#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 34513
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 17
_Spectral_peak_list.Experiment_name '3D 1H-15N NOESY-HSQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
HC C H
None
{4261.36 } {15290.52 } {8547.01 }
{949.7959 } {238.8346 } {949.7959 }
HC.L HC.P HC.W HC.B C.L C.P C.W C.B H.L H.P H.W H.B vol int stat flag0
14 {162.HB#} 1.310 0.050 0.050 {162.CB} 19.270 0.050 0.050 {160.HB} 4.196 0.050 0.050 806566.31250 61984.25000 1 0
16 {161.HB1} 3.799 0.050 0.050 {161.CB} 63.707 0.050 0.050 {161.HA} 4.396 0.050 0.050 888132.75000 80767.15625 1 0
17 {161.HB1} 3.799 0.050 0.050 {161.CB} 64.005 0.050 0.050 {162.HA} 4.280 0.050 0.050 641223.21875 54078.18750 1 0
18 {161.HB1} 3.795 0.050 0.050 {161.CB} 63.723 0.050 0.050 {160.HG2#} 1.178 0.050 0.050 783514.21875 52011.25000 1 0
20 {160.HG2#} 1.148 0.050 0.050 {160.CG2} 21.566 0.050 0.050 {159.HB2} 1.920 0.050 0.050 888548.12500 65820.81250 1 0
23 {160.HG2#} 1.152 0.050 0.050 {160.CG2} 21.423 0.050 0.050 {160.HA} 4.299 0.050 0.050 2311389.46875 83688.84375 1 0
24 {160.HG2#} 1.150 0.050 0.050 {160.CG2} 21.423 0.050 0.050 {160.HB} 4.195 0.050 0.050 2012294.90625 131582.03125 1 0
28 {127.HG2#} 1.151 0.050 0.050 {127.CG2} 21.714 0.050 0.050 {128.HA} 4.628 0.050 0.050 592179.28125 49805.34375 1 0
29 {127.HG2#} 1.148 0.050 0.050 {127.CG2} 21.777 0.050 0.050 {129.HA} 4.482 0.050 0.050 467550.37500 48980.06250 1 0
38 {159.HD2} 3.598 0.050 0.050 {159.CD} 49.682 0.050 0.050 {158.HA2} 4.064 0.050 0.050 753907.62500 72165.65625 1 0
39 {159.HD2} 3.597 0.050 0.050 {159.CD} 49.682 0.050 0.050 {158.HA1} 4.032 0.050 0.050 834002.75000 69376.87500 1 0
40 {159.HD1} 3.575 0.050 0.050 {159.CD} 49.682 0.050 0.050 {158.HA2} 4.062 0.050 0.050 793365.12500 56093.68750 1 0
41 {159.HD1} 3.575 0.050 0.050 {159.CD} 49.682 0.050 0.050 {158.HA1} 4.032 0.050 0.050 985747.12500 58430.93750 1 0
42 {159.HD2} 3.598 0.050 0.050 {159.CD} 49.674 0.050 0.050 {159.HG#} 1.978 0.050 0.050 955202.40625 54821.03125 1 0
54 {156.HB#} 3.810 0.050 0.050 {156.CB} 63.731 0.050 0.050 {152.HD1#} 0.700 0.050 0.050 4697713.90625 339453.90625 1 0
55 {156.HB#} 3.806 0.050 0.050 {156.CB} 63.679 0.050 0.050 {153.HG1#} 0.855 0.050 0.050 506410.40625 54854.90625 1 0
56 {156.HB#} 3.809 0.050 0.050 {156.CB} 63.734 0.050 0.050 {151.HG2#} 1.192 0.050 0.050 813166.56250 67610.15625 1 0
57 {156.HB2} 3.810 0.050 0.050 {156.CB} 63.730 0.050 0.050 {155.HB#} 1.405 0.050 0.050 1918057.84375 147130.75000 1 0
58 {156.HB#} 3.810 0.050 0.050 {156.CB} 63.673 0.050 0.050 {157.HB#} 1.371 0.050 0.050 1256185.50000 105086.93750 1 0
60 {156.HB#} 3.821 0.050 0.050 {156.CB} 63.646 0.050 0.050 {152.HG} 1.704 0.050 0.050 540805.46875 49479.09375 1 0
61 {156.HB#} 3.806 0.050 0.050 {156.CB} 63.736 0.050 0.050 {159.HB2} 1.888 0.050 0.050 555862.18750 52681.59375 1 0
62 {156.HB#} 3.811 0.050 0.050 {156.CB} 63.719 0.050 0.050 {156.HA} 4.294 0.050 0.050 1279703.93750 98592.78125 1 0
63 {156.HB#} 3.813 0.050 0.050 {156.CB} 63.673 0.050 0.050 {157.HA} 4.315 0.050 0.050 1262881.78125 89843.87500 1 0
66 {155.HB#} 1.405 0.050 0.050 {155.CB} 18.447 0.050 0.050 {156.HA} 4.294 0.050 0.050 1542282.93750 84662.40625 1 0
67 {155.HB#} 1.404 0.050 0.050 {155.CB} 18.447 0.050 0.050 {155.HA} 4.159 0.050 0.050 3267149.18750 166017.56250 1 0
68 {155.HB#} 1.405 0.050 0.050 {155.CB} 18.447 0.050 0.050 {152.HA} 4.029 0.050 0.050 2526109.46875 132413.84375 1 0
69 {155.HB#} 1.408 0.050 0.050 {155.CB} 18.421 0.050 0.050 {156.HB#} 3.800 0.050 0.050 2260320.56250 121924.40625 1 0
70 {155.HB#} 1.404 0.050 0.050 {155.CB} 18.447 0.050 0.050 {151.HA} 3.830 0.050 0.050 2239819.09375 102532.18750 1 0
71 {155.HB#} 1.413 0.050 0.050 {155.CB} 18.430 0.050 0.050 {153.HA} 3.600 0.050 0.050 1075315.93750 63907.56250 1 0
73 {155.HB#} 1.410 0.050 0.050 {155.CB} 18.612 0.050 0.050 {153.HG1#} 0.869 0.050 0.050 805428.93750 52248.34375 1 0
74 {155.HB#} 1.406 0.050 0.050 {155.CB} 18.447 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 1354822.84375 72663.93750 1 0
75 {155.HB#} 1.406 0.050 0.050 {155.CB} 18.447 0.050 0.050 {152.HD2#} 0.723 0.050 0.050 1239066.40625 62639.15625 1 0
76 {153.HG1#} 0.823 0.050 0.050 {153.CG1} 21.297 0.050 0.050 {154.HB} 1.989 0.050 0.050 1642770.71875 92842.53125 1 0
78 {154.HG1#} 0.819 0.050 0.050 {154.CG1} 21.043 0.050 0.050 {154.HA} 3.710 0.050 0.050 1356603.75000 61223.62500 1 0
79 {154.HG1#} 0.821 0.050 0.050 {154.CG1} 21.043 0.050 0.050 {156.HB#} 3.803 0.050 0.050 1130977.56250 64327.93750 1 0
84 {154.HG2#} 0.813 0.050 0.050 {154.CG2} 21.681 0.050 0.050 {154.HB} 1.981 0.050 0.050 1669327.68750 92673.15625 1 0
86 {154.HG2#} 0.812 0.050 0.050 {154.CG2} 21.729 0.050 0.050 {154.HA} 3.726 0.050 0.050 1853405.09375 102158.93750 1 0
88 {154.HB} 1.980 0.050 0.050 {154.CB} 31.532 0.050 0.050 {153.HG1#} 0.843 0.050 0.050 1426026.43750 72283.53125 1 0
89 {154.HB} 1.988 0.050 0.050 {154.CB} 31.482 0.050 0.050 {154.HG1#} 0.823 0.050 0.050 1359022.31250 65341.53125 1 0
90 {154.HA} 3.718 0.050 0.050 {154.CA} 65.131 0.050 0.050 {154.HG1#} 0.819 0.050 0.050 1061359.50000 62474.71875 1 0
93 {153.HG2#} 0.948 0.050 0.050 {153.CG2} 22.815 0.050 0.050 {152.HD2#} 0.733 0.050 0.050 10993801.87500 507953.00000 1 0
95 {153.HG2#} 0.946 0.050 0.050 {153.CG2} 22.815 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 10993801.87500 719210.12500 1 0
96 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.771 0.050 0.050 {151.HG2#} 1.195 0.050 0.050 3237897.00000 216225.81250 1 0
97 {153.HG2#} 0.946 0.050 0.050 {153.CG2} 22.709 0.050 0.050 {157.HB#} 1.389 0.050 0.050 1189733.18750 86607.25000 1 0
99 {153.HG2#} 0.955 0.050 0.050 {153.CG2} 22.804 0.050 0.050 {152.HB2} 1.520 0.050 0.050 833404.90625 61643.12500 1 0
100 {153.HG2#} 0.947 0.050 0.050 {153.CG2} 22.787 0.050 0.050 {152.HG} 1.686 0.050 0.050 3496315.21875 246815.40625 1 0
101 {153.HG2#} 0.947 0.050 0.050 {153.CG2} 22.791 0.050 0.050 {148.HE#} 1.811 0.050 0.050 7635091.65625 475012.78125 1 0
102 {153.HG2#} 0.947 0.050 0.050 {153.CG2} 22.815 0.050 0.050 {152.HB1} 1.847 0.050 0.050 5692753.21875 326309.34375 1 0
104 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.709 0.050 0.050 {154.HB} 1.978 0.050 0.050 502716.68750 50734.34375 1 0
105 {153.HG2#} 0.950 0.050 0.050 {153.CG2} 22.788 0.050 0.050 {148.HB2} 2.180 0.050 0.050 1659377.78125 105914.28125 1 0
107 {153.HG2#} 0.951 0.050 0.050 {153.CG2} 22.884 0.050 0.050 {148.HG1} 2.469 0.050 0.050 1943765.50000 110598.84375 1 0
108 {153.HG2#} 0.948 0.050 0.050 {153.CG2} 22.741 0.050 0.050 {148.HG2} 2.712 0.050 0.050 1334888.53125 88750.09375 1 0
111 {153.HG2#} 0.954 0.050 0.050 {153.CG2} 22.810 0.050 0.050 {153.HA} 3.618 0.050 0.050 869103.93750 53639.65625 1 0
114 {153.HG2#} 0.950 0.050 0.050 {153.CG2} 22.825 0.050 0.050 {152.HA} 4.010 0.050 0.050 1037380.34375 60677.90625 1 0
115 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.825 0.050 0.050 {148.HA} 4.191 0.050 0.050 2874601.65625 173331.25000 1 0
116 {153.HG2#} 0.947 0.050 0.050 {153.CG2} 22.762 0.050 0.050 {151.HB} 4.369 0.050 0.050 1862810.81250 125763.56250 1 0
119 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.253 0.050 0.050 {151.HB} 4.379 0.050 0.050 1743798.90625 106711.40625 1 0
121 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.299 0.050 0.050 {148.HA} 4.183 0.050 0.050 1670283.81250 93606.28125 1 0
125 {153.HG1#} 0.861 0.050 0.050 {153.CG1} 21.244 0.050 0.050 {153.HA} 3.610 0.050 0.050 965423.93750 64093.59375 1 0
126 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.271 0.050 0.050 {148.HG2} 2.705 0.050 0.050 818035.09375 48859.65625 1 0
127 {154.HG2#} 0.859 0.050 0.050 {154.CG2} 21.627 0.050 0.050 {148.HG1} 2.480 0.050 0.050 988972.53125 52749.34375 1 0
128 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.153 0.050 0.050 {153.HB} 2.134 0.050 0.050 1438321.09375 79604.18750 1 0
129 {153.HG1#} 0.857 0.050 0.050 {153.CG1} 21.235 0.050 0.050 {148.HE#} 1.824 0.050 0.050 3324242.21875 173906.43750 1 0
130 {153.HG1#} 0.857 0.050 0.050 {153.CG1} 21.167 0.050 0.050 {152.HG} 1.685 0.050 0.050 1191893.71875 64159.00000 1 0
132 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.343 0.050 0.050 {157.HB#} 1.368 0.050 0.050 904544.06250 59781.59375 1 0
133 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.236 0.050 0.050 {151.HG2#} 1.198 0.050 0.050 4934870.03125 281083.21875 1 0
136 {153.HB} 2.144 0.050 0.050 {153.CB} 31.676 0.050 0.050 {148.HE#} 1.811 0.050 0.050 1009825.71875 53331.31250 1 0
137 {153.HA} 3.588 0.050 0.050 {153.CA} 66.012 0.050 0.050 {152.HD#} 0.706 0.050 0.050 3161178.65625 175554.18750 1 0
138 {152.HG} 1.695 0.050 0.050 {152.CG} 26.713 0.050 0.050 {152.HD2#} 0.725 0.050 0.050 2145410.75000 109112.65625 1 0
139 {152.HG} 1.693 0.050 0.050 {152.CG} 26.565 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 1877918.71875 99526.34375 1 0
141 {152.HG} 1.694 0.050 0.050 {152.CG} 26.565 0.050 0.050 {153.HG2#} 0.948 0.050 0.050 1263816.09375 60312.75000 1 0
144 {152.HD2#} 0.723 0.050 0.050 {152.CD2} 25.662 0.050 0.050 {155.HB#} 1.405 0.050 0.050 942697.59375 55523.09375 1 0
145 {152.HD2#} 0.723 0.050 0.050 {152.CD2} 25.647 0.050 0.050 {152.HB2} 1.505 0.050 0.050 2644253.78125 169163.28125 1 0
146 {152.HD2#} 0.725 0.050 0.050 {152.CD2} 25.677 0.050 0.050 {152.HG} 1.698 0.050 0.050 3333112.25000 243891.40625 1 0
147 {152.HD2#} 0.725 0.050 0.050 {152.CD2} 25.617 0.050 0.050 {152.HB1} 1.836 0.050 0.050 3040018.18750 206337.87500 1 0
148 {152.HD2#} 0.718 0.050 0.050 {152.CD2} 25.655 0.050 0.050 {148.HB2} 2.164 0.050 0.050 943544.90625 74258.68750 1 0
149 {152.HD2#} 0.723 0.050 0.050 {152.CD2} 25.617 0.050 0.050 {153.HA} 3.597 0.050 0.050 2022833.81250 134844.15625 1 0
152 {152.HD2#} 0.721 0.050 0.050 {152.CD2} 25.662 0.050 0.050 {156.HB#} 3.808 0.050 0.050 1031214.34375 66915.28125 1 0
153 {152.HD2#} 0.724 0.050 0.050 {152.CD2} 25.641 0.050 0.050 {149.HA} 3.927 0.050 0.050 2012173.21875 131862.00000 1 0
154 {152.HD2#} 0.718 0.050 0.050 {152.CD2} 25.662 0.050 0.050 {152.HA} 4.031 0.050 0.050 1770795.18750 116437.15625 1 0
155 {152.HD2#} 0.721 0.050 0.050 {152.CD2} 25.592 0.050 0.050 {155.HA} 4.164 0.050 0.050 589150.46875 55913.18750 1 0
157 {152.HD1#} 0.697 0.050 0.050 {152.CD1} 23.210 0.050 0.050 {153.HG2#} 0.935 0.050 0.050 5994731.40625 370753.59375 1 0
160 {152.HD1#} 0.698 0.050 0.050 {152.CD1} 23.205 0.050 0.050 {152.HB2} 1.516 0.050 0.050 2204031.96875 147717.71875 1 0
161 {152.HD1#} 0.701 0.050 0.050 {152.CD1} 23.162 0.050 0.050 {155.HB#} 1.409 0.050 0.050 1137218.03125 73627.78125 1 0
162 {152.HD1#} 0.695 0.050 0.050 {152.CD1} 23.188 0.050 0.050 {152.HG} 1.698 0.050 0.050 2354362.43750 157802.34375 1 0
163 {152.HD1#} 0.696 0.050 0.050 {152.CD1} 23.195 0.050 0.050 {152.HB1} 1.843 0.050 0.050 2454324.09375 161515.03125 1 0
164 {152.HD1#} 0.702 0.050 0.050 {152.CD1} 23.304 0.050 0.050 {153.HB} 2.148 0.050 0.050 877627.71875 56066.87500 1 0
167 {152.HD1#} 0.697 0.050 0.050 {152.CD1} 23.168 0.050 0.050 {153.HA} 3.594 0.050 0.050 7572777.62500 515223.37500 1 0
168 {152.HD1#} 0.697 0.050 0.050 {152.CD1} 23.163 0.050 0.050 {156.HB#} 3.816 0.050 0.050 3969115.62500 267891.18750 1 0
169 {152.HD1#} 0.696 0.050 0.050 {152.CD1} 23.217 0.050 0.050 {152.HA} 4.017 0.050 0.050 2486282.00000 156803.06250 1 0
172 {152.HB1} 1.847 0.050 0.050 {152.CB} 42.237 0.050 0.050 {152.HD2#} 0.722 0.050 0.050 2021524.37500 104774.81250 1 0
177 {152.HB2} 1.503 0.050 0.050 {152.CB} 42.251 0.050 0.050 {152.HD2#} 0.723 0.050 0.050 2138119.12500 120139.34375 1 0
178 {152.HB2} 1.503 0.050 0.050 {152.CB} 42.251 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 2078065.25000 116794.68750 1 0
183 {151.HG2#} 1.193 0.050 0.050 {151.CG2} 21.806 0.050 0.050 {152.HD2#} 0.722 0.050 0.050 694237.15625 52003.90625 1 0
185 {151.HG2#} 1.190 0.050 0.050 {151.CG2} 21.865 0.050 0.050 {154.HG2#} 0.806 0.050 0.050 2584415.81250 132850.31250 1 0
187 {151.HG2#} 1.190 0.050 0.050 {151.CG2} 21.865 0.050 0.050 {153.HG1#} 0.858 0.050 0.050 5476350.68750 316305.81250 1 0
188 {151.HG2#} 1.190 0.050 0.050 {151.CG2} 21.865 0.050 0.050 {153.HG2#} 0.946 0.050 0.050 3202963.65625 181964.21875 1 0
189 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.781 0.050 0.050 {155.HB#} 1.410 0.050 0.050 1200732.93750 84577.96875 1 0
192 {151.HG2#} 1.188 0.050 0.050 {151.CG2} 21.729 0.050 0.050 {153.HA} 3.618 0.050 0.050 955251.15625 65538.18750 1 0
193 {151.HG2#} 1.190 0.050 0.050 {151.CG2} 21.797 0.050 0.050 {156.HB#} 3.810 0.050 0.050 1527784.37500 93319.56250 1 0
195 {151.HG2#} 1.192 0.050 0.050 {151.CG2} 21.842 0.050 0.050 {151.HB} 4.361 0.050 0.050 1856246.59375 117127.71875 1 0
196 {150.HB#} 3.210 0.050 0.050 {150.CB} 29.283 0.050 0.050 {148.HE#} 1.809 0.050 0.050 1120343.53125 61847.87500 1 0
197 {150.HA} 4.142 0.050 0.050 {150.CA} 60.443 0.050 0.050 {148.HE#} 1.801 0.050 0.050 1019153.28125 57280.75000 1 0
198 {149.HG} 1.717 0.050 0.050 {149.CG} 26.793 0.050 0.050 {149.HD2#} 0.864 0.050 0.050 1155132.81250 51972.75000 1 0
199 {149.HG} 1.716 0.050 0.050 {149.CG} 26.793 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 1664691.21875 77197.56250 1 0
200 {149.HD2#} 0.866 0.050 0.050 {149.CD2} 27.812 0.050 0.050 {149.HD1#} 0.741 0.050 0.050 11720096.59375 718464.37500 1 0
202 {149.HD2#} 0.864 0.050 0.050 {149.CD2} 27.860 0.050 0.050 {149.HG} 1.734 0.050 0.050 3277018.84375 180780.59375 1 0
203 {149.HD2#} 0.867 0.050 0.050 {149.CD2} 27.697 0.050 0.050 {146.HB1} 1.834 0.050 0.050 2726297.21875 174431.50000 1 0
204 {149.HD2#} 0.865 0.050 0.050 {149.CD2} 27.719 0.050 0.050 {145.HB} 1.983 0.050 0.050 1289380.68750 65295.59375 1 0
205 {149.HD2#} 0.871 0.050 0.050 {149.CD2} 27.702 0.050 0.050 {148.HB2} 2.184 0.050 0.050 1296543.56250 68741.62500 1 0
206 {149.HD2#} 0.867 0.050 0.050 {149.CD2} 27.763 0.050 0.050 {145.HA} 3.408 0.050 0.050 2812857.15625 167038.40625 1 0
208 {149.HD2#} 0.859 0.050 0.050 {149.CD2} 27.734 0.050 0.050 {148.HA} 4.192 0.050 0.050 916901.59375 52890.31250 1 0
212 {149.HD1#} 0.740 0.050 0.050 {149.CD1} 25.677 0.050 0.050 {152.HB2} 1.504 0.050 0.050 1716040.40625 115885.65625 1 0
213 {149.HD1#} 0.739 0.050 0.050 {149.CD1} 25.677 0.050 0.050 {146.HB2} 1.527 0.050 0.050 1779566.65625 114885.53125 1 0
214 {149.HD1#} 0.743 0.050 0.050 {149.CD1} 25.661 0.050 0.050 {149.HG} 1.716 0.050 0.050 4597984.09375 318507.25000 1 0
215 {149.HD1#} 0.740 0.050 0.050 {149.CD1} 25.677 0.050 0.050 {148.HB1} 1.784 0.050 0.050 3147083.40625 202333.71875 1 0
216 {149.HD1#} 0.739 0.050 0.050 {149.CD1} 25.677 0.050 0.050 {146.HB1} 1.836 0.050 0.050 2722650.59375 174715.78125 1 0
217 {149.HD1#} 0.744 0.050 0.050 {149.CD1} 25.671 0.050 0.050 {148.HB2} 2.206 0.050 0.050 1036742.46875 80284.59375 1 0
218 {149.HD1#} 0.741 0.050 0.050 {149.CD1} 25.667 0.050 0.050 {145.HA} 3.402 0.050 0.050 1588093.21875 112082.84375 1 0
219 {149.HD1#} 0.740 0.050 0.050 {149.CD1} 25.677 0.050 0.050 {149.HA} 3.935 0.050 0.050 2564923.37500 170017.62500 1 0
220 {149.HB1} 1.878 0.050 0.050 {149.CB} 42.156 0.050 0.050 {149.HD1#} 0.740 0.050 0.050 1473064.71875 77570.90625 1 0
221 {149.HB1} 1.874 0.050 0.050 {149.CB} 42.135 0.050 0.050 {148.HE#} 1.805 0.050 0.050 925651.53125 55280.53125 1 0
222 {149.HB2} 1.490 0.050 0.050 {149.CB} 41.961 0.050 0.050 {152.HD2#} 0.707 0.050 0.050 1558501.43750 83644.75000 1 0
226 {149.HB2} 1.486 0.050 0.050 {149.CB} 41.954 0.050 0.050 {148.HE#} 1.817 0.050 0.050 1319725.93750 73515.06250 1 0
228 {149.HB2} 1.490 0.050 0.050 {149.CB} 41.961 0.050 0.050 {152.HB1} 1.847 0.050 0.050 1165241.21875 62256.84375 1 0
229 {149.HB2} 1.491 0.050 0.050 {149.CB} 41.961 0.050 0.050 {148.HB1} 1.786 0.050 0.050 1194755.96875 59466.31250 1 0
231 {149.HA} 3.937 0.050 0.050 {149.CA} 58.011 0.050 0.050 {149.HD1#} 0.740 0.050 0.050 1551129.28125 80770.84375 1 0
232 {149.HA} 3.943 0.050 0.050 {149.CA} 58.011 0.050 0.050 {152.HD2#} 0.719 0.050 0.050 1461309.78125 85873.75000 1 0
241 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.616 0.050 0.050 {145.HG2#} 0.748 0.050 0.050 5584795.31250 422071.53125 1 0
243 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.616 0.050 0.050 {152.HD2#} 0.710 0.050 0.050 4260514.03125 235918.56250 1 0
244 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.622 0.050 0.050 {149.HD2#} 0.868 0.050 0.050 31394194.34375 2445570.50000 1 0
245 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.632 0.050 0.050 {153.HG2#} 0.969 0.050 0.050 10047316.06250 823126.37500 1 0
250 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.660 0.050 0.050 {149.HB2} 1.483 0.050 0.050 4740922.68750 378298.56250 1 0
252 {148.HE#} 1.816 0.050 0.050 {148.CE} 17.616 0.050 0.050 {146.HB2} 1.527 0.050 0.050 3871270.03125 270590.15625 1 0
253 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.616 0.050 0.050 {153.HB} 2.151 0.050 0.050 4785902.46875 351006.00000 1 0
255 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.616 0.050 0.050 {144.HG2} 2.109 0.050 0.050 4785902.46875 321772.28125 1 0
256 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.616 0.050 0.050 {144.HB2} 2.190 0.050 0.050 2367332.65625 162299.28125 1 0
258 {148.HE#} 1.813 0.050 0.050 {148.CE} 17.634 0.050 0.050 {144.HG1} 2.352 0.050 0.050 892503.18750 64638.71875 1 0
259 {148.HE#} 1.817 0.050 0.050 {148.CE} 17.616 0.050 0.050 {148.HG1} 2.472 0.050 0.050 803667.21875 50968.25000 1 0
260 {148.HE#} 1.818 0.050 0.050 {148.CE} 17.678 0.050 0.050 {148.HG2} 2.728 0.050 0.050 706938.25000 50524.68750 1 0
261 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.615 0.050 0.050 {150.HB#} 3.219 0.050 0.050 3137341.31250 242918.03125 1 0
262 {148.HE#} 1.816 0.050 0.050 {148.CE} 17.654 0.050 0.050 {145.HA} 3.397 0.050 0.050 495573.37500 51475.56250 1 0
263 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.651 0.050 0.050 {153.HA} 3.596 0.050 0.050 1523307.56250 110583.93750 1 0
264 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.642 0.050 0.050 {151.HA} 3.828 0.050 0.050 4031397.46875 282280.50000 1 0
265 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.616 0.050 0.050 {147.HA2} 3.936 0.050 0.050 1372221.25000 88301.96875 1 0
266 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.616 0.050 0.050 {144.HA} 4.030 0.050 0.050 1987120.40625 145515.50000 1 0
267 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.610 0.050 0.050 {150.HA} 4.138 0.050 0.050 12360293.00000 1007994.37500 1 0
268 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.616 0.050 0.050 {148.HA} 4.177 0.050 0.050 5886265.87500 364566.09375 1 0
275 {146.HG} 1.526 0.050 0.050 {146.CG} 27.762 0.050 0.050 {145.HD1#} 0.825 0.050 0.050 1009091.25000 55682.71875 1 0
277 {146.HD2#} 0.858 0.050 0.050 {146.CD2} 25.057 0.050 0.050 {142.HB2} 1.160 0.050 0.050 402615.78125 49950.93750 1 0
278 {146.HD2#} 0.857 0.050 0.050 {146.CD2} 25.124 0.050 0.050 {146.HG} 1.516 0.050 0.050 5893535.84375 384161.09375 1 0
281 {146.HD2#} 0.856 0.050 0.050 {146.CD2} 25.143 0.050 0.050 {146.HB1} 1.811 0.050 0.050 12052177.40625 749869.62500 1 0
282 {146.HD2#} 0.858 0.050 0.050 {146.CD2} 25.184 0.050 0.050 {145.HB} 1.967 0.050 0.050 3289092.59375 213329.65625 1 0
284 {146.HD2#} 0.856 0.050 0.050 {146.CD2} 25.057 0.050 0.050 {142.HB1} 2.200 0.050 0.050 7194994.34375 454461.59375 1 0
285 {146.HD2#} 0.857 0.050 0.050 {146.CD2} 25.078 0.050 0.050 {144.HG1} 2.370 0.050 0.050 2200807.09375 140011.96875 1 0
286 {146.HD2#} 0.852 0.050 0.050 {146.CD2} 25.207 0.050 0.050 {148.HG1} 2.497 0.050 0.050 675042.78125 48688.78125 1 0
289 {146.HD2#} 0.857 0.050 0.050 {146.CD2} 25.117 0.050 0.050 {141.HE1} 2.795 0.050 0.050 3226617.90625 207828.56250 1 0
290 {146.HD2#} 0.856 0.050 0.050 {146.CD2} 25.122 0.050 0.050 {145.HA} 3.407 0.050 0.050 4103483.68750 259085.68750 1 0
291 {146.HD2#} 0.856 0.050 0.050 {146.CD2} 25.141 0.050 0.050 {146.HA} 3.848 0.050 0.050 1471612.75000 92361.62500 1 0
293 {146.HD2#} 0.857 0.050 0.050 {146.CD2} 25.057 0.050 0.050 {142.HA} 3.976 0.050 0.050 1236300.18750 87417.59375 1 0
294 {146.HD2#} 0.856 0.050 0.050 {146.CD2} 25.057 0.050 0.050 {143.HB2} 4.032 0.050 0.050 2112588.15625 131968.53125 1 0
295 {146.HD2#} 0.857 0.050 0.050 {146.CD2} 25.107 0.050 0.050 {143.HA} 4.158 0.050 0.050 5434488.84375 354831.12500 1 0
296 {146.HB1} 1.836 0.050 0.050 {146.CB} 41.977 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 1747581.87500 92804.34375 1 0
301 {146.HB2} 1.527 0.050 0.050 {146.CB} 41.947 0.050 0.050 {145.HG1#} 0.687 0.050 0.050 1184926.03125 64186.18750 1 0
302 {146.HB2} 1.533 0.050 0.050 {146.CB} 41.947 0.050 0.050 {149.HD1#} 0.726 0.050 0.050 903505.68750 54136.00000 1 0
307 {145.HG2#} 0.754 0.050 0.050 {145.CG2} 16.624 0.050 0.050 {142.HB2} 1.177 0.050 0.050 553791.40625 47710.53125 1 0
309 {145.HG2#} 0.751 0.050 0.050 {145.CG2} 16.745 0.050 0.050 {149.HB2} 1.491 0.050 0.050 1287913.12500 84004.93750 1 0
310 {145.HG2#} 0.750 0.050 0.050 {145.CG2} 16.745 0.050 0.050 {146.HB2} 1.526 0.050 0.050 1345282.46875 85784.68750 1 0
311 {145.HG2#} 0.756 0.050 0.050 {145.CG2} 16.717 0.050 0.050 {149.HG} 1.721 0.050 0.050 1069966.62500 66754.00000 1 0
315 {145.HG2#} 0.747 0.050 0.050 {145.CG2} 16.745 0.050 0.050 {149.HB1} 1.878 0.050 0.050 1126282.06250 62539.87500 1 0
317 {145.HG2#} 0.747 0.050 0.050 {145.CG2} 16.886 0.050 0.050 {145.HB} 1.995 0.050 0.050 1309447.25000 71796.18750 1 0
319 {145.HG2#} 0.746 0.050 0.050 {145.CG2} 16.771 0.050 0.050 {145.HA} 3.426 0.050 0.050 1050114.62500 72693.34375 1 0
321 {145.HG2#} 0.747 0.050 0.050 {145.CG2} 16.723 0.050 0.050 {146.HA} 3.828 0.050 0.050 829474.21875 53897.40625 1 0
322 {145.HG2#} 0.751 0.050 0.050 {145.CG2} 16.684 0.050 0.050 {142.HA} 4.004 0.050 0.050 720429.34375 49721.84375 1 0
329 {145.HD1#} 0.817 0.050 0.050 {145.CD1} 15.311 0.050 0.050 {141.HD1} 1.483 0.050 0.050 1283121.62500 76464.59375 1 0
331 {145.HD1#} 0.818 0.050 0.050 {145.CD1} 15.311 0.050 0.050 {141.HD2} 1.535 0.050 0.050 1818198.50000 97009.46875 1 0
337 {145.HD1#} 0.820 0.050 0.050 {145.CD1} 15.228 0.050 0.050 {145.HB} 1.989 0.050 0.050 2416860.87500 121006.59375 1 0
338 {145.HD1#} 0.819 0.050 0.050 {145.CD1} 15.311 0.050 0.050 {142.HG} 1.951 0.050 0.050 2045161.96875 95954.78125 1 0
341 {145.HD1#} 0.820 0.050 0.050 {145.CD1} 15.259 0.050 0.050 {145.HA} 3.442 0.050 0.050 953797.34375 52897.78125 1 0
342 {145.HD1#} 0.825 0.050 0.050 {145.CD1} 15.266 0.050 0.050 {146.HA} 3.831 0.050 0.050 821531.81250 58729.87500 1 0
345 {145.HD1#} 0.821 0.050 0.050 {145.CD1} 15.306 0.050 0.050 {142.HA} 3.988 0.050 0.050 1877719.00000 90468.65625 1 0
346 {145.HD1#} 0.815 0.050 0.050 {145.CD1} 15.185 0.050 0.050 {141.HA} 4.166 0.050 0.050 921128.93750 54133.71875 1 0
349 {145.HB} 2.000 0.050 0.050 {145.CB} 38.130 0.050 0.050 {145.HD1#} 0.803 0.050 0.050 980378.71875 52145.18750 1 0
350 {145.HA} 3.404 0.050 0.050 {145.CA} 65.832 0.050 0.050 {145.HG2#} 0.746 0.050 0.050 1067426.28125 57121.31250 1 0
351 {145.HA} 3.406 0.050 0.050 {145.CA} 65.786 0.050 0.050 {146.HD2#} 0.856 0.050 0.050 2467150.37500 137602.62500 1 0
356 {145.HA} 3.405 0.050 0.050 {145.CA} 65.813 0.050 0.050 {145.HD1#} 0.816 0.050 0.050 1360682.62500 59565.75000 1 0
359 {144.HG1} 2.368 0.050 0.050 {144.CG} 36.102 0.050 0.050 {146.HD2#} 0.852 0.050 0.050 1440558.34375 77486.18750 1 0
361 {144.HG2} 2.121 0.050 0.050 {144.CG} 36.153 0.050 0.050 {146.HD2#} 0.855 0.050 0.050 1979739.62500 121075.12500 1 0
362 {144.HB2} 2.191 0.050 0.050 {144.CB} 29.636 0.050 0.050 {146.HD2#} 0.861 0.050 0.050 3541407.37500 204015.56250 1 0
367 {144.HB1} 2.126 0.050 0.050 {144.CB} 29.656 0.050 0.050 {146.HD2#} 0.848 0.050 0.050 877940.18750 57489.65625 1 0
369 {142.HD2#} 0.947 0.050 0.050 {142.CD2} 29.041 0.050 0.050 {145.HG1#} 0.710 0.050 0.050 2489124.65625 148820.43750 1 0
371 {142.HD2#} 0.944 0.050 0.050 {142.CD2} 28.937 0.050 0.050 {146.HG} 1.517 0.050 0.050 952749.50000 60614.59375 1 0
372 {142.HD2#} 0.948 0.050 0.050 {142.CD2} 28.937 0.050 0.050 {141.HB2} 1.590 0.050 0.050 900005.09375 66523.21875 1 0
375 {142.HD2#} 0.944 0.050 0.050 {142.CD2} 29.139 0.050 0.050 {{148.HB1 148.HE#}} 1.797 0.050 {?} 1168391.12500 76049.46875 {?} 0
376 {142.HD2#} 0.946 0.050 0.050 {142.CD2} 29.076 0.050 0.050 {138.HB} 1.958 0.050 0.050 1602044.93750 98247.56250 1 0
378 {142.HD2#} 0.950 0.050 0.050 {142.CD2} 28.937 0.050 0.050 {145.HB} 1.999 0.050 0.050 1341601.62500 76983.15625 1 0
379 {142.HD2#} 0.946 0.050 0.050 {142.CD2} 29.071 0.050 0.050 {141.HB1} 2.095 0.050 0.050 1067368.43750 69628.96875 1 0
380 {142.HD2#} 0.946 0.050 0.050 {142.CD2} 28.971 0.050 0.050 {138.HA} 3.494 0.050 0.050 2836224.81250 162953.46875 1 0
381 {142.HD2#} 0.946 0.050 0.050 {142.CD2} 28.937 0.050 0.050 {139.HA} 4.192 0.050 0.050 1063362.90625 57516.50000 1 0
384 {142.HD1#} 0.687 0.050 0.050 {142.CD1} 24.444 0.050 0.050 {142.HD2#} 0.933 0.050 0.050 2860302.84375 141046.31250 1 0
387 {142.HD1#} 0.689 0.050 0.050 {142.CD1} 24.624 0.050 0.050 {141.HB2} 1.583 0.050 0.050 707421.37500 49073.28125 1 0
388 {142.HD1#} 0.689 0.050 0.050 {142.CD1} 24.655 0.050 0.050 {141.HG2} 1.762 0.050 0.050 689611.06250 49511.53125 1 0
390 {142.HD1#} 0.683 0.050 0.050 {142.CD1} 24.405 0.050 0.050 {138.HB} 1.963 0.050 0.050 1611366.65625 77355.46875 1 0
391 {142.HD1#} 0.683 0.050 0.050 {142.CD1} 24.405 0.050 0.050 {145.HB} 1.999 0.050 0.050 1340306.75000 57151.93750 1 0
394 {142.HD1#} 0.685 0.050 0.050 {142.CD1} 24.421 0.050 0.050 {142.HA} 3.973 0.050 0.050 1462009.75000 69664.43750 1 0
396 {142.HA} 3.981 0.050 0.050 {142.CA} 58.176 0.050 0.050 {145.HG2#} 0.747 0.050 0.050 1034430.43750 51926.15625 1 0
401 {141.HE2} 2.836 0.050 0.050 {141.CE} 41.782 0.050 0.050 {146.HD2#} 0.858 0.050 0.050 2012875.87500 118916.68750 1 0
407 {141.HE1} 2.772 0.050 0.050 {141.CE} 41.753 0.050 0.050 {146.HD2#} 0.868 0.050 0.050 1735929.00000 99865.18750 1 0
410 {141.HD2} 1.532 0.050 0.050 {141.CD} 29.538 0.050 0.050 {146.HD2#} 0.854 0.050 0.050 1329118.90625 62904.90625 1 0
411 {141.HD1} 1.482 0.050 0.050 {141.CD} 29.463 0.050 0.050 {146.HD2#} 0.866 0.050 0.050 1388349.87500 73617.15625 1 0
415 {138.HG2#} 0.810 0.050 0.050 {138.CG2} 16.319 0.050 0.050 {138.HB} 1.966 0.050 0.050 1586339.03125 64470.25000 1 0
421 {138.HD1#} 0.802 0.050 0.050 {138.CD1} 14.666 0.050 0.050 {135.HG} 1.845 0.050 0.050 1058001.65625 60428.18750 1 0
422 {138.HD1#} 0.814 0.050 0.050 {138.CD1} 14.666 0.050 0.050 {137.HB1} 1.911 0.050 0.050 1338964.06250 61553.28125 1 0
423 {138.HD1#} 0.801 0.050 0.050 {138.CD1} 14.666 0.050 0.050 {137.HB2} 1.988 0.050 0.050 1950588.68750 96398.40625 1 0
424 {138.HD1#} 0.804 0.050 0.050 {138.CD1} 14.666 0.050 0.050 {135.HB1} 1.964 0.050 0.050 1994010.09375 100905.56250 1 0
425 {138.HD1#} 0.805 0.050 0.050 {138.CD1} 14.666 0.050 0.050 {135.HA} 3.988 0.050 0.050 1891617.25000 85982.59375 1 0
426 {138.HD1#} 0.805 0.050 0.050 {138.CD1} 14.666 0.050 0.050 {134.HA} 3.956 0.050 0.050 1794156.50000 99352.12500 1 0
440 {135.HD2#} 0.713 0.050 0.050 {135.CD2} 26.812 0.050 0.050 {131.HG11} 1.610 0.050 0.050 1011124.90625 72268.62500 1 0
442 {135.HD2#} 0.717 0.050 0.050 {135.CD2} 27.078 0.050 0.050 {135.HG} 1.847 0.050 0.050 2562538.93750 136491.68750 1 0
444 {135.HD2#} 0.715 0.050 0.050 {135.CD2} 27.153 0.050 0.050 {131.HB} 1.894 0.050 0.050 1983988.68750 86326.65625 1 0
445 {135.HD2#} 0.715 0.050 0.050 {135.CD2} 27.120 0.050 0.050 {138.HB} 1.968 0.050 0.050 1523380.81250 83041.34375 1 0
446 {135.HD2#} 0.715 0.050 0.050 {135.CD2} 27.222 0.050 0.050 {131.HA} 3.607 0.050 0.050 2063818.31250 106212.65625 1 0
448 {135.HD2#} 0.716 0.050 0.050 {135.CD2} 27.244 0.050 0.050 {135.HA} 3.966 0.050 0.050 1105987.37500 62405.31250 1 0
452 {135.HD1#} 0.604 0.050 0.050 {135.CD1} 22.802 0.050 0.050 {135.HG} 1.843 0.050 0.050 1895454.53125 114618.78125 1 0
453 {135.HD1#} 0.605 0.050 0.050 {135.CD1} 22.805 0.050 0.050 {131.HB} 1.892 0.050 0.050 1292067.46875 74427.40625 1 0
454 {135.HD1#} 0.606 0.050 0.050 {135.CD1} 22.791 0.050 0.050 {138.HB} 1.970 0.050 0.050 1325357.25000 77285.37500 1 0
457 {135.HD1#} 0.604 0.050 0.050 {135.CD1} 22.737 0.050 0.050 {135.HA} 3.950 0.050 0.050 1732075.15625 110641.78125 1 0
459 {135.HA} 3.969 0.050 0.050 {135.CA} 57.838 0.050 0.050 {138.HD1#} 0.805 0.050 0.050 981986.28125 49334.78125 1 0
464 {134.HA} 3.956 0.050 0.050 {134.CA} 58.282 0.050 0.050 {135.HD2#} 0.714 0.050 0.050 1320921.87500 65947.78125 1 0
465 {133.HB#} 1.409 0.050 0.050 {133.CB} 18.063 0.050 0.050 {131.HA} 3.608 0.050 0.050 975848.87500 73550.15625 1 0
466 {133.HB#} 1.404 0.050 0.050 {133.CB} 18.063 0.050 0.050 {133.HA} 4.122 0.050 0.050 3439276.06250 212285.03125 1 0
467 {133.HB#} 1.403 0.050 0.050 {133.CB} 18.063 0.050 0.050 {132.HB} 4.071 0.050 0.050 2847611.09375 177970.56250 1 0
469 {132.HG2#} 1.107 0.050 0.050 {132.CG2} 22.355 0.050 0.050 {131.HD1#} 0.794 0.050 0.050 3805294.87500 207408.78125 1 0
470 {132.HG2#} 1.107 0.050 0.050 {132.CG2} 22.378 0.050 0.050 {131.HG2#} 0.775 0.050 0.050 3504983.21875 191781.34375 1 0
471 {132.HG2#} 1.104 0.050 0.050 {132.CG2} 22.342 0.050 0.050 {131.HG11} 1.551 0.050 0.050 1288366.28125 81025.96875 1 0
472 {132.HG2#} 1.106 0.050 0.050 {132.CG2} 22.208 0.050 0.050 {135.HG} 1.873 0.050 0.050 728969.71875 48831.62500 1 0
473 {132.HG2#} 1.104 0.050 0.050 {132.CG2} 22.378 0.050 0.050 {130.HB1} 2.830 0.050 0.050 1020857.90625 55680.78125 1 0
474 {132.HG2#} 1.106 0.050 0.050 {132.CG2} 22.378 0.050 0.050 {130.HB2} 2.786 0.050 0.050 970709.96875 56058.15625 1 0
475 {132.HG2#} 1.102 0.050 0.050 {132.CG2} 22.354 0.050 0.050 {134.HD#} 3.097 0.050 0.050 1067479.96875 65761.40625 1 0
476 {132.HG2#} 1.106 0.050 0.050 {132.CG2} 22.378 0.050 0.050 {131.HA} 3.612 0.050 0.050 1654709.56250 96346.62500 1 0
477 {132.HG2#} 1.107 0.050 0.050 {132.CG2} 22.378 0.050 0.050 {132.HA} 3.563 0.050 0.050 808079.93750 84362.43750 1 0
478 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.314 0.050 0.050 {132.HB} 4.055 0.050 0.050 1480671.46875 97125.06250 1 0
479 {132.HG2#} 1.106 0.050 0.050 {132.CG2} 22.278 0.050 0.050 {129.HA} 4.503 0.050 0.050 1033762.93750 69641.46875 1 0
480 {131.HG2#} 0.775 0.050 0.050 {131.CG2} 17.162 0.050 0.050 {131.HG11} 1.548 0.050 0.050 1396476.06250 102801.96875 1 0
481 {131.HG2#} 0.772 0.050 0.050 {131.CG2} 17.146 0.050 0.050 {131.HB} 1.891 0.050 0.050 2183677.68750 129649.90625 1 0
483 {131.HG2#} 0.773 0.050 0.050 {131.CG2} 17.146 0.050 0.050 {135.HG} 1.845 0.050 0.050 1802828.62500 126869.93750 1 0
485 {131.HG2#} 0.773 0.050 0.050 {131.CG2} 17.146 0.050 0.050 {131.HA} 3.612 0.050 0.050 1218737.03125 86045.43750 1 0
486 {131.HG2#} 0.777 0.050 0.050 {131.CG2} 17.146 0.050 0.050 {132.HA} 3.537 0.050 0.050 1111632.84375 82125.62500 1 0
487 {131.HG2#} 0.777 0.050 0.050 {131.CG2} 16.999 0.050 0.050 {135.HA} 3.963 0.050 0.050 695306.06250 52481.25000 1 0
489 {131.HG11} 1.559 0.050 0.050 {131.CG1} 29.062 0.050 0.050 {135.HD2#} 0.718 0.050 0.050 1129129.06250 59225.75000 1 0
490 {131.HG11} 1.564 0.050 0.050 {131.CG1} 29.062 0.050 0.050 {131.HD1#} 0.796 0.050 0.050 1628602.34375 77509.50000 1 0
491 {131.HG11} 1.564 0.050 0.050 {131.CG1} 29.062 0.050 0.050 {131.HG2#} 0.774 0.050 0.050 1550014.93750 76094.65625 1 0
492 {131.HG11} 1.563 0.050 0.050 {131.CG1} 29.062 0.050 0.050 {127.HG2#} 1.150 0.050 0.050 923463.37500 54598.84375 1 0
493 {131.HG11} 1.564 0.050 0.050 {131.CG1} 29.062 0.050 0.050 {132.HG2#} 1.104 0.050 0.050 964338.25000 53674.71875 1 0
494 {131.HG12} 0.990 0.050 0.050 {131.CG1} 29.032 0.050 0.050 {135.HD2#} 0.726 0.050 0.050 985994.40625 46680.21875 1 0
496 {131.HG12} 0.984 0.050 0.050 {131.CG1} 29.032 0.050 0.050 {131.HD1#} 0.795 0.050 0.050 2353472.15625 127844.09375 1 0
498 {131.HD1#} 0.795 0.050 0.050 {131.CD1} 13.156 0.050 0.050 {127.HG2#} 1.151 0.050 0.050 2590212.84375 175304.28125 1 0
499 {131.HD1#} 0.796 0.050 0.050 {131.CD1} 13.156 0.050 0.050 {132.HG2#} 1.104 0.050 0.050 2759679.37500 177163.46875 1 0
500 {131.HD1#} 0.799 0.050 0.050 {131.CD1} 13.117 0.050 0.050 {131.HG11} 1.566 0.050 0.050 1484310.53125 90531.59375 1 0
501 {131.HD1#} 0.796 0.050 0.050 {131.CD1} 13.172 0.050 0.050 {131.HB} 1.900 0.050 0.050 2848410.00000 174731.68750 1 0
504 {131.HD1#} 0.797 0.050 0.050 {131.CD1} 13.114 0.050 0.050 {128.HB2} 2.746 0.050 0.050 851183.37500 59307.40625 1 0
506 {131.HD1#} 0.795 0.050 0.050 {131.CD1} 13.106 0.050 0.050 {132.HA} 3.539 0.050 0.050 1136208.37500 75127.56250 1 0
507 {131.HD1#} 0.798 0.050 0.050 {131.CD1} 13.144 0.050 0.050 {128.HA} 4.605 0.050 0.050 960035.71875 63419.78125 1 0
508 {131.HB} 1.892 0.050 0.050 {131.CB} 37.678 0.050 0.050 {131.HD1#} 0.797 0.050 0.050 1585008.68750 89735.75000 1 0
511 {131.HA} 3.618 0.050 0.050 {131.CA} 64.629 0.050 0.050 {131.HD1#} 0.787 0.050 0.050 1218830.87500 67101.56250 1 0
512 {127.HG2#} 1.146 0.050 0.050 {127.CG2} 21.658 0.050 0.050 {131.HD1#} 0.792 0.050 0.050 1883222.93750 113326.53125 1 0
514 {127.HG2#} 1.148 0.050 0.050 {127.CG2} 21.690 0.050 0.050 {131.HG11} 1.561 0.050 0.050 641702.50000 61328.71875 1 0
515 {127.HG2#} 1.150 0.050 0.050 {127.CG2} 21.607 0.050 0.050 {131.HB} 1.895 0.050 0.050 808835.84375 60049.75000 1 0
517 {127.HG2#} 1.147 0.050 0.050 {127.CG2} 21.694 0.050 0.050 {127.HA} 4.241 0.050 0.050 2311389.46875 178703.59375 1 0
518 {126.HB#} 3.855 0.050 0.050 {126.CB} 63.684 0.050 0.050 {126.HA} 4.499 0.050 0.050 727429.12500 56805.75000 1 0
519 {153.HG2#} 0.946 0.050 0.050 {153.CG2} 22.703 0.050 0.050 {156.HB#} 3.804 0.050 0.050 555894.43750 42581.18750 1 0
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 HN . folded 1997.5 Hz . . . 4.792 . . 34513 1
2 . . N 15 N . folded 1501.5 Hz . . . 119.3 . . 34513 1
3 . . H 1 H . folded 9505.7 Hz . . . 4.90 . . 34513 1
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 34513
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 14
_Spectral_peak_list.Experiment_name '3D 1H-13C NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
HC C H
None
{4438.92 } {15290.52 } {4752.85 }
{949.9045 } {238.8617 } {949.9045 }
HC.L HC.P HC.W HC.B C.L C.P C.W C.B H.L H.P H.W H.B vol int stat flag0
1 {163.HG#} 1.516 0.050 0.050 {163.CG} 26.984 0.050 0.050 {163.HD#} 3.101 0.050 0.050 1232577.00000 104613.50000 1 0
2 {163.HD#} 3.110 0.050 0.050 {163.CD} 43.456 0.050 0.050 {163.HB2} 1.770 0.050 0.050 1196415.00000 88008.50000 1 0
3 {163.HD#} 3.110 0.050 0.050 {163.CD} 43.377 0.050 0.050 {163.HB1} 1.632 0.050 0.050 1099716.00000 94729.50000 1 0
4 {163.HD2} 3.111 0.050 0.050 {163.CD} 43.202 0.050 0.050 {163.HG#} 1.535 0.050 0.050 1624741.00000 121382.00000 1 0
5 {163.HB2} 1.775 0.050 0.050 {163.CB} 31.439 0.050 0.050 {163.HB1} 1.639 0.050 0.050 43576226.00000 2601026.00000 1 0
6 {163.HB2} 1.768 0.050 0.050 {163.CB} 31.524 0.050 0.050 {163.HG#} 1.537 0.050 0.050 3439679.00000 230384.50000 1 0
7 {163.HB2} 1.762 0.050 0.050 {163.CB} 31.575 0.050 0.050 {163.HA} 4.077 0.050 0.050 947032.00000 57617.00000 1 0
10 {163.HA} 4.088 0.050 0.050 {163.CA} 57.208 0.050 0.050 {163.HD#} 3.109 0.050 0.050 625196.00000 68025.00000 1 0
11 {163.HA} 4.083 0.050 0.050 {163.CA} 57.251 0.050 0.050 {163.HB2} 1.779 0.050 0.050 2312600.50000 148778.50000 1 0
12 {163.HA} 4.092 0.050 0.050 {163.CA} 57.215 0.050 0.050 {163.HB1} 1.630 0.050 0.050 1127205.50000 97503.00000 1 0
13 {163.HA} 4.077 0.050 0.050 {163.CA} 57.264 0.050 0.050 {163.HG#} 1.518 0.050 0.050 1791497.50000 95338.00000 1 0
14 {162.HB#} 1.312 0.050 0.050 {162.CB} 19.152 0.050 0.050 {162.HA} 4.263 0.050 0.050 7249514.50000 477988.00000 1 0
15 {162.HA} 4.271 0.050 0.050 {162.CA} 52.415 0.050 0.050 {162.HB#} 1.328 0.050 0.050 5997485.50000 386894.00000 1 0
17 {161.HA} 4.374 0.050 0.050 {161.CA} 58.112 0.050 0.050 {161.HB#} 3.802 0.050 0.050 13129838.00000 859877.00000 1 0
18 {160.HG2#} 1.146 0.050 0.050 {160.CG2} 21.394 0.050 0.050 {159.HD#} 3.579 0.050 0.050 564983.50000 153085.00000 1 0
19 {160.HA} 4.301 0.050 0.050 {160.CA} 61.725 0.050 0.050 {160.HG2#} 1.154 0.050 0.050 8249519.00000 539295.00000 1 0
20 {159.HG#} 1.967 0.050 0.050 {159.CG} 27.161 0.050 0.050 {159.HA} 4.454 0.050 0.050 2250415.50000 126917.50000 1 0
21 {159.HG#} 1.963 0.050 0.050 {159.CG} 27.169 0.050 0.050 {159.HD#} 3.588 0.050 0.050 23044591.00000 1324646.00000 1 0
22 {159.HG#} 1.965 0.050 0.050 {159.CG} 27.180 0.050 0.050 {159.HB1} 2.229 0.050 0.050 9740968.50000 528178.50000 1 0
23 {159.HD#} 3.585 0.050 0.050 {159.CD} 49.845 0.050 0.050 {159.HB1} 2.235 0.050 0.050 1774995.50000 103743.50000 1 0
24 {159.HB1} 2.237 0.050 0.050 {159.CB} 32.104 0.050 0.050 {159.HB2} 1.911 0.050 0.050 26637356.50000 1575492.50000 1 0
25 {159.HB1} 2.231 0.050 0.050 {159.CB} 32.095 0.050 0.050 {159.HD#} 3.582 0.050 0.050 2359032.00000 118394.50000 1 0
26 {159.HB1} 2.233 0.050 0.050 {159.CB} 32.096 0.050 0.050 {159.HA} 4.448 0.050 0.050 8665309.00000 502744.00000 1 0
28 {159.HB2} 1.908 0.050 0.050 {159.CB} 32.100 0.050 0.050 {159.HB1} 2.234 0.050 0.050 28643250.50000 1734497.00000 1 0
29 {159.HB2} 1.910 0.050 0.050 {159.CB} 32.132 0.050 0.050 {159.HD#} 3.587 0.050 0.050 2424217.00000 127323.50000 1 0
30 {159.HB2} 1.912 0.050 0.050 {159.CB} 32.049 0.050 0.050 {159.HA} 4.446 0.050 0.050 3674860.50000 190671.50000 1 0
31 {159.HA} 4.447 0.050 0.050 {159.CA} 63.345 0.050 0.050 {159.HD#} 3.589 0.050 0.050 2449376.00000 146562.00000 1 0
32 {159.HA} 4.447 0.050 0.050 {159.CA} 63.356 0.050 0.050 {159.HB1} 2.230 0.050 0.050 15050974.00000 869098.50000 1 0
33 {159.HA} 4.446 0.050 0.050 {159.CA} 63.310 0.050 0.050 {159.HB2} 1.910 0.050 0.050 7004611.00000 350397.50000 1 0
34 {158.HA2} 4.064 0.050 0.050 {158.CA} 44.594 0.050 0.050 {159.HD2} 3.598 0.050 0.050 13273873.00000 777953.50000 1 0
35 {158.HA1} 4.034 0.050 0.050 {158.CA} 44.585 0.050 0.050 {159.HD2} 3.594 0.050 0.050 13439203.00000 719893.50000 1 0
36 {158.HA2} 4.061 0.050 0.050 {158.CA} 44.534 0.050 0.050 {159.HG#} 1.963 0.050 0.050 1309256.00000 74220.00000 1 0
37 {157.HB#} 1.375 0.050 0.050 {157.CB} 19.287 0.050 0.050 {157.HA} 4.318 0.050 0.050 33960599.50000 1967550.50000 1 0
38 {157.HB#} 1.377 0.050 0.050 {157.CB} 19.235 0.050 0.050 {156.HB#} 3.816 0.050 0.050 2269229.00000 170698.50000 1 0
39 {157.HB#} 1.371 0.050 0.050 {157.CB} 19.335 0.050 0.050 {158.HA1} 4.034 0.050 0.050 1520722.50000 98033.50000 1 0
40 {157.HB#} 1.372 0.050 0.050 {157.CB} 19.352 0.050 0.050 {153.HA} 3.578 0.050 0.050 1484457.00000 105998.00000 1 0
41 {157.HA} 4.316 0.050 0.050 {157.CA} 52.469 0.050 0.050 {157.HB#} 1.376 0.050 0.050 30266905.00000 1737957.50000 1 0
42 {157.HA} 4.318 0.050 0.050 {157.CA} 52.455 0.050 0.050 {156.HB#} 3.798 0.050 0.050 1800562.50000 105663.00000 1 0
43 {156.HA} 4.294 0.050 0.050 {156.CA} 59.244 0.050 0.050 {156.HB#} 3.814 0.050 0.050 22693860.00000 1254009.50000 1 0
44 {156.HA} 4.296 0.050 0.050 {156.CA} 59.349 0.050 0.050 {155.HB#} 1.405 0.050 0.050 2235166.50000 124951.00000 1 0
45 {155.HB#} 1.407 0.050 0.050 {155.CB} 18.411 0.050 0.050 {156.HB#} 3.811 0.050 0.050 5685057.00000 350627.00000 1 0
46 {155.HB#} 1.407 0.050 0.050 {155.CB} 18.425 0.050 0.050 {152.HA} 4.036 0.050 0.050 11785343.50000 677291.00000 1 0
47 {155.HA} 4.161 0.050 0.050 {155.CA} 53.765 0.050 0.050 {154.HG1#} 0.822 0.050 0.050 2446528.00000 134703.00000 1 0
48 {155.HA} 4.163 0.050 0.050 {155.CA} 53.741 0.050 0.050 {155.HB#} 1.410 0.050 0.050 20526700.50000 1121992.50000 1 0
49 {154.HG1#} 0.822 0.050 0.050 {154.CG1} 21.066 0.050 0.050 {154.HB} 1.984 0.050 0.050 25963340.00000 1414542.00000 1 0
50 {154.HG1#} 0.824 0.050 0.050 {154.CG1} 21.085 0.050 0.050 {154.HA} 3.719 0.050 0.050 13703850.00000 772508.50000 1 0
51 {154.HG1#} 0.824 0.050 0.050 {154.CG1} 21.087 0.050 0.050 {155.HA} 4.161 0.050 0.050 3026583.50000 161043.00000 1 0
52 {154.HG2#} 0.809 0.050 0.050 {154.CG2} 21.892 0.050 0.050 {154.HB} 1.982 0.050 0.050 21610693.00000 1304341.50000 1 0
53 {154.HG2#} 0.809 0.050 0.050 {154.CG2} 21.881 0.050 0.050 {154.HA} 3.718 0.050 0.050 21859108.50000 1362247.50000 1 0
54 {154.HB} 1.985 0.050 0.050 {154.CB} 31.603 0.050 0.050 {154.HG2#} 0.816 0.050 0.050 22063974.00000 1164569.50000 1 0
55 {154.HB} 1.988 0.050 0.050 {154.CB} 31.603 0.050 0.050 {154.HA} 3.716 0.050 0.050 3201924.50000 153703.00000 1 0
57 {154.HA} 3.720 0.050 0.050 {154.CA} 65.200 0.050 0.050 {157.HB#} 1.382 0.050 0.050 2194478.00000 119839.00000 1 0
58 {154.HA} 3.718 0.050 0.050 {154.CA} 65.220 0.050 0.050 {154.HB} 1.989 0.050 0.050 4704242.00000 247437.00000 1 0
59 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.830 0.050 0.050 {149.HB2} 1.490 0.050 0.050 3218632.00000 184751.00000 1 0
60 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.847 0.050 0.050 {152.HG} 1.703 0.050 0.050 5377004.50000 318596.50000 1 0
61 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.813 0.050 0.050 {153.HB} 2.140 0.050 0.050 14310757.00000 769361.00000 1 0
62 {153.HG2#} 0.948 0.050 0.050 {153.CG2} 22.815 0.050 0.050 {153.HA} 3.593 0.050 0.050 14522529.50000 790270.50000 1 0
63 {153.HG2#} 0.952 0.050 0.050 {153.CG2} 22.883 0.050 0.050 {154.HA} 3.698 0.050 0.050 1927367.00000 124316.50000 1 0
64 {153.HG2#} 0.951 0.050 0.050 {153.CG2} 22.887 0.050 0.050 {156.HB#} 3.814 0.050 0.050 2313660.50000 150162.50000 1 0
65 {153.HG1#} 0.862 0.050 0.050 {153.CG1} 21.236 0.050 0.050 {152.HG} 1.689 0.050 0.050 2537808.00000 153656.50000 1 0
66 {153.HG1#} 0.860 0.050 0.050 {153.CG1} 21.207 0.050 0.050 {153.HB} 2.135 0.050 0.050 17562741.00000 1039730.00000 1 0
67 {153.HG1#} 0.860 0.050 0.050 {153.CG1} 21.208 0.050 0.050 {157.HB#} 1.384 0.050 0.050 3351252.00000 184379.50000 1 0
68 {153.HG1#} 0.864 0.050 0.050 {153.CG1} 21.179 0.050 0.050 {149.HB2} 1.488 0.050 0.050 1311807.00000 102044.50000 1 0
69 {153.HG1#} 0.860 0.050 0.050 {153.CG1} 21.188 0.050 0.050 {153.HA} 3.600 0.050 0.050 10669556.00000 665535.00000 1 0
70 {153.HG1#} 0.861 0.050 0.050 {153.CG1} 21.181 0.050 0.050 {154.HA} 3.701 0.050 0.050 4993004.50000 290971.00000 1 0
71 {153.HG1#} 0.863 0.050 0.050 {153.CG1} 21.158 0.050 0.050 {156.HB#} 3.819 0.050 0.050 2111781.50000 129920.50000 1 0
72 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.229 0.050 0.050 {150.HA} 4.158 0.050 0.050 3280155.00000 187097.50000 1 0
73 {153.HB} 2.142 0.050 0.050 {153.CB} 31.686 0.050 0.050 {153.HG1#} 0.861 0.050 0.050 7795635.50000 418165.50000 1 0
74 {153.HB} 2.139 0.050 0.050 {153.CB} 31.696 0.050 0.050 {153.HG2#} 0.945 0.050 0.050 6387407.00000 330757.00000 1 0
75 {153.HB} 2.148 0.050 0.050 {153.CB} 31.709 0.050 0.050 {153.HA} 3.602 0.050 0.050 2337752.00000 117651.50000 1 0
76 {153.HB} 2.140 0.050 0.050 {153.CB} 31.686 0.050 0.050 {150.HA} 4.152 0.050 0.050 2532530.00000 128878.50000 1 0
77 {153.HA} 3.593 0.050 0.050 {153.CA} 66.051 0.050 0.050 {156.HB#} 3.819 0.050 0.050 2032664.50000 105118.00000 1 0
78 {153.HA} 3.592 0.050 0.050 {153.CA} 66.088 0.050 0.050 {153.HG2#} 0.946 0.050 0.050 6751522.00000 335543.00000 1 0
79 {153.HA} 3.592 0.050 0.050 {153.CA} 66.065 0.050 0.050 {153.HG1#} 0.853 0.050 0.050 5840384.00000 292387.00000 1 0
80 {152.HG} 1.688 0.050 0.050 {152.CG} 26.635 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 10894234.00000 502892.50000 1 0
81 {152.HG} 1.693 0.050 0.050 {152.CG} 26.739 0.050 0.050 {153.HG2#} 0.948 0.050 0.050 2283411.50000 116102.50000 1 0
82 {152.HG} 1.694 0.050 0.050 {152.CG} 26.600 0.050 0.050 {152.HA} 4.022 0.050 0.050 1533769.50000 85616.50000 1 0
83 {152.HD2#} 0.722 0.050 0.050 {152.CD2} 25.632 0.050 0.050 {152.HB2} 1.497 0.050 0.050 11499965.50000 628289.00000 1 0
84 {152.HD2#} 0.723 0.050 0.050 {152.CD2} 25.590 0.050 0.050 {155.HB#} 1.389 0.050 0.050 2565294.00000 174976.50000 1 0
86 {152.HB1} 1.850 0.050 0.050 {152.CB} 42.132 0.050 0.050 {152.HA} 4.022 0.050 0.050 2117673.00000 104632.50000 1 0
87 {152.HB1} 1.854 0.050 0.050 {152.CB} 41.992 0.050 0.050 {149.HA} 3.929 0.050 0.050 2463637.50000 125851.00000 1 0
88 {152.HB1} 1.853 0.050 0.050 {152.CB} 42.044 0.050 0.050 {156.HB#} 3.819 0.050 0.050 2331081.50000 80015.00000 1 0
89 {152.HB2} 1.499 0.050 0.050 {152.CB} 42.101 0.050 0.050 {152.HB1} 1.855 0.050 0.050 6708798.50000 324852.00000 1 0
90 {152.HA} 4.032 0.050 0.050 {152.CA} 57.374 0.050 0.050 {152.HD1#} 0.706 0.050 0.050 7003654.50000 342314.50000 1 0
91 {152.HA} 4.030 0.050 0.050 {152.CA} 57.427 0.050 0.050 {155.HB#} 1.413 0.050 0.050 2769208.00000 140143.00000 1 0
92 {152.HA} 4.029 0.050 0.050 {152.CA} 57.385 0.050 0.050 {152.HB2} 1.522 0.050 0.050 2405487.50000 124907.00000 1 0
93 {152.HA} 4.027 0.050 0.050 {152.CA} 57.436 0.050 0.050 {152.HB1} 1.838 0.050 0.050 2119182.50000 102174.50000 1 0
94 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.866 0.050 0.050 {151.HA} 3.818 0.050 0.050 12970260.50000 811101.00000 1 0
95 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.909 0.050 0.050 {152.HA} 4.031 0.050 0.050 2000221.00000 133630.00000 1 0
96 {151.HG2#} 1.192 0.050 0.050 {151.CG2} 21.859 0.050 0.050 {151.HB} 4.383 0.050 0.050 25870293.50000 1621382.00000 1 0
97 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.909 0.050 0.050 {154.HB} 1.988 0.050 0.050 2107791.00000 98879.00000 1 0
98 {151.HB} 4.383 0.050 0.050 {151.CB} 68.390 0.050 0.050 {148.HA} 4.173 0.050 0.050 3388704.50000 171616.00000 1 0
99 {151.HB} 4.384 0.050 0.050 {151.CB} 68.481 0.050 0.050 {151.HA} 3.829 0.050 0.050 3880918.00000 204103.00000 1 0
100 {151.HB} 4.383 0.050 0.050 {151.CB} 68.465 0.050 0.050 {151.HG2#} 1.189 0.050 0.050 15343439.50000 812697.00000 1 0
101 {151.HB} 4.381 0.050 0.050 {151.CB} 68.490 0.050 0.050 {152.HD2#} 0.723 0.050 0.050 1254931.00000 87142.50000 1 0
102 {151.HA} 3.822 0.050 0.050 {151.CA} 66.224 0.050 0.050 {151.HB} 4.382 0.050 0.050 3730149.50000 202327.00000 1 0
103 {151.HA} 3.820 0.050 0.050 {151.CA} 66.209 0.050 0.050 {154.HB} 1.992 0.050 0.050 2457845.00000 139751.50000 1 0
104 {151.HA} 3.821 0.050 0.050 {151.CA} 66.215 0.050 0.050 {151.HG2#} 1.189 0.050 0.050 7074008.00000 376112.50000 1 0
105 {151.HA} 3.818 0.050 0.050 {151.CA} 66.167 0.050 0.050 {154.HG2#} 0.817 0.050 0.050 3776832.00000 202520.00000 1 0
108 {150.HA} 4.150 0.050 0.050 {150.CA} 60.465 0.050 0.050 {150.HB1} 3.213 0.050 0.050 4615373.50000 240930.50000 1 0
109 {150.HA} 4.145 0.050 0.050 {150.CA} 60.475 0.050 0.050 {153.HB} 2.136 0.050 0.050 3311275.50000 174970.50000 1 0
110 {150.HA} 4.146 0.050 0.050 {150.CA} 60.467 0.050 0.050 {153.HG2#} 0.948 0.050 0.050 2501907.50000 119113.00000 1 0
111 {149.HD2#} 0.869 0.050 0.050 {149.CD2} 27.859 0.050 0.050 {146.HA} 3.823 0.050 0.050 3032055.50000 173682.00000 1 0
112 {149.HD2#} 0.868 0.050 0.050 {149.CD2} 27.858 0.050 0.050 {149.HA} 3.932 0.050 0.050 3012425.00000 165947.00000 1 0
113 {149.HD2#} 0.868 0.050 0.050 {149.CD2} 27.895 0.050 0.050 {149.HB1} 1.857 0.050 0.050 5757055.00000 308072.50000 1 0
114 {149.HD2#} 0.868 0.050 0.050 {149.CD2} 27.884 0.050 0.050 {149.HG} 1.722 0.050 0.050 9104075.00000 511536.50000 1 0
115 {149.HB1} 1.883 0.050 0.050 {149.CB} 42.099 0.050 0.050 {149.HA} 3.936 0.050 0.050 2205638.50000 108012.00000 1 0
116 {149.HB1} 1.876 0.050 0.050 {149.CB} 41.981 0.050 0.050 {149.HD2#} 0.867 0.050 0.050 5099959.00000 246353.00000 1 0
117 {149.HA} 3.933 0.050 0.050 {149.CA} 57.935 0.050 0.050 {149.HB2} 1.495 0.050 0.050 2503373.00000 125608.00000 1 0
118 {149.HA} 3.938 0.050 0.050 {149.CA} 57.941 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 7555004.50000 351611.50000 1 0
119 {149.HA} 3.938 0.050 0.050 {149.CA} 57.941 0.050 0.050 {149.HB1} 1.876 0.050 0.050 2795524.50000 115410.50000 1 0
120 {148.HG2} 2.719 0.050 0.050 {148.CG} 33.033 0.050 0.050 {148.HE#} 1.815 0.050 0.050 1906431.50000 85862.50000 1 0
121 {148.HG2} 2.716 0.050 0.050 {148.CG} 33.109 0.050 0.050 {148.HG1} 2.472 0.050 0.050 6194698.50000 305596.00000 1 0
122 {148.HG2} 2.722 0.050 0.050 {148.CG} 33.077 0.050 0.050 {148.HA} 4.185 0.050 0.050 1689390.00000 84261.50000 1 0
123 {148.HG1} 2.470 0.050 0.050 {148.CG} 33.066 0.050 0.050 {148.HA} 4.187 0.050 0.050 2198305.50000 115244.00000 1 0
124 {148.HG1} 2.465 0.050 0.050 {148.CG} 33.101 0.050 0.050 {148.HG2} 2.720 0.050 0.050 6702683.50000 339234.00000 1 0
125 {148.HG1} 2.466 0.050 0.050 {148.CG} 33.149 0.050 0.050 {148.HB2} 2.197 0.050 0.050 1482798.50000 90467.00000 1 0
127 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.600 0.050 0.050 {148.HG2} 2.697 0.050 0.050 5458246.50000 366051.50000 1 0
129 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.620 0.050 0.050 {145.HA} 3.397 0.050 0.050 4323002.50000 286917.00000 1 0
130 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.600 0.050 0.050 {144.HA} 4.049 0.050 0.050 3206700.50000 230401.00000 1 0
131 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.602 0.050 0.050 {148.HA} 4.178 0.050 0.050 13321196.00000 581366.50000 1 0
132 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.527 0.050 0.050 {151.HB} 4.389 0.050 0.050 1523013.00000 89391.50000 1 0
133 {148.HA} 4.175 0.050 0.050 {148.CA} 59.189 0.050 0.050 {148.HG1} 2.463 0.050 0.050 2508902.00000 129126.00000 1 0
134 {148.HA} 4.181 0.050 0.050 {148.CA} 59.188 0.050 0.050 {148.HG2} 2.715 0.050 0.050 1807319.00000 91934.00000 1 0
135 {148.HA} 4.175 0.050 0.050 {148.CA} 59.173 0.050 0.050 {151.HG2#} 1.194 0.050 0.050 1652640.00000 83746.00000 1 0
136 {146.HG} 1.524 0.050 0.050 {146.CG} 27.951 0.050 0.050 {146.HA} 3.828 0.050 0.050 1951928.00000 111299.00000 1 0
137 {146.HG} 1.520 0.050 0.050 {146.CG} 27.866 0.050 0.050 {146.HD#} 0.857 0.050 0.050 8930703.50000 452254.00000 1 0
138 {146.HD#} 0.856 0.050 0.050 {146.CD2} 25.075 0.050 0.050 {146.HA} 3.827 0.050 0.050 12784601.00000 713431.50000 1 0
139 {146.HD#} 0.856 0.050 0.050 {146.CD2} 25.133 0.050 0.050 {142.HA} 3.946 0.050 0.050 3688533.50000 248853.50000 1 0
140 {146.HD#} 0.858 0.050 0.050 {146.CD2} 24.977 0.050 0.050 {143.HB2} 4.038 0.050 0.050 4303297.50000 269742.00000 1 0
141 {146.HD#} 0.858 0.050 0.050 {146.CD2} 25.045 0.050 0.050 {143.HA} 4.166 0.050 0.050 9751826.00000 533553.00000 1 0
142 {146.HB1} 1.830 0.050 0.050 {146.CB} 41.908 0.050 0.050 {143.HA} 4.170 0.050 0.050 1495694.50000 77683.00000 1 0
143 {146.HB2} 1.529 0.050 0.050 {146.CB} 41.913 0.050 0.050 {146.HD#} 0.854 0.050 0.050 6827807.00000 347849.50000 1 0
144 {146.HB2} 1.530 0.050 0.050 {146.CB} 41.936 0.050 0.050 {146.HB1} 1.837 0.050 0.050 7520153.50000 373598.50000 1 0
145 {146.HB2} 1.534 0.050 0.050 {146.CB} 41.908 0.050 0.050 {146.HA} 3.837 0.050 0.050 2295853.50000 127155.00000 1 0
146 {146.HA} 3.820 0.050 0.050 {146.CA} 58.815 0.050 0.050 {146.HD#} 0.853 0.050 0.050 7473662.00000 370707.00000 1 0
147 {146.HA} 3.822 0.050 0.050 {146.CA} 58.815 0.050 0.050 {146.HB1} 1.835 0.050 0.050 2351702.50000 115772.00000 1 0
148 {145.HG2#} 0.748 0.050 0.050 {145.CG2} 16.742 0.050 0.050 {146.HG} 1.513 0.050 0.050 2958126.00000 153470.00000 1 0
149 {145.HG2#} 0.750 0.050 0.050 {145.CG2} 16.697 0.050 0.050 {145.HB} 2.003 0.050 0.050 6437907.00000 358461.50000 1 0
150 {145.HG2#} 0.747 0.050 0.050 {145.CG2} 16.693 0.050 0.050 {145.HA} 3.408 0.050 0.050 4436784.00000 243702.50000 1 0
151 {145.HG2#} 0.752 0.050 0.050 {145.CG2} 16.667 0.050 0.050 {146.HA} 3.831 0.050 0.050 1538304.50000 91796.00000 1 0
152 {145.HG2#} 0.749 0.050 0.050 {145.CG2} 16.664 0.050 0.050 {142.HA} 3.971 0.050 0.050 2600010.00000 141001.50000 1 0
153 {145.HD1#} 0.820 0.050 0.050 {145.CD1} 15.337 0.050 0.050 {145.HA} 3.409 0.050 0.050 2070188.00000 104151.00000 1 0
154 {144.HG1} 2.369 0.050 0.050 {144.CG} 36.171 0.050 0.050 {144.HB2} 2.192 0.050 0.050 12575928.00000 602034.50000 1 0
155 {144.HG1} 2.371 0.050 0.050 {144.CG} 36.180 0.050 0.050 {144.HA} 4.047 0.050 0.050 5457288.00000 292223.00000 1 0
156 {144.HG1} 2.373 0.050 0.050 {144.CG} 36.148 0.050 0.050 {141.HA} 4.156 0.050 0.050 2217672.50000 121140.50000 1 0
157 {144.HG2} 2.116 0.050 0.050 {144.CG} 36.166 0.050 0.050 {144.HG1} 2.368 0.050 0.050 14467757.00000 818050.00000 1 0
158 {140.HG1} 2.227 0.050 0.050 {140.CG} 36.183 0.050 0.050 {137.HA} 4.131 0.050 0.050 2563954.00000 161651.50000 1 0
159 {140.HG1} 2.228 0.050 0.050 {140.CG} 36.162 0.050 0.050 {140.HA} 4.040 0.050 0.050 6430695.00000 372164.00000 1 0
160 {144.HG2} 2.125 0.050 0.050 {144.CG} 36.126 0.050 0.050 {148.HE#} 1.812 0.050 0.050 1818391.50000 91844.50000 1 0
161 {144.HG2} 2.116 0.050 0.050 {144.CG} 36.161 0.050 0.050 {144.HA} 4.047 0.050 0.050 3307501.50000 181261.00000 1 0
162 {144.HB2} 2.186 0.050 0.050 {144.CB} 29.629 0.050 0.050 {144.HA} 4.047 0.050 0.050 7387441.00000 393799.00000 1 0
163 {140.HB2} 2.225 0.050 0.050 {140.CB} 29.477 0.050 0.050 {141.HA} 4.164 0.050 0.050 3465067.00000 110305.00000 1 0
164 {142.HD2#} 0.947 0.050 0.050 {142.CD2} 28.923 0.050 0.050 {139.HA} 4.210 0.050 0.050 3643935.00000 204846.50000 1 0
165 {142.HD2#} 0.950 0.050 0.050 {142.CD2} 28.935 0.050 0.050 {142.HA} 3.967 0.050 0.050 1871382.00000 111657.00000 1 0
166 {142.HD2#} 0.947 0.050 0.050 {142.CD2} 28.960 0.050 0.050 {138.HA} 3.503 0.050 0.050 2818158.50000 155204.00000 1 0
167 {142.HD1#} 0.686 0.050 0.050 {142.CD1} 24.378 0.050 0.050 {142.HA} 3.979 0.050 0.050 5546543.00000 316494.50000 1 0
168 {141.HE2} 2.839 0.050 0.050 {141.CE} 41.879 0.050 0.050 {141.HG1} 1.434 0.050 0.050 4660051.50000 186765.00000 1 0
170 {141.HE2} 2.840 0.050 0.050 {141.CE} 41.923 0.050 0.050 {141.HA} 4.167 0.050 0.050 1431024.00000 78615.50000 1 0
171 {141.HE1} 2.774 0.050 0.050 {141.CE} 41.882 0.050 0.050 {141.HD2} 1.537 0.050 0.050 5383688.00000 281712.00000 1 0
172 {141.HE1} 2.776 0.050 0.050 {141.CE} 41.848 0.050 0.050 {141.HG2} 1.750 0.050 0.050 4313474.00000 230302.50000 1 0
173 {141.HE1} 2.772 0.050 0.050 {141.CE} 41.835 0.050 0.050 {137.HB2} 1.958 0.050 0.050 1003459.00000 62465.00000 1 0
174 {141.HE1} 2.771 0.050 0.050 {141.CE} 41.719 0.050 0.050 {141.HA} 4.174 0.050 0.050 1531912.00000 81687.00000 1 0
175 {141.HD2} 1.533 0.050 0.050 {141.CD} 29.447 0.050 0.050 {141.HE1} 2.774 0.050 0.050 1965773.50000 71061.00000 1 0
179 {141.HA} 4.176 0.050 0.050 {141.CA} 59.431 0.050 0.050 {141.HG1} 1.452 0.050 0.050 2115112.50000 113302.50000 1 0
180 {140.HG2} 2.414 0.050 0.050 {140.CG} 36.185 0.050 0.050 {137.HA} 4.131 0.050 0.050 2144786.50000 122602.00000 1 0
181 {140.HG2} 2.410 0.050 0.050 {140.CG} 36.156 0.050 0.050 {140.HA} 4.039 0.050 0.050 4236269.00000 249484.00000 1 0
182 {140.HG2} 2.414 0.050 0.050 {140.CG} 36.185 0.050 0.050 {140.HB1} 2.089 0.050 0.050 7146860.50000 337472.50000 1 0
183 {140.HB2} 2.225 0.050 0.050 {140.CB} 29.477 0.050 0.050 {140.HA} 4.037 0.050 0.050 7045324.00000 338274.50000 1 0
184 {140.HB2} 2.225 0.050 0.050 {140.CB} 29.477 0.050 0.050 {137.HA} 4.131 0.050 0.050 3760315.50000 165708.00000 1 0
185 {140.HB1} 2.094 0.050 0.050 {140.CB} 29.498 0.050 0.050 {137.HA} 4.131 0.050 0.050 2661546.00000 130972.50000 1 0
186 {138.HG2#} 0.815 0.050 0.050 {138.CG2} 16.306 0.050 0.050 {138.HA} 3.497 0.050 0.050 3528926.50000 188200.50000 1 0
187 {138.HG2#} 0.813 0.050 0.050 {138.CG2} 16.368 0.050 0.050 {139.HA} 4.216 0.050 0.050 1743299.50000 89422.00000 1 0
188 {138.HD1#} 0.801 0.050 0.050 {138.CD1} 14.556 0.050 0.050 {138.HA} 3.494 0.050 0.050 2087344.50000 89271.00000 1 0
189 {138.HD1#} 0.808 0.050 0.050 {138.CD1} 14.752 0.050 0.050 {135.HA} 3.967 0.050 0.050 3915414.00000 181941.50000 1 0
190 {137.HG#} 1.751 0.050 0.050 {137.CG} 26.930 0.050 0.050 {137.HA} 4.123 0.050 0.050 5393054.50000 299422.50000 1 0
191 {137.HG#} 1.763 0.050 0.050 {137.CG} 26.953 0.050 0.050 {138.HA} 3.505 0.050 0.050 865877.00000 68582.00000 1 0
192 {137.HG#} 1.751 0.050 0.050 {137.CG} 26.995 0.050 0.050 {137.HD2} 3.167 0.050 0.050 9185716.50000 424496.00000 1 0
193 {137.HD1} 3.225 0.050 0.050 {137.CD} 43.618 0.050 0.050 {137.HA} 4.127 0.050 0.050 1503854.00000 84893.00000 1 0
194 {137.HD1} 3.226 0.050 0.050 {137.CD} 43.589 0.050 0.050 {137.HB2} 1.980 0.050 0.050 2365828.50000 122909.00000 1 0
195 {137.HD1} 3.227 0.050 0.050 {137.CD} 43.596 0.050 0.050 {137.HG#} 1.754 0.050 0.050 10858079.50000 594787.50000 1 0
196 {137.HD2} 3.168 0.050 0.050 {137.CD} 43.577 0.050 0.050 {137.HG#} 1.759 0.050 0.050 10805969.50000 571000.00000 1 0
197 {137.HD2} 3.168 0.050 0.050 {137.CD} 43.719 0.050 0.050 {137.HB2} 1.982 0.050 0.050 2360723.50000 117831.50000 1 0
198 {137.HB2} 1.978 0.050 0.050 {137.CB} 30.555 0.050 0.050 {134.HA} 3.941 0.050 0.050 1239913.50000 56605.50000 1 0
200 {137.HB2} 1.982 0.050 0.050 {137.CB} 30.458 0.050 0.050 {137.HG#} 1.756 0.050 0.050 6249555.50000 300076.00000 1 0
201 {137.HB1} 1.907 0.050 0.050 {137.CB} 30.460 0.050 0.050 {137.HG#} 1.754 0.050 0.050 6971438.50000 329008.00000 1 0
202 {137.HB1} 1.910 0.050 0.050 {137.CB} 30.397 0.050 0.050 {134.HA} 3.952 0.050 0.050 1641440.00000 80956.00000 1 0
203 {137.HB1} 1.915 0.050 0.050 {137.CB} 30.498 0.050 0.050 {137.HA} 4.132 0.050 0.050 1941720.50000 96615.50000 1 0
204 {137.HA} 4.127 0.050 0.050 {137.CA} 59.171 0.050 0.050 {137.HD2} 3.183 0.050 0.050 1414985.00000 75893.50000 1 0
205 {137.HA} 4.127 0.050 0.050 {137.CA} 59.115 0.050 0.050 {137.HB2} 1.977 0.050 0.050 3246954.50000 171406.50000 1 0
206 {137.HA} 4.131 0.050 0.050 {137.CA} 59.086 0.050 0.050 {137.HB1} 1.910 0.050 0.050 3055030.50000 137899.00000 1 0
207 {136.HA} 4.214 0.050 0.050 {136.CA} 57.769 0.050 0.050 {136.HB1} 2.636 0.050 0.050 3195946.00000 141282.50000 1 0
208 {136.HA} 4.215 0.050 0.050 {136.CA} 57.719 0.050 0.050 {136.HB2} 2.820 0.050 0.050 1921974.00000 90726.00000 1 0
209 {135.HD2#} 0.715 0.050 0.050 {135.CD2} 27.218 0.050 0.050 {132.HA} 3.540 0.050 0.050 3055549.00000 173133.50000 1 0
210 {135.HD2#} 0.718 0.050 0.050 {135.CD2} 27.174 0.050 0.050 {135.HA} 3.971 0.050 0.050 2557442.50000 158862.50000 1 0
211 {135.HD2#} 0.716 0.050 0.050 {135.CD2} 27.115 0.050 0.050 {135.HB2} 1.202 0.050 0.050 3341760.50000 180214.00000 1 0
212 {135.HD1#} 0.604 0.050 0.050 {135.CD1} 22.752 0.050 0.050 {135.HA} 3.968 0.050 0.050 6099889.50000 349090.50000 1 0
213 {135.HD1#} 0.602 0.050 0.050 {135.CD1} 22.865 0.050 0.050 {132.HA} 3.557 0.050 0.050 1332735.50000 80930.50000 1 0
214 {135.HD1#} 0.602 0.050 0.050 {135.CD1} 22.725 0.050 0.050 {135.HB2} 1.184 0.050 0.050 3304192.00000 188106.00000 1 0
217 {134.HA} 3.948 0.050 0.050 {134.CA} 58.238 0.050 0.050 {134.HD#} 3.091 0.050 0.050 1970544.50000 108243.50000 1 0
218 {133.HB#} 1.410 0.050 0.050 {133.CB} 18.160 0.050 0.050 {131.HA} 3.602 0.050 0.050 1510647.50000 122961.50000 1 0
219 {133.HB#} 1.407 0.050 0.050 {133.CB} 17.896 0.050 0.050 {130.HA} 4.522 0.050 0.050 4258537.00000 388919.50000 1 0
220 {133.HA} 4.121 0.050 0.050 {133.CA} 55.069 0.050 0.050 {136.HB1} 2.650 0.050 0.050 1691878.50000 87642.00000 1 0
221 {133.HA} 4.118 0.050 0.050 {133.CA} 54.990 0.050 0.050 {133.HB#} 1.402 0.050 0.050 10888358.00000 576687.50000 1 0
222 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.346 0.050 0.050 {132.HB} 4.070 0.050 0.050 21249591.00000 1215529.50000 1 0
223 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.359 0.050 0.050 {132.HA} 3.535 0.050 0.050 9710903.00000 548929.50000 1 0
224 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.353 0.050 0.050 {136.HB1} 2.636 0.050 0.050 1436070.00000 97258.00000 1 0
225 {132.HB} 4.071 0.050 0.050 {132.CB} 67.622 0.050 0.050 {132.HG2#} 1.103 0.050 0.050 7259492.00000 403157.00000 1 0
226 {132.HB} 4.070 0.050 0.050 {132.CB} 67.565 0.050 0.050 {132.HA} 3.543 0.050 0.050 2399220.00000 116231.50000 1 0
227 {132.HA} 3.536 0.050 0.050 {132.CA} 67.295 0.050 0.050 {132.HG2#} 1.105 0.050 0.050 2429501.50000 123105.50000 1 0
228 {132.HA} 3.541 0.050 0.050 {132.CA} 67.405 0.050 0.050 {132.HB} 4.067 0.050 0.050 1835831.50000 86729.50000 1 0
229 {131.HG2#} 0.776 0.050 0.050 {131.CG2} 17.124 0.050 0.050 {131.HB} 1.887 0.050 0.050 15536855.00000 880579.50000 1 0
230 {131.HG2#} 0.776 0.050 0.050 {131.CG2} 17.123 0.050 0.050 {131.HG11} 1.572 0.050 0.050 6202687.50000 358807.50000 1 0
231 {131.HG2#} 0.775 0.050 0.050 {131.CG2} 17.129 0.050 0.050 {131.HA} 3.611 0.050 0.050 6831993.00000 410441.50000 1 0
232 {131.HG11} 1.569 0.050 0.050 {131.CG1} 29.056 0.050 0.050 {131.HA} 3.609 0.050 0.050 1721379.50000 90785.00000 1 0
233 {131.HG11} 1.569 0.050 0.050 {131.CG1} 29.129 0.050 0.050 {131.HB} 1.894 0.050 0.050 2622030.00000 139990.00000 1 0
234 {131.HG11} 1.566 0.050 0.050 {131.CG1} 29.106 0.050 0.050 {131.HG12} 0.979 0.050 0.050 9772992.50000 488186.50000 1 0
235 {131.HG12} 0.981 0.050 0.050 {131.CG1} 29.125 0.050 0.050 {131.HA} 3.613 0.050 0.050 2093046.50000 114084.00000 1 0
236 {131.HG12} 0.982 0.050 0.050 {131.CG1} 29.094 0.050 0.050 {131.HG11} 1.570 0.050 0.050 8308873.00000 411781.50000 1 0
237 {131.HD1#} 0.793 0.050 0.050 {131.CD1} 13.148 0.050 0.050 {134.HA} 3.934 0.050 0.050 792706.50000 60730.00000 1 0
238 {131.HD1#} 0.798 0.050 0.050 {131.CD1} 13.151 0.050 0.050 {131.HA} 3.616 0.050 0.050 5065371.00000 279607.50000 1 0
239 {131.HD1#} 0.798 0.050 0.050 {131.CD1} 13.120 0.050 0.050 {131.HB} 1.894 0.050 0.050 11625976.00000 673293.50000 1 0
240 {131.HD1#} 0.797 0.050 0.050 {131.CD1} 13.144 0.050 0.050 {131.HG11} 1.569 0.050 0.050 16251889.00000 939842.50000 1 0
241 {131.HB} 1.892 0.050 0.050 {131.CB} 37.726 0.050 0.050 {131.HA} 3.608 0.050 0.050 2539237.50000 128651.00000 1 0
242 {131.HB} 1.897 0.050 0.050 {131.CB} 37.688 0.050 0.050 {131.HG11} 1.571 0.050 0.050 2568606.00000 136441.50000 1 0
243 {131.HB} 1.900 0.050 0.050 {131.CB} 37.639 0.050 0.050 {131.HG12} 0.981 0.050 0.050 1934789.00000 101219.50000 1 0
244 {131.HA} 3.615 0.050 0.050 {131.CA} 64.670 0.050 0.050 {131.HB} 1.902 0.050 0.050 2454911.50000 140067.00000 1 0
245 {131.HA} 3.617 0.050 0.050 {131.CA} 64.853 0.050 0.050 {131.HG12} 0.980 0.050 0.050 1458960.00000 57988.00000 1 0
246 {130.HB1} 2.852 0.050 0.050 {130.CB} 38.384 0.050 0.050 {130.HA} 4.538 0.050 0.050 4510931.00000 247213.50000 1 0
247 {130.HB1} 2.843 0.050 0.050 {130.CB} 38.422 0.050 0.050 {133.HB#} 1.399 0.050 0.050 1412302.50000 76481.50000 1 0
248 {130.HA} 4.539 0.050 0.050 {130.CA} 54.342 0.050 0.050 {133.HB#} 1.403 0.050 0.050 3968952.00000 216005.50000 1 0
249 {130.HA} 4.539 0.050 0.050 {130.CA} 54.329 0.050 0.050 {130.HB2} 2.789 0.050 0.050 5903793.00000 293025.50000 1 0
250 {129.HB1} 2.626 0.050 0.050 {129.CB} 40.742 0.050 0.050 {129.HA} 4.485 0.050 0.050 7680579.50000 359088.00000 1 0
251 {129.HA} 4.482 0.050 0.050 {129.CA} 55.048 0.050 0.050 {129.HB#} 2.620 0.050 0.050 13884400.50000 736751.50000 1 0
253 {129.HA} 4.481 0.050 0.050 {129.CA} 55.055 0.050 0.050 {132.HB} 4.071 0.050 0.050 2896688.50000 149941.50000 1 0
254 {130.HB2} 2.783 0.050 0.050 {130.CB} 38.376 0.050 0.050 {133.HB#} 1.404 0.050 0.050 1092487.50000 60642.00000 1 0
256 {130.HB2} 2.787 0.050 0.050 {130.CB} 38.370 0.050 0.050 {130.HA} 4.531 0.050 0.050 4962483.50000 267068.50000 1 0
258 {128.HB2} 2.753 0.050 0.050 {128.CB} 38.570 0.050 0.050 {128.HA} 4.596 0.050 0.050 6728085.50000 363042.50000 1 0
259 {128.HB1} 2.700 0.050 0.050 {128.CB} 38.522 0.050 0.050 {128.HA} 4.597 0.050 0.050 6690450.50000 353187.50000 1 0
260 {128.HA} 4.595 0.050 0.050 {128.CA} 53.921 0.050 0.050 {128.HB1} 2.701 0.050 0.050 10899888.00000 506166.50000 1 0
261 {128.HA} 4.598 0.050 0.050 {128.CA} 53.923 0.050 0.050 {131.HB} 1.893 0.050 0.050 3430319.00000 197696.50000 1 0
265 {127.HA} 4.259 0.050 0.050 {127.CA} 62.398 0.050 0.050 {130.HB1} 2.854 0.050 0.050 1299243.00000 88039.50000 1 0
266 {127.HA} 4.259 0.050 0.050 {127.CA} 62.398 0.050 0.050 {131.HD1#} 0.797 0.050 0.050 1051070.50000 60496.50000 1 0
267 {152.HD2#} 0.721 0.050 0.050 {152.CD2} 25.640 0.050 0.050 {152.HG} 1.699 0.050 0.050 14961941.00000 811845.00000 1 0
268 {149.HD1#} 0.742 0.050 0.050 {149.CD1} 25.641 0.050 0.050 {146.HA} 3.821 0.050 0.050 3227540.00000 169529.50000 1 0
269 {152.HD2#} 0.722 0.050 0.050 {152.CD2} 25.700 0.050 0.050 {156.HB#} 3.823 0.050 0.050 3289052.50000 193088.00000 1 0
270 {152.HD2#} 0.726 0.050 0.050 {152.CD2} 25.635 0.050 0.050 {149.HA} 3.933 0.050 0.050 9184169.00000 550102.50000 1 0
271 {149.HD1#} 0.742 0.050 0.050 {149.CD1} 25.641 0.050 0.050 {149.HA} 3.938 0.050 0.050 12326823.50000 739027.50000 1 0
272 {152.HD2#} 0.724 0.050 0.050 {152.CD2} 25.619 0.050 0.050 {152.HA} 4.013 0.050 0.050 4695597.00000 287418.00000 1 0
273 {141.HG2} 1.755 0.050 0.050 {141.CG} 26.109 0.050 0.050 {141.HG1} 1.442 0.050 0.050 4161811.00000 188659.50000 1 0
275 {141.HD1} 1.476 0.050 0.050 {141.CD} 29.423 0.050 0.050 {141.HE2} 2.841 0.050 0.050 1759189.50000 93923.00000 1 0
277 {141.HD1} 1.472 0.050 0.050 {141.CD} 29.434 0.050 0.050 {141.HA} 4.149 0.050 0.050 935117.00000 58802.00000 1 0
278 {143.HA} 4.171 0.050 0.050 {143.CA} 62.352 0.050 0.050 {143.HB1} 3.911 0.050 0.050 2461878.50000 132144.00000 1 0
279 {149.HB2} 1.484 0.050 0.050 {149.CB} 41.962 0.050 0.050 {149.HD2#} 0.851 0.050 0.050 3714363.00000 178454.50000 1 0
280 {146.HB1} 1.842 0.050 0.050 {146.CB} 41.937 0.050 0.050 {146.HD#} 0.847 0.050 0.050 7075649.00000 367707.50000 1 0
281 {159.HD2} 3.595 0.050 0.050 {159.CD} 49.791 0.050 0.050 {159.HG#} 1.963 0.050 0.050 16528477.00000 883228.50000 1 0
282 {154.HB} 1.994 0.050 0.050 {154.CB} 31.630 0.050 0.050 {151.HA} 3.818 0.050 0.050 2559717.00000 107101.50000 1 0
283 {153.HG2#} 0.948 0.050 0.050 {153.CG2} 22.837 0.050 0.050 {150.HA} 4.161 0.050 0.050 6399861.50000 355808.00000 1 0
284 {142.HA} 3.986 0.050 0.050 {142.CA} 58.201 0.050 0.050 {142.HG} 1.960 0.050 0.050 4192875.00000 125327.00000 1 0
285 {141.HE2} 2.839 0.050 0.050 {141.CE} 41.879 0.050 0.050 {141.HD2} 1.537 0.050 0.050 5308561.50000 268975.50000 1 0
286 {141.HE1} 2.774 0.050 0.050 {141.CE} 41.882 0.050 0.050 {141.HG1} 1.434 0.050 0.050 4463972.00000 200721.00000 1 0
287 {138.HD1#} 0.812 0.050 0.050 {138.CD1} 14.964 0.050 0.050 {138.HB} 1.967 0.050 0.050 6705406.50000 293495.00000 1 0
288 {149.HD1#} 0.740 0.050 0.050 {149.CD1} 25.659 0.050 0.050 {149.HB2} 1.493 0.050 0.050 10190764.50000 517714.50000 1 0
289 {146.HD#} 0.857 0.050 0.050 {146.CD2} 25.054 0.050 0.050 {146.HG} 1.522 0.050 0.050 37611175.00000 2051660.00000 1 0
290 {146.HD#} 0.857 0.050 0.050 {146.CD2} 25.062 0.050 0.050 {146.HB1} 1.827 0.050 0.050 24231746.50000 1340751.00000 1 0
291 {146.HB2} 1.531 0.050 0.050 {146.CB} 41.910 0.050 0.050 {143.HA} 4.169 0.050 0.050 1306390.50000 67152.50000 1 0
292 {146.HA} 3.821 0.050 0.050 {146.CA} 58.844 0.050 0.050 {145.HG2#} 0.750 0.050 0.050 2406662.00000 109805.00000 1 0
293 {146.HA} 3.826 0.050 0.050 {146.CA} 58.791 0.050 0.050 {146.HG} 1.517 0.050 0.050 3749574.00000 183473.50000 1 0
294 {145.HG2#} 0.748 0.050 0.050 {145.CG2} 16.718 0.050 0.050 {146.HB1} 1.834 0.050 0.050 3008774.00000 162087.50000 1 0
296 {145.HA} 3.409 0.050 0.050 {145.CA} 65.758 0.050 0.050 {145.HG2#} 0.758 0.050 0.050 3198575.50000 153439.00000 1 0
297 {144.HG1} 2.369 0.050 0.050 {144.CG} 36.197 0.050 0.050 {148.HE#} 1.820 0.050 0.050 1432409.00000 79388.50000 1 0
298 {144.HB2} 2.185 0.050 0.050 {144.CB} 29.682 0.050 0.050 {148.HE#} 1.814 0.050 0.050 1234031.50000 80988.00000 1 0
299 {144.HB2} 2.180 0.050 0.050 {144.CB} 29.647 0.050 0.050 {141.HA} 4.151 0.050 0.050 3565752.00000 182523.00000 1 0
300 {140.HA} 4.037 0.050 0.050 {140.CA} 59.429 0.050 0.050 {140.HB1} 2.089 0.050 0.050 6263105.50000 258972.50000 1 0
301 {144.HA} 4.039 0.050 0.050 {144.CA} 59.409 0.050 0.050 {144.HB2} 2.205 0.050 0.050 12473276.00000 690168.00000 1 0
303 {143.HB1} 3.926 0.050 0.050 {143.CB} 62.357 0.050 0.050 {143.HA} 4.174 0.050 0.050 3698044.00000 201311.50000 1 0
304 {142.HD2#} 0.948 0.050 0.050 {142.CD2} 28.917 0.050 0.050 {142.HG} 1.960 0.050 0.050 7729717.50000 431730.00000 1 0
305 {142.HD1#} 0.687 0.050 0.050 {142.CD1} 24.397 0.050 0.050 {142.HG} 1.958 0.050 0.050 6970637.50000 386089.00000 1 0
307 {141.HE2} 2.839 0.050 0.050 {141.CE} 41.879 0.050 0.050 {141.HD1} 1.487 0.050 0.050 5769695.50000 316942.50000 1 0
308 {141.HE2} 2.839 0.050 0.050 {141.CE} 41.891 0.050 0.050 {141.HG2} 1.751 0.050 0.050 4285366.50000 243999.50000 1 0
309 {141.HE1} 2.774 0.050 0.050 {141.CE} 41.882 0.050 0.050 {141.HD1} 1.487 0.050 0.050 5426600.50000 283209.50000 1 0
310 {139.HA} 4.224 0.050 0.050 {139.CA} 58.151 0.050 0.050 {138.HG2#} 0.814 0.050 0.050 2033140.50000 104023.00000 1 0
311 {139.HA} 4.214 0.050 0.050 {139.CA} 58.110 0.050 0.050 {142.HD2#} 0.943 0.050 0.050 2437485.00000 118245.00000 1 0
312 {138.HB} 1.971 0.050 0.050 {138.CB} 38.178 0.050 0.050 {135.HA} 3.968 0.050 0.050 1284305.00000 66257.00000 1 0
313 {137.HA} 4.131 0.050 0.050 {137.CA} 59.086 0.050 0.050 {140.HB2} 2.225 0.050 0.050 4288840.00000 196673.00000 1 0
316 {131.HG11} 1.565 0.050 0.050 {131.CG1} 29.114 0.050 0.050 {131.HD1#} 0.796 0.050 0.050 11453818.50000 596575.00000 1 0
318 {131.HA} 3.611 0.050 0.050 {131.CA} 64.692 0.050 0.050 {131.HG2#} 0.779 0.050 0.050 4822207.50000 255982.00000 1 0
319 {128.HA} 4.595 0.050 0.050 {128.CA} 53.929 0.050 0.050 {131.HG2#} 0.784 0.050 0.050 5393302.50000 337090.50000 1 0
320 {152.HD2#} 0.722 0.050 0.050 {152.CD2} 25.626 0.050 0.050 {152.HB1} 1.850 0.050 0.050 11732981.50000 646458.00000 1 0
321 {152.HD1#} 0.697 0.050 0.050 {152.CD1} 23.132 0.050 0.050 {152.HA} 4.028 0.050 0.050 12849207.00000 726469.50000 1 0
322 {152.HD1#} 0.697 0.050 0.050 {152.CD1} 23.144 0.050 0.050 {152.HB1} 1.845 0.050 0.050 8310372.50000 465453.50000 1 0
323 {152.HD1#} 0.697 0.050 0.050 {152.CD1} 23.130 0.050 0.050 {152.HG} 1.695 0.050 0.050 14318000.00000 872344.00000 1 0
324 {152.HD1#} 0.698 0.050 0.050 {152.CD1} 23.128 0.050 0.050 {152.HB2} 1.510 0.050 0.050 10416014.50000 614094.00000 1 0
325 {149.HD1#} 0.741 0.050 0.050 {149.CD1} 25.670 0.050 0.050 {148.HB2} 2.185 0.050 0.050 2628082.00000 143157.50000 1 0
326 {142.HD1#} 0.694 0.050 0.050 {142.CD1} 24.331 0.050 0.050 {146.HG} 1.509 0.050 0.050 1648258.50000 89012.50000 1 0
327 {148.HB2} 2.202 0.050 0.050 {148.CB} 34.254 0.050 0.050 {148.HE#} 1.815 0.050 0.050 1854918.50000 59808.00000 1 0
328 {148.HB2} 2.200 0.050 0.050 {148.CB} 34.254 0.050 0.050 {145.HG2#} 0.750 0.050 0.050 1151601.50000 62731.50000 1 0
330 {163.HG#} 1.530 0.050 0.050 {163.CG} 26.928 0.050 0.050 {162.HA} 4.254 0.050 0.050 590577.00000 61441.00000 1 0
331 {163.HD#} 3.111 0.050 0.050 {163.CD} 43.338 0.050 0.050 {163.HA} 4.082 0.050 0.050 675279.00000 73102.50000 1 0
332 {127.HG2#} 1.147 0.050 0.050 {127.CG2} 21.591 0.050 0.050 {127.HA} 4.263 0.050 0.050 15690419.00000 967983.00000 1 0
333 {127.HB} 4.198 0.050 0.050 {127.CB} 69.440 0.050 0.050 {127.HG2#} 1.149 0.050 0.050 29578545.00000 1696055.50000 1 0
334 {160.HA} 4.304 0.050 0.050 {160.CA} 61.896 0.050 0.050 {159.HB2} 1.930 0.050 0.050 478862.50000 63956.00000 1 0
335 {154.HG1#} 0.827 0.050 0.050 {154.CG1} 20.998 0.050 0.050 {157.HB#} 1.374 0.050 0.050 3467086.00000 173072.00000 1 0
336 {154.HG2#} 0.812 0.050 0.050 {154.CG2} 21.923 0.050 0.050 {150.HB2} 3.231 0.050 0.050 1174982.50000 95346.50000 1 0
337 {154.HG2#} 0.806 0.050 0.050 {154.CG2} 21.872 0.050 0.050 {150.HA} 4.146 0.050 0.050 1561343.50000 114732.00000 1 0
338 {154.HG2#} 0.815 0.050 0.050 {154.CG2} 21.932 0.050 0.050 {151.HB} 4.405 0.050 0.050 667762.00000 70426.00000 1 0
341 {152.HD2#} 0.721 0.050 0.050 {152.CD2} 25.464 0.050 0.050 {151.HG2#} 1.182 0.050 0.050 1890881.00000 128942.50000 1 0
342 {149.HB1} 1.875 0.050 0.050 {149.CB} 42.032 0.050 0.050 {149.HD1#} 0.741 0.050 0.050 4794777.50000 225151.00000 1 0
343 {138.HA} 3.495 0.050 0.050 {138.CA} 65.874 0.050 0.050 {138.HG2#} 0.816 0.050 0.050 3904058.50000 190297.00000 1 0
344 {162.HB#} 1.312 0.050 0.050 {162.CB} 19.163 0.050 0.050 {158.HA2} 4.057 0.050 0.050 702500.00000 116023.00000 1 0
345 {159.HA} 4.449 0.050 0.050 {159.CA} 63.488 0.050 0.050 {154.HG1#} 0.831 0.050 0.050 1202796.50000 73840.50000 1 0
347 {156.HB#} 3.815 0.050 0.050 {156.CB} 63.627 0.050 0.050 {153.HG1#} 0.859 0.050 0.050 320301.00000 96692.50000 1 0
349 {149.HD1#} 0.742 0.050 0.050 {149.CD1} 25.641 0.050 0.050 {145.HB} 2.006 0.050 0.050 1624134.00000 96619.00000 1 0
350 {152.HB1} 1.854 0.050 0.050 {152.CB} 42.059 0.050 0.050 {153.HG1#} 0.859 0.050 0.050 5536851.00000 222940.00000 1 0
351 {152.HB2} 1.501 0.050 0.050 {152.CB} 42.066 0.050 0.050 {153.HG1#} 0.859 0.050 0.050 3062039.50000 134359.50000 1 0
352 {152.HB2} 1.501 0.050 0.050 {152.CB} 42.116 0.050 0.050 {152.HA} 4.031 0.050 0.050 1687214.50000 73826.50000 1 0
353 {146.HB2} 1.540 0.050 0.050 {146.CB} 41.910 0.050 0.050 {143.HB2} 4.029 0.050 0.050 1237181.00000 62665.50000 1 0
355 {151.HB} 4.383 0.050 0.050 {151.CB} 68.390 0.050 0.050 {152.HA} 4.031 0.050 0.050 922991.50000 60255.50000 1 0
356 {150.HB2} 3.224 0.050 0.050 {150.CB} 29.283 0.050 0.050 {147.HA2} 3.938 0.050 0.050 1337583.00000 62615.00000 1 0
357 {150.HA} 4.154 0.050 0.050 {150.CA} 60.467 0.050 0.050 {153.HG1#} 0.858 0.050 0.050 2391473.00000 79707.50000 1 0
358 {149.HB2} 1.487 0.050 0.050 {149.CB} 41.978 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 6266701.50000 289451.50000 1 0
359 {149.HB2} 1.487 0.050 0.050 {149.CB} 42.066 0.050 0.050 {149.HB1} 1.876 0.050 0.050 5946231.00000 268011.50000 1 0
360 {135.HA} 3.958 0.050 0.050 {135.CA} 57.947 0.050 0.050 {135.HD1#} 0.608 0.050 0.050 3065446.50000 147448.50000 1 0
362 {146.HB1} 1.841 0.050 0.050 {146.CB} 41.970 0.050 0.050 {146.HG} 1.526 0.050 0.050 11043795.50000 538468.00000 1 0
363 {146.HB2} 1.537 0.050 0.050 {146.CB} 41.972 0.050 0.050 {147.HA2} 3.940 0.050 0.050 964133.00000 58172.00000 1 0
365 {145.HB} 2.006 0.050 0.050 {145.CB} 38.098 0.050 0.050 {145.HD1#} 0.817 0.050 0.050 2975061.00000 120180.00000 1 0
366 {145.HB} 2.006 0.050 0.050 {145.CB} 38.215 0.050 0.050 {145.HG2#} 0.750 0.050 0.050 1786202.00000 73657.00000 1 0
367 {145.HA} 3.414 0.050 0.050 {145.CA} 65.837 0.050 0.050 {144.HB2} 2.192 0.050 0.050 1205892.50000 60634.00000 1 0
369 {145.HA} 3.420 0.050 0.050 {145.CA} 65.832 0.050 0.050 {148.HE#} 1.810 0.050 0.050 1299220.00000 68097.50000 1 0
374 {143.HA} 4.169 0.050 0.050 {143.CA} 62.354 0.050 0.050 {146.HD#} 0.857 0.050 0.050 1296206.00000 65273.00000 1 0
376 {142.HD2#} 0.946 0.050 0.050 {142.CD2} 28.945 0.050 0.050 {146.HG} 1.520 0.050 0.050 4308852.00000 172807.00000 1 0
378 {142.HA} 3.986 0.050 0.050 {142.CA} 58.201 0.050 0.050 {142.HD1#} 0.685 0.050 0.050 4691305.00000 141805.50000 1 0
379 {141.HG2} 1.750 0.050 0.050 {141.CG} 26.191 0.050 0.050 {141.HE1} 2.774 0.050 0.050 1338390.00000 57350.50000 1 0
384 {141.HA} 4.161 0.050 0.050 {141.CA} 59.455 0.050 0.050 {141.HD1} 1.486 0.050 0.050 1935869.50000 89767.00000 1 0
390 {138.HB} 1.978 0.050 0.050 {138.CB} 38.148 0.050 0.050 {138.HD1#} 0.807 0.050 0.050 3500280.00000 152761.50000 1 0
392 {137.HG#} 1.747 0.050 0.050 {137.CG} 27.125 0.050 0.050 {140.HB2} 2.227 0.050 0.050 1409184.50000 80642.50000 1 0
393 {137.HG#} 1.748 0.050 0.050 {137.CG} 26.987 0.050 0.050 {134.HA} 3.955 0.050 0.050 2151359.50000 82805.00000 1 0
394 {137.HD1} 3.236 0.050 0.050 {137.CD} 43.639 0.050 0.050 {141.HE2} 2.839 0.050 0.050 901552.00000 63646.50000 1 0
395 {137.HD1} 3.222 0.050 0.050 {137.CD} 43.646 0.050 0.050 {141.HE1} 2.763 0.050 0.050 862604.50000 58903.50000 1 0
398 {141.HA} 4.163 0.050 0.050 {141.CA} 59.253 0.050 0.050 {140.HB1} 2.088 0.050 0.050 2495596.50000 73440.50000 1 0
399 {136.HB2} 2.817 0.050 0.050 {136.CB} 39.352 0.050 0.050 {136.HB1} 2.624 0.050 0.050 2598458.00000 121847.00000 1 0
400 {136.HB2} 2.815 0.050 0.050 {136.CB} 39.348 0.050 0.050 {133.HA} 4.114 0.050 0.050 1386301.50000 71264.50000 1 0
401 {136.HB2} 2.816 0.050 0.050 {136.CB} 39.360 0.050 0.050 {136.HA} 4.219 0.050 0.050 1227382.50000 61353.00000 1 0
402 {136.HB1} 2.639 0.050 0.050 {136.CB} 39.423 0.050 0.050 {136.HB2} 2.823 0.050 0.050 2785699.50000 131553.50000 1 0
404 {136.HB1} 2.628 0.050 0.050 {136.CB} 39.483 0.050 0.050 {136.HA} 4.214 0.050 0.050 1650102.00000 88617.00000 1 0
406 {135.HA} 3.962 0.050 0.050 {135.CA} 57.801 0.050 0.050 {135.HD2#} 0.714 0.050 0.050 6319177.00000 289116.00000 1 0
407 {135.HA} 3.961 0.050 0.050 {135.CA} 57.801 0.050 0.050 {138.HD1#} 0.807 0.050 0.050 4875662.50000 208313.00000 1 0
409 {135.HA} 3.966 0.050 0.050 {135.CA} 58.127 0.050 0.050 {135.HB1} 1.966 0.050 0.050 4192875.00000 197660.50000 1 0
410 {137.HG#} 1.750 0.050 0.050 {137.CG} 27.132 0.050 0.050 {141.HG1} 1.438 0.050 0.050 2357136.00000 138207.00000 1 0
414 {133.HB#} 1.413 0.050 0.050 {133.CB} 18.194 0.050 0.050 {130.HB1} 2.854 0.050 0.050 1815704.00000 171919.00000 1 0
415 {131.HA} 3.608 0.050 0.050 {131.CA} 64.678 0.050 0.050 {131.HG11} 1.588 0.050 0.050 1606849.00000 81853.50000 1 0
416 {130.HA} 4.539 0.050 0.050 {130.CA} 54.329 0.050 0.050 {130.HB1} 2.855 0.050 0.050 4890846.50000 252406.50000 1 0
417 {127.HA} 4.260 0.050 0.050 {127.CA} 62.385 0.050 0.050 {127.HG2#} 1.145 0.050 0.050 17644890.50000 1049265.00000 1 0
418 {140.HG2} 2.407 0.050 0.050 {140.CG} 36.193 0.050 0.050 {136.HA} 4.225 0.050 0.050 849815.50000 57659.50000 1 0
423 {161.HB1} 3.797 0.050 0.050 {161.CB} 63.642 0.050 0.050 {162.HB#} 1.315 0.050 0.050 127740.00000 118619.50000 1 0
425 {127.HG2#} 1.149 0.050 0.050 {127.CG2} 21.578 0.050 0.050 {127.HB} 4.197 0.050 0.050 36093496.00000 2186330.00000 1 0
426 {160.HG2#} 1.154 0.050 0.050 {160.CG2} 21.437 0.050 0.050 {160.HA} 4.292 0.050 0.050 12906718.00000 540519.50000 1 0
428 {159.HD2} 3.577 0.050 0.050 {159.CD} 49.818 0.050 0.050 {159.HA} 4.448 0.050 0.050 1475539.00000 78225.00000 1 0
432 {155.HB#} 1.409 0.050 0.050 {155.CB} 18.523 0.050 0.050 {156.HA} 4.294 0.050 0.050 3879548.00000 188030.50000 1 0
433 {154.HG2#} 0.807 0.050 0.050 {154.CG2} 21.872 0.050 0.050 {153.HB} 2.139 0.050 0.050 2052552.00000 142259.00000 1 0
434 {154.HG2#} 0.811 0.050 0.050 {154.CG2} 21.940 0.050 0.050 {157.HB#} 1.377 0.050 0.050 2570834.00000 101687.50000 1 0
436 {154.HG1#} 0.826 0.050 0.050 {154.CG1} 21.088 0.050 0.050 {155.HB#} 1.408 0.050 0.050 3103014.00000 137449.00000 1 0
437 {154.HG1#} 0.827 0.050 0.050 {154.CG1} 21.178 0.050 0.050 {153.HB} 2.136 0.050 0.050 2177508.00000 110714.50000 1 0
443 {153.HA} 3.583 0.050 0.050 {153.CA} 66.157 0.050 0.050 {153.HB} 2.146 0.050 0.050 1941172.50000 102381.00000 1 0
444 {152.HG} 1.695 0.050 0.050 {152.CG} 26.474 0.050 0.050 {152.HB2} 1.511 0.050 0.050 2177386.50000 106177.00000 1 0
447 {152.HD2#} 0.719 0.050 0.050 {152.CD2} 25.732 0.050 0.050 {151.HB} 4.384 0.050 0.050 746674.50000 68544.50000 1 0
449 {146.HB1} 1.833 0.050 0.050 {146.CB} 41.908 0.050 0.050 {146.HA} 3.821 0.050 0.050 1676622.00000 92777.50000 1 0
450 {152.HB1} 1.854 0.050 0.050 {152.CB} 42.059 0.050 0.050 {152.HB2} 1.501 0.050 0.050 7987883.50000 399771.50000 1 0
452 {152.HA} 4.032 0.050 0.050 {152.CA} 57.368 0.050 0.050 {152.HG} 1.707 0.050 0.050 1666604.00000 82176.50000 1 0
453 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.863 0.050 0.050 {152.HD2#} 0.723 0.050 0.050 4782144.50000 229660.50000 1 0
454 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.909 0.050 0.050 {152.HB1} 1.854 0.050 0.050 1628530.00000 95835.00000 1 0
455 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.909 0.050 0.050 {148.HA} 4.173 0.050 0.050 3606799.50000 188969.50000 1 0
457 {150.HB2} 3.226 0.050 0.050 {150.CB} 29.383 0.050 0.050 {154.HG2#} 0.809 0.050 0.050 1147159.00000 59430.00000 1 0
459 {150.HA} 4.146 0.050 0.050 {150.CA} 60.467 0.050 0.050 {154.HG2#} 0.809 0.050 0.050 2149998.00000 70686.50000 1 0
460 {149.HD2#} 0.862 0.050 0.050 {149.CD2} 27.856 0.050 0.050 {145.HB} 2.006 0.050 0.050 1816337.00000 97117.00000 1 0
461 {149.HD2#} 0.868 0.050 0.050 {149.CD2} 27.873 0.050 0.050 {149.HB2} 1.498 0.050 0.050 5108777.50000 282161.50000 1 0
462 {149.HB1} 1.877 0.050 0.050 {149.CB} 41.881 0.050 0.050 {146.HA} 3.832 0.050 0.050 1776150.00000 86406.50000 1 0
463 {152.HB2} 1.501 0.050 0.050 {152.CB} 42.066 0.050 0.050 {149.HA} 3.938 0.050 0.050 1637227.50000 81632.50000 1 0
466 {152.HB2} 1.506 0.050 0.050 {152.CB} 42.127 0.050 0.050 {152.HG} 1.706 0.050 0.050 2719972.50000 145861.50000 1 0
468 {152.HB2} 1.497 0.050 0.050 {152.CB} 42.153 0.050 0.050 {152.HD2#} 0.721 0.050 0.050 8121954.50000 409407.00000 1 0
470 {148.HG2} 2.722 0.050 0.050 {148.CG} 33.033 0.050 0.050 {148.HB2} 2.207 0.050 0.050 1681265.50000 84428.00000 1 0
474 {141.HA} 4.164 0.050 0.050 {141.CA} 59.389 0.050 0.050 {144.HG2} 2.121 0.050 0.050 1870693.00000 79670.50000 1 0
478 {146.HG} 1.527 0.050 0.050 {146.CG} 27.975 0.050 0.050 {146.HB1} 1.834 0.050 0.050 3610035.50000 168630.00000 1 0
481 {146.HD#} 0.858 0.050 0.050 {146.CD2} 25.038 0.050 0.050 {142.HG} 1.953 0.050 0.050 7831569.00000 393918.50000 1 0
483 {149.HB1} 1.876 0.050 0.050 {149.CB} 41.981 0.050 0.050 {149.HB2} 1.487 0.050 0.050 6256509.00000 278574.00000 1 0
484 {152.HB1} 1.854 0.050 0.050 {152.CB} 42.059 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 3743394.50000 226253.50000 1 0
485 {152.HB1} 1.850 0.050 0.050 {152.CB} 42.122 0.050 0.050 {152.HD2#} 0.724 0.050 0.050 5652283.50000 337229.00000 1 0
486 {146.HB2} 1.531 0.050 0.050 {146.CB} 41.910 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 3283846.50000 141636.50000 1 0
491 {146.HA} 3.821 0.050 0.050 {146.CA} 58.844 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 2349598.50000 102295.00000 1 0
496 {145.HD1#} 0.821 0.050 0.050 {145.CD1} 15.257 0.050 0.050 {142.HA} 3.982 0.050 0.050 3490834.00000 144684.50000 1 0
500 {145.HD1#} 0.819 0.050 0.050 {145.CD1} 15.320 0.050 0.050 {144.HB2} 2.192 0.050 0.050 1445438.50000 64767.00000 1 0
501 {145.HD1#} 0.820 0.050 0.050 {145.CD1} 15.385 0.050 0.050 {145.HB} 2.006 0.050 0.050 4861885.00000 234303.50000 1 0
502 {145.HB} 2.008 0.050 0.050 {145.CB} 38.215 0.050 0.050 {145.HG1#} 0.675 0.050 0.050 1363710.50000 61895.50000 1 0
504 {145.HA} 3.404 0.050 0.050 {145.CA} 65.753 0.050 0.050 {146.HD1#} 0.850 0.050 0.050 3862647.50000 186785.00000 1 0
505 {144.HG2} 2.111 0.050 0.050 {144.CG} 36.195 0.050 0.050 {141.HA} 4.167 0.050 0.050 1064247.50000 58459.00000 1 0
512 {142.HG} 1.960 0.050 0.050 {142.CG} 26.450 0.050 0.050 {142.HD2#} 0.948 0.050 0.050 2117928.50000 88861.00000 1 0
513 {142.HG} 1.958 0.050 0.050 {142.CG} 26.499 0.050 0.050 {138.HG2#} 0.812 0.050 0.050 2020944.50000 97010.00000 1 0
514 {142.HG} 1.959 0.050 0.050 {142.CG} 26.499 0.050 0.050 {145.HD1#} 0.820 0.050 0.050 2310306.50000 97010.00000 1 0
515 {142.HG} 1.956 0.050 0.050 {142.CG} 26.499 0.050 0.050 {142.HD1#} 0.699 0.050 0.050 2521809.00000 115669.00000 1 0
519 {142.HA} 3.986 0.050 0.050 {142.CA} 58.201 0.050 0.050 {145.HD1#} 0.819 0.050 0.050 3585098.00000 171685.00000 1 0
521 {134.HA} 3.955 0.050 0.050 {134.CA} 58.201 0.050 0.050 {137.HB2} 1.980 0.050 0.050 3694454.50000 170527.50000 1 0
526 {141.HG1} 1.435 0.050 0.050 {141.CG} 25.985 0.050 0.050 {141.HA} 4.167 0.050 0.050 1163313.00000 60300.00000 1 0
527 {141.HG1} 1.427 0.050 0.050 {141.CG} 26.034 0.050 0.050 {141.HG2} 1.750 0.050 0.050 2910716.50000 131892.00000 1 0
530 {141.HD2} 1.534 0.050 0.050 {141.CD} 29.447 0.050 0.050 {141.HE2} 2.839 0.050 0.050 1618519.50000 83194.50000 1 0
531 {141.HD1} 1.487 0.050 0.050 {141.CD} 29.328 0.050 0.050 {141.HE1} 2.774 0.050 0.050 1673334.00000 71448.00000 1 0
534 {141.HA} 4.169 0.050 0.050 {141.CA} 59.339 0.050 0.050 {141.HG2} 1.765 0.050 0.050 2695328.00000 142188.50000 1 0
538 {140.HB1} 2.096 0.050 0.050 {140.CB} 29.498 0.050 0.050 {141.HA} 4.160 0.050 0.050 2202141.00000 118662.50000 1 0
539 {139.HA} 4.219 0.050 0.050 {139.CA} 58.182 0.050 0.050 {139.HB1} 2.681 0.050 0.050 3721658.50000 129065.50000 1 0
541 {138.HG2#} 0.808 0.050 0.050 {138.CG2} 16.400 0.050 0.050 {135.HA} 3.961 0.050 0.050 1804833.50000 89481.00000 1 0
542 {138.HG2#} 0.814 0.050 0.050 {138.CG2} 16.328 0.050 0.050 {138.HB} 1.959 0.050 0.050 7895514.00000 403750.50000 1 0
545 {145.HB} 2.009 0.050 0.050 {145.CB} 38.099 0.050 0.050 {149.HD2#} 0.867 0.050 0.050 1312643.50000 63967.00000 1 0
555 {138.HA} 3.490 0.050 0.050 {138.CA} 65.901 0.050 0.050 {138.HG1#} 0.933 0.050 0.050 2307099.00000 117215.00000 1 0
558 {138.HA} 3.489 0.050 0.050 {138.CA} 65.873 0.050 0.050 {138.HB} 1.954 0.050 0.050 1451220.00000 73474.50000 1 0
565 {137.HG#} 1.750 0.050 0.050 {137.CG} 26.995 0.050 0.050 {137.HD1} 3.226 0.050 0.050 8091172.50000 421087.50000 1 0
568 {137.HD1} 3.227 0.050 0.050 {137.CD} 43.589 0.050 0.050 {137.HB1} 1.910 0.050 0.050 2037467.00000 106335.00000 1 0
575 {137.HD2} 3.168 0.050 0.050 {137.CD} 43.719 0.050 0.050 {137.HB1} 1.910 0.050 0.050 1942647.50000 121450.00000 1 0
576 {137.HD2} 3.163 0.050 0.050 {137.CD} 43.624 0.050 0.050 {137.HA} 4.133 0.050 0.050 1661344.00000 87709.00000 1 0
587 {137.HA} 4.128 0.050 0.050 {137.CA} 59.149 0.050 0.050 {137.HG#} 1.754 0.050 0.050 3411362.50000 169214.00000 1 0
588 {137.HA} 4.132 0.050 0.050 {137.CA} 59.115 0.050 0.050 {140.HB1} 2.094 0.050 0.050 2445653.00000 114816.50000 1 0
600 {135.HD2#} 0.715 0.050 0.050 {135.CD2} 27.222 0.050 0.050 {131.HA} 3.603 0.050 0.050 2730380.00000 167211.00000 1 0
601 {149.HD1#} 0.743 0.050 0.050 {149.CD1} 25.649 0.050 0.050 {149.HG} 1.720 0.050 0.050 15125431.50000 837792.50000 1 0
602 {149.HD1#} 0.742 0.050 0.050 {149.CD1} 25.641 0.050 0.050 {149.HB1} 1.876 0.050 0.050 8438317.00000 503226.50000 1 0
604 {135.HD1#} 0.604 0.050 0.050 {135.CD1} 22.840 0.050 0.050 {135.HB1} 1.965 0.050 0.050 5661861.50000 308167.00000 1 0
614 {134.HA} 3.955 0.050 0.050 {134.CA} 58.231 0.050 0.050 {138.HG2#} 0.807 0.050 0.050 3816452.50000 188743.50000 1 0
615 {134.HA} 3.955 0.050 0.050 {134.CA} 58.231 0.050 0.050 {137.HB1} 1.911 0.050 0.050 2094336.00000 114953.50000 1 0
616 {133.HB#} 1.404 0.050 0.050 {133.CB} 18.034 0.050 0.050 {136.HB2} 2.817 0.050 0.050 3550062.00000 188829.00000 1 0
617 {133.HB#} 1.395 0.050 0.050 {133.CB} 18.194 0.050 0.050 {136.HB1} 2.636 0.050 0.050 1477070.00000 105157.50000 1 0
618 {133.HB#} 1.405 0.050 0.050 {133.CB} 18.144 0.050 0.050 {134.HA} 3.955 0.050 0.050 3006465.50000 188259.00000 1 0
619 {133.HB#} 1.404 0.050 0.050 {133.CB} 17.944 0.050 0.050 {133.HA} 4.123 0.050 0.050 27127976.50000 1078530.50000 1 0
621 {133.HB#} 1.404 0.050 0.050 {133.CB} 18.194 0.050 0.050 {137.HB2} 1.980 0.050 0.050 3459666.00000 227898.00000 1 0
624 {133.HA} 4.117 0.050 0.050 {133.CA} 55.011 0.050 0.050 {136.HB2} 2.810 0.050 0.050 2204252.00000 123294.00000 1 0
626 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.203 0.050 0.050 {135.HD1#} 0.601 0.050 0.050 1476835.50000 119155.50000 1 0
627 {132.HA} 3.541 0.050 0.050 {132.CA} 67.372 0.050 0.050 {135.HD2#} 0.724 0.050 0.050 1648917.50000 80110.50000 1 0
633 {131.HG12} 0.984 0.050 0.050 {131.CG1} 29.009 0.050 0.050 {131.HB} 1.901 0.050 0.050 1838088.00000 84988.50000 1 0
636 {131.HB} 1.896 0.050 0.050 {131.CB} 37.692 0.050 0.050 {131.HD1#} 0.786 0.050 0.050 11158310.00000 588421.00000 1 0
645 {133.HB#} 1.404 0.050 0.050 {133.CB} 18.194 0.050 0.050 {130.HB2} 2.789 0.050 0.050 3303263.00000 163962.00000 1 0
646 {127.HA} 4.259 0.050 0.050 {127.CA} 62.398 0.050 0.050 {130.HB2} 2.789 0.050 0.050 1780031.00000 71857.00000 1 0
653 {129.HA} 4.481 0.050 0.050 {129.CA} 55.137 0.050 0.050 {132.HG2#} 1.105 0.050 0.050 2093062.50000 109679.50000 1 0
654 {129.HA} 4.489 0.050 0.050 {129.CA} 54.892 0.050 0.050 {133.HB#} 1.411 0.050 0.050 1102687.50000 62688.50000 1 0
663 {128.HA} 4.596 0.050 0.050 {128.CA} 53.921 0.050 0.050 {128.HB2} 2.754 0.050 0.050 9873900.50000 542367.00000 1 0
666 {128.HA} 4.601 0.050 0.050 {128.CA} 53.972 0.050 0.050 {127.HG2#} 1.130 0.050 0.050 1383586.50000 81897.00000 1 0
667 {127.HG2#} 1.149 0.050 0.050 {127.CG2} 21.627 0.050 0.050 {128.HB1} 2.701 0.050 0.050 736911.00000 142531.50000 1 0
668 {127.HA} 4.259 0.050 0.050 {127.CA} 62.279 0.050 0.050 {128.HB2} 2.751 0.050 0.050 1150546.50000 71191.50000 1 0
670 {159.HD1} 3.581 0.050 0.050 {159.CD} 49.792 0.050 0.050 {159.HG#} 1.966 0.050 0.050 15610452.00000 838633.00000 1 0
671 {159.HD1} 3.582 0.050 0.050 {159.CD} 49.801 0.050 0.050 {158.HA1} 4.047 0.050 0.050 16230453.50000 837539.00000 1 0
672 {159.HD2} 3.596 0.050 0.050 {159.CD} 49.777 0.050 0.050 {158.HA1} 4.043 0.050 0.050 16858263.00000 890571.50000 1 0
675 {159.HB1} 2.233 0.050 0.050 {159.CB} 32.102 0.050 0.050 {159.HG#} 1.963 0.050 0.050 8277026.00000 510260.50000 1 0
676 {159.HA} 4.446 0.050 0.050 {159.CA} 63.310 0.050 0.050 {159.HG2} 1.963 0.050 0.050 4566801.50000 259424.50000 1 0
678 {157.HB#} 1.374 0.050 0.050 {157.CB} 19.335 0.050 0.050 {158.HA2} 4.065 0.050 0.050 1323608.00000 98011.00000 1 0
679 {156.HB#} 3.814 0.050 0.050 {156.CB} 63.677 0.050 0.050 {152.HD2#} 0.723 0.050 0.050 2128890.50000 331764.50000 1 0
680 {156.HB#} 3.814 0.050 0.050 {156.CB} 63.627 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 1968002.00000 318500.50000 1 0
681 {156.HB#} 3.815 0.050 0.050 {156.CB} 63.623 0.050 0.050 {157.HB#} 1.374 0.050 0.050 1007500.00000 137438.50000 1 0
682 {156.HB#} 3.814 0.050 0.050 {156.CB} 63.623 0.050 0.050 {155.HB#} 1.408 0.050 0.050 1635411.50000 189005.50000 1 0
683 {155.HB#} 1.409 0.050 0.050 {155.CB} 18.383 0.050 0.050 {155.HA} 4.164 0.050 0.050 31463100.00000 1597365.00000 1 0
684 {155.HA} 4.160 0.050 0.050 {155.CA} 53.765 0.050 0.050 {154.HG2#} 0.809 0.050 0.050 2446528.00000 124841.50000 1 0
687 {154.HG2#} 0.806 0.050 0.050 {154.CG2} 21.892 0.050 0.050 {155.HA} 4.162 0.050 0.050 1602001.00000 101495.50000 1 0
690 {154.HA} 3.715 0.050 0.050 {154.CA} 65.197 0.050 0.050 {154.HG2#} 0.816 0.050 0.050 20537742.00000 1154465.00000 1 0
695 {152.HG} 1.696 0.050 0.050 {152.CG} 26.635 0.050 0.050 {152.HD2#} 0.724 0.050 0.050 8645453.00000 446139.50000 1 0
703 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.863 0.050 0.050 {152.HD1#} 0.697 0.050 0.050 4707488.50000 209723.00000 1 0
711 {151.HA} 3.823 0.050 0.050 {151.CA} 66.189 0.050 0.050 {152.HA} 4.051 0.050 0.050 1150755.00000 67235.00000 1 0
720 {146.HG} 1.521 0.050 0.050 {146.CG} 27.949 0.050 0.050 {149.HD1#} 0.742 0.050 0.050 1826662.00000 78347.50000 1 0
724 {135.HD2#} 0.717 0.050 0.050 {135.CD2} 27.150 0.050 0.050 {135.HB1} 1.967 0.050 0.050 5771720.50000 330891.00000 1 0
725 {126.HA} 4.494 0.050 0.050 {126.CA} 58.079 0.050 0.050 {126.HB#} 3.852 0.050 0.050 12529736.50000 738299.50000 1 0
727 {159.HG#} 1.963 0.050 0.050 {159.CG} 27.209 0.050 0.050 {158.HA1} 4.038 0.050 0.050 1705088.00000 96583.50000 1 0
729 {153.HA} 3.591 0.050 0.050 {153.CA} 66.051 0.050 0.050 {152.HD1#} 0.697 0.050 0.050 4775862.50000 250641.00000 1 0
730 {153.HA} 3.592 0.050 0.050 {153.CA} 66.051 0.050 0.050 {152.HD2#} 0.723 0.050 0.050 3954454.50000 195033.00000 1 0
738 {141.HE1} 2.764 0.050 0.050 {141.CE} 41.698 0.050 0.050 {141.HB1} 2.123 0.050 0.050 1413870.00000 80730.50000 1 0
743 {137.HG#} 1.754 0.050 0.050 {137.CG} 26.987 0.050 0.050 {136.HB2} 2.817 0.050 0.050 1830819.50000 98356.50000 1 0
752 {135.HD2#} 0.717 0.050 0.050 {135.CD2} 27.138 0.050 0.050 {132.HG2#} 1.104 0.050 0.050 2307274.00000 134221.00000 1 0
759 {133.HB#} 1.395 0.050 0.050 {133.CB} 18.194 0.050 0.050 {129.HB#} 2.618 0.050 0.050 1528426.50000 95564.50000 1 0
760 {133.HB#} 1.410 0.050 0.050 {133.CB} 18.121 0.050 0.050 {134.HD#} 3.071 0.050 0.050 538731.00000 152343.00000 1 0
762 {133.HB#} 1.402 0.050 0.050 {133.CB} 18.118 0.050 0.050 {137.HD1} 3.238 0.050 0.050 429285.00000 86781.00000 1 0
763 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.353 0.050 0.050 {129.HA} 4.478 0.050 0.050 2110715.00000 109921.50000 1 0
766 {131.HG2#} 0.777 0.050 0.050 {131.CG2} 17.126 0.050 0.050 {128.HA} 4.592 0.050 0.050 1086219.50000 58889.00000 1 0
771 {131.HD1#} 0.796 0.050 0.050 {131.CD1} 13.245 0.050 0.050 {127.HA} 4.260 0.050 0.050 975059.50000 61398.50000 1 0
773 {131.HD1#} 0.799 0.050 0.050 {131.CD1} 13.116 0.050 0.050 {127.HB} 4.198 0.050 0.050 823275.00000 74940.00000 1 0
780 {130.HB2} 2.797 0.050 0.050 {130.CB} 38.281 0.050 0.050 {127.HA} 4.255 0.050 0.050 1069375.00000 58922.00000 1 0
783 {157.HB#} 1.375 0.050 0.050 {157.CB} 19.333 0.050 0.050 {154.HA} 3.708 0.050 0.050 4714722.50000 303505.00000 1 0
789 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.909 0.050 0.050 {152.HG} 1.689 0.050 0.050 2932425.00000 102619.50000 1 0
794 {150.HB2} 3.226 0.050 0.050 {150.CB} 29.383 0.050 0.050 {154.HG1#} 0.822 0.050 0.050 1158576.00000 58834.50000 1 0
798 {150.HB1} 3.218 0.050 0.050 {150.CB} 29.232 0.050 0.050 {150.HA} 4.141 0.050 0.050 4268636.00000 226284.00000 1 0
800 {150.HA} 4.146 0.050 0.050 {150.CA} 60.467 0.050 0.050 {154.HG1#} 0.822 0.050 0.050 2149998.00000 107246.50000 1 0
802 {149.HB2} 1.487 0.050 0.050 {149.CB} 41.928 0.050 0.050 {149.HA} 3.938 0.050 0.050 2421870.00000 111265.00000 1 0
806 {148.HB2} 2.200 0.050 0.050 {148.CB} 34.254 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 1151115.00000 59787.50000 1 0
810 {148.HA} 4.165 0.050 0.050 {148.CA} 59.368 0.050 0.050 {148.HB2} 2.190 0.050 0.050 4319787.50000 199530.50000 1 0
811 {146.HG} 1.528 0.050 0.050 {146.CG} 27.663 0.050 0.050 {142.HA} 4.001 0.050 0.050 403212.00000 63736.00000 1 0
812 {146.HD#} 0.857 0.050 0.050 {146.CD2} 25.076 0.050 0.050 {142.HB1} 2.168 0.050 0.050 11935575.00000 665979.00000 1 0
826 {145.HD1#} 0.826 0.050 0.050 {145.CD1} 15.170 0.050 0.050 {141.HG2} 1.750 0.050 0.050 1085652.00000 58855.00000 1 0
851 {142.HG} 1.965 0.050 0.050 {142.CG} 26.700 0.050 0.050 {142.HB1} 2.197 0.050 0.050 2847927.00000 78177.50000 1 0
852 {142.HD2#} 0.947 0.050 0.050 {142.CD2} 28.945 0.050 0.050 {141.HB2} 1.603 0.050 0.050 2975502.50000 122536.00000 1 0
853 {142.HD2#} 0.947 0.050 0.050 {142.CD2} 28.913 0.050 0.050 {142.HB1} 2.192 0.050 0.050 3929177.00000 218940.00000 1 0
854 {142.HD2#} 0.952 0.050 0.050 {142.CD2} 28.845 0.050 0.050 {139.HB2} 2.735 0.050 0.050 1002414.50000 61048.00000 1 0
856 {142.HD1#} 0.687 0.050 0.050 {142.CD1} 24.457 0.050 0.050 {142.HB1} 2.172 0.050 0.050 2439499.00000 121514.50000 1 0
857 {142.HD1#} 0.691 0.050 0.050 {142.CD1} 24.359 0.050 0.050 {139.HB2} 2.732 0.050 0.050 684239.00000 61232.00000 1 0
914 {140.HB1} 2.090 0.050 0.050 {140.CB} 29.535 0.050 0.050 {140.HA} 4.039 0.050 0.050 4343453.50000 226767.00000 1 0
915 {139.HA} 4.213 0.050 0.050 {139.CA} 58.085 0.050 0.050 {142.HB1} 2.196 0.050 0.050 1258585.00000 61276.50000 1 0
916 {139.HA} 4.219 0.050 0.050 {139.CA} 58.182 0.050 0.050 {139.HB2} 2.723 0.050 0.050 2977860.50000 118301.00000 1 0
918 {138.HG2#} 0.811 0.050 0.050 {138.CG2} 16.447 0.050 0.050 {142.HB1} 2.167 0.050 0.050 1152892.00000 66955.50000 1 0
924 {137.HB2} 1.977 0.050 0.050 {137.CB} 30.470 0.050 0.050 {137.HA} 4.122 0.050 0.050 2354736.50000 113152.50000 1 0
929 {136.HA} 4.217 0.050 0.050 {136.CA} 57.707 0.050 0.050 {139.HB2} 2.723 0.050 0.050 2963404.00000 131060.00000 1 0
931 {135.HA} 3.948 0.050 0.050 {135.CA} 58.130 0.050 0.050 {138.HG1#} 0.926 0.050 0.050 1077787.50000 68833.00000 1 0
949 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.353 0.050 0.050 {135.HB1} 1.961 0.050 0.050 2712430.00000 156712.50000 1 0
952 {131.HG2#} 0.775 0.050 0.050 {131.CG2} 17.124 0.050 0.050 {135.HB1} 1.961 0.050 0.050 5128807.00000 256412.00000 1 0
955 {131.HD1#} 0.799 0.050 0.050 {131.CD1} 13.154 0.050 0.050 {128.HA} 4.593 0.050 0.050 3552660.50000 209824.50000 1 0
962 {126.HA} 4.494 0.050 0.050 {126.CA} 58.132 0.050 0.050 {127.HG2#} 1.136 0.050 0.050 1421327.50000 96963.50000 1 0
966 {154.HG2#} 0.810 0.050 0.050 {154.CG2} 21.893 0.050 0.050 {151.HA} 3.801 0.050 0.050 6571150.00000 441956.50000 1 0
967 {153.HG1#} 0.865 0.050 0.050 {153.CG1} 21.236 0.050 0.050 {152.HB2} 1.501 0.050 0.050 1209965.00000 96773.00000 1 0
968 {159.HD1} 3.598 0.050 0.050 {159.CD} 49.734 0.050 0.050 {159.HA} 4.437 0.050 0.050 1319724.50000 83271.50000 1 0
973 {139.HB1} 2.682 0.050 0.050 {139.CB} 41.353 0.050 0.050 {139.HA} 4.221 0.050 0.050 1777711.00000 86679.00000 1 0
974 {139.HB2} 2.711 0.050 0.050 {139.CB} 41.374 0.050 0.050 {139.HA} 4.217 0.050 0.050 1769901.50000 86526.00000 1 0
978 {129.HA} 4.474 0.050 0.050 {129.CA} 55.179 0.050 0.050 {128.HB2} 2.753 0.050 0.050 965949.00000 63622.00000 1 0
981 {129.HB2} 2.612 0.050 0.050 {129.CB} 40.714 0.050 0.050 {129.HA} 4.479 0.050 0.050 7568679.50000 421697.50000 1 0
984 {135.HD2#} 0.714 0.050 0.050 {135.CD2} 27.160 0.050 0.050 {135.HG} 1.851 0.050 0.050 8863534.00000 500934.50000 1 0
987 {157.HB#} 1.374 0.050 0.050 {157.CB} 19.335 0.050 0.050 {153.HG1#} 0.859 0.050 0.050 7177983.00000 409997.50000 1 0
988 {157.HB#} 1.374 0.050 0.050 {157.CB} 19.335 0.050 0.050 {154.HG#} 0.816 0.050 0.050 7131306.50000 375777.00000 1 0
994 {154.HG1#} 0.822 0.050 0.050 {154.CG1} 21.106 0.050 0.050 {151.HA} 3.809 0.050 0.050 3874248.50000 288773.50000 1 0
996 {153.HG2#} 0.952 0.050 0.050 {153.CG2} 22.716 0.050 0.050 {150.HB#} 3.228 0.050 0.050 1161540.50000 86841.50000 1 0
997 {153.HG2#} 0.947 0.050 0.050 {153.CG2} 22.733 0.050 0.050 {157.HB#} 1.379 0.050 0.050 1394533.50000 88671.50000 1 0
1001 {152.HG} 1.688 0.050 0.050 {152.CG} 26.694 0.050 0.050 {152.HB1} 1.855 0.050 0.050 2934125.50000 146382.50000 1 0
1002 {152.HG} 1.716 0.050 0.050 {152.CG} 26.194 0.050 0.050 {152.HB2} 1.483 0.050 0.050 2072220.50000 89837.50000 1 0
1003 {149.HD1#} 0.739 0.050 0.050 {149.CD1} 25.688 0.050 0.050 {145.HA} 3.405 0.050 0.050 1671380.00000 95072.50000 1 0
1004 {152.HD1#} 0.697 0.050 0.050 {152.CD1} 23.115 0.050 0.050 {155.HB#} 1.409 0.050 0.050 4359630.50000 249099.00000 1 0
1006 {152.HD1#} 0.695 0.050 0.050 {152.CD1} 23.126 0.050 0.050 {156.HB#} 3.812 0.050 0.050 7841912.50000 441536.00000 1 0
1007 {152.HD1#} 0.698 0.050 0.050 {152.CD1} 23.098 0.050 0.050 {149.HA} 3.926 0.050 0.050 3452146.50000 201507.00000 1 0
1010 {151.HG2#} 1.188 0.050 0.050 {151.CG2} 21.922 0.050 0.050 {148.HG1} 2.468 0.050 0.050 621467.00000 70312.00000 1 0
1012 {150.HB2} 3.224 0.050 0.050 {150.CB} 29.383 0.050 0.050 {147.HA1} 3.850 0.050 0.050 1320724.00000 60191.00000 1 0
1014 {149.HG} 1.712 0.050 0.050 {149.CG} 26.750 0.050 0.050 {149.HA} 3.928 0.050 0.050 1527723.00000 71033.00000 1 0
1019 {149.HG} 1.716 0.050 0.050 {149.CG} 26.796 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 6119845.00000 233841.00000 1 0
1020 {149.HD2#} 0.868 0.050 0.050 {149.CD2} 27.881 0.050 0.050 {148.HB2} 2.196 0.050 0.050 1774471.50000 87816.00000 1 0
1021 {149.HD2#} 0.868 0.050 0.050 {149.CD2} 27.835 0.050 0.050 {145.HA} 3.407 0.050 0.050 2492866.50000 124900.50000 1 0
1025 {149.HB2} 1.482 0.050 0.050 {149.CB} 41.968 0.050 0.050 {149.HG} 1.712 0.050 0.050 2751681.00000 129758.50000 1 0
1026 {149.HA} 3.931 0.050 0.050 {149.CA} 57.926 0.050 0.050 {149.HG} 1.735 0.050 0.050 2355744.00000 108539.50000 1 0
1029 {148.HB1} 1.784 0.050 0.050 {148.CB} 34.217 0.050 0.050 {148.HB2} 2.199 0.050 0.050 1766381.00000 83465.50000 1 0
1030 {148.HG1} 2.471 0.050 0.050 {148.CG} 33.120 0.050 0.050 {148.HB1} 1.796 0.050 0.050 1754004.00000 82264.00000 1 0
1033 {148.HG2} 2.719 0.050 0.050 {148.CG} 33.033 0.050 0.050 {148.HB1} 1.792 0.050 0.050 1727434.00000 83469.50000 1 0
1043 {148.HB2} 2.193 0.050 0.050 {148.CB} 34.112 0.050 0.050 {148.HB1} 1.794 0.050 0.050 1854918.50000 89180.50000 1 0
1045 {148.HB1} 1.765 0.050 0.050 {148.CB} 34.239 0.050 0.050 {148.HB2} 2.186 0.050 0.050 1364267.50000 65270.00000 1 0
1046 {148.HB1} 1.807 0.050 0.050 {148.CB} 33.970 0.050 0.050 {148.HB2} 2.208 0.050 0.050 1297425.00000 67765.50000 1 0
1054 {148.HB2} 2.217 0.050 0.050 {148.CB} 34.170 0.050 0.050 {148.HB1} 1.778 0.050 0.050 1473734.50000 71335.00000 1 0
1059 {146.HD#} 0.856 0.050 0.050 {146.CD2} 25.080 0.050 0.050 {149.HG} 1.713 0.050 0.050 4548255.50000 257596.50000 1 0
1062 {146.HA} 3.816 0.050 0.050 {146.CA} 58.691 0.050 0.050 {149.HG} 1.722 0.050 0.050 1201266.00000 65956.00000 1 0
1063 {145.HG2#} 0.750 0.050 0.050 {145.CG2} 16.696 0.050 0.050 {149.HG} 1.735 0.050 0.050 2884918.50000 167261.50000 1 0
1064 {145.HD1#} 0.821 0.050 0.050 {145.CD1} 15.406 0.050 0.050 {142.HB2} 1.160 0.050 0.050 1659573.00000 81279.50000 1 0
1065 {145.HD1#} 0.821 0.050 0.050 {145.CD1} 15.307 0.050 0.050 {141.HB1} 2.121 0.050 0.050 2020612.00000 115955.50000 1 0
1068 {144.HG1} 2.377 0.050 0.050 {144.CG} 36.165 0.050 0.050 {144.HB1} 2.133 0.050 0.050 19197932.00000 1098709.50000 1 0
1069 {144.HB1} 2.127 0.050 0.050 {144.CB} 29.666 0.050 0.050 {144.HA} 4.041 0.050 0.050 1713254.00000 84997.00000 1 0
1071 {144.HB1} 2.119 0.050 0.050 {144.CB} 29.623 0.050 0.050 {144.HG1} 2.374 0.050 0.050 1588714.00000 72841.00000 1 0
1072 {140.HB1} 2.084 0.050 0.050 {140.CB} 29.551 0.050 0.050 {140.HG2} 2.411 0.050 0.050 3604624.50000 193353.50000 1 0
1074 {144.HA} 4.042 0.050 0.050 {144.CA} 59.424 0.050 0.050 {144.HG1} 2.379 0.050 0.050 3946853.00000 214488.00000 1 0
1075 {144.HA} 4.040 0.050 0.050 {144.CA} 59.429 0.050 0.050 {144.HG2} 2.121 0.050 0.050 5962130.50000 305619.00000 1 0
1091 {141.HG2} 1.739 0.050 0.050 {141.CG} 26.111 0.050 0.050 {141.HB1} 2.113 0.050 0.050 1258378.50000 59699.50000 1 0
1112 {140.HG2} 2.423 0.050 0.050 {140.CG} 36.165 0.050 0.050 {140.HG1} 2.231 0.050 0.050 27328346.50000 1510772.00000 1 0
1115 {138.HG2#} 0.806 0.050 0.050 {138.CG2} 16.187 0.050 0.050 {141.HB1} 2.137 0.050 0.050 1270054.00000 61420.50000 1 0
1119 {137.HG#} 1.751 0.050 0.050 {137.CG} 26.987 0.050 0.050 {141.HE1} 2.774 0.050 0.050 1932994.00000 89066.00000 1 0
1120 {137.HG#} 1.755 0.050 0.050 {137.CG} 26.987 0.050 0.050 {141.HE2} 2.839 0.050 0.050 1450535.00000 84825.00000 1 0
1126 {135.HG} 1.844 0.050 0.050 {135.CG} 26.009 0.050 0.050 {131.HD1#} 0.797 0.050 0.050 2079280.00000 97911.50000 1 0
1127 {135.HG} 1.844 0.050 0.050 {135.CG} 26.009 0.050 0.050 {131.HG2#} 0.775 0.050 0.050 2230930.50000 111235.50000 1 0
1128 {135.HG} 1.849 0.050 0.050 {135.CG} 26.078 0.050 0.050 {135.HD2#} 0.704 0.050 0.050 2436996.50000 114023.00000 1 0
1129 {135.HG} 1.847 0.050 0.050 {135.CG} 25.997 0.050 0.050 {135.HD1#} 0.601 0.050 0.050 2655720.00000 129777.50000 1 0
1130 {135.HD1#} 0.602 0.050 0.050 {135.CD1} 22.817 0.050 0.050 {135.HG} 1.852 0.050 0.050 8319704.50000 472025.50000 1 0
1137 {135.HB2} 1.212 0.050 0.050 {135.CB} 40.649 0.050 0.050 {135.HB1} 1.963 0.050 0.050 1179467.00000 60274.00000 1 0
1142 {135.HA} 3.961 0.050 0.050 {135.CA} 57.801 0.050 0.050 {135.HG} 1.844 0.050 0.050 3027556.00000 119674.50000 1 0
1145 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.353 0.050 0.050 {135.HD2#} 0.716 0.050 0.050 4003209.50000 219483.00000 1 0
1148 {129.HB1} 2.642 0.050 0.050 {129.CB} 40.911 0.050 0.050 {132.HB} 4.073 0.050 0.050 966224.50000 57555.00000 1 0
1151 {127.HG2#} 1.148 0.050 0.050 {127.CG2} 21.498 0.050 0.050 {128.HB2} 2.754 0.050 0.050 1202541.00000 152066.00000 1 0
1152 {127.HG2#} 1.146 0.050 0.050 {127.CG2} 21.498 0.050 0.050 {130.HB2} 2.790 0.050 0.050 1065010.00000 102733.50000 1 0
1153 {127.HG2#} 1.148 0.050 0.050 {127.CG2} 21.413 0.050 0.050 {130.HB1} 2.864 0.050 0.050 490305.50000 151170.00000 1 0
1155 {126.HA} 4.491 0.050 0.050 {126.CA} 58.067 0.050 0.050 {129.HB1} 2.632 0.050 0.050 1416363.00000 89370.50000 1 0
1156 {161.HB1} 3.800 0.050 0.050 {161.CB} 63.704 0.050 0.050 {160.HG2#} 1.178 0.050 0.050 -50074.00000 100744.50000 1 0
1157 {127.HG2#} 1.152 0.050 0.050 {127.CG2} 21.656 0.050 0.050 {128.HA} 4.602 0.050 0.050 1384205.50000 157677.00000 1 0
1158 {153.HG2#} 0.950 0.050 0.050 {153.CG2} 22.839 0.050 0.050 {148.HE#} 1.819 0.050 0.050 10594464.50000 618890.50000 1 0
1159 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.894 0.050 0.050 {148.HG1} 2.474 0.050 0.050 3080078.00000 179905.50000 1 0
1160 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.808 0.050 0.050 {148.HG2} 2.717 0.050 0.050 1993891.50000 122760.00000 1 0
1161 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.729 0.050 0.050 {152.HA} 4.034 0.050 0.050 2043622.50000 111725.00000 1 0
1162 {153.HG2#} 0.947 0.050 0.050 {153.CG2} 22.888 0.050 0.050 {151.HB} 4.383 0.050 0.050 2207462.00000 134994.00000 1 0
1163 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.171 0.050 0.050 {151.HB} 4.382 0.050 0.050 1922997.50000 135396.00000 1 0
1164 {153.HG1#} 0.861 0.050 0.050 {153.CG1} 21.384 0.050 0.050 {148.HG2} 2.724 0.050 0.050 1044188.50000 83358.00000 1 0
1165 {153.HG1#} 0.856 0.050 0.050 {153.CG1} 21.396 0.050 0.050 {148.HG1} 2.475 0.050 0.050 1504178.50000 101171.50000 1 0
1166 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.210 0.050 0.050 {148.HE#} 1.819 0.050 0.050 4898182.50000 271626.00000 1 0
1169 {152.HD2#} 0.719 0.050 0.050 {152.CD2} 25.552 0.050 0.050 {153.HA} 3.585 0.050 0.050 2250619.00000 128160.50000 1 0
1170 {152.HD2#} 0.722 0.050 0.050 {152.CD2} 25.665 0.050 0.050 {148.HA} 4.175 0.050 0.050 1498072.00000 113820.50000 1 0
1171 {152.HD2#} 0.720 0.050 0.050 {152.CD2} 25.679 0.050 0.050 {155.HA} 4.150 0.050 0.050 1433098.00000 122872.50000 1 0
1172 {152.HD1#} 0.701 0.050 0.050 {152.CD1} 23.129 0.050 0.050 {153.HB} 2.153 0.050 0.050 1780624.00000 100638.00000 1 0
1173 {152.HD1#} 0.697 0.050 0.050 {152.CD1} 23.130 0.050 0.050 {153.HA} 3.595 0.050 0.050 7366114.50000 426815.00000 1 0
1174 {151.HG2#} 1.193 0.050 0.050 {151.CG2} 21.906 0.050 0.050 {153.HA} 3.597 0.050 0.050 1677576.50000 101331.50000 1 0
1175 {150.HA} 4.152 0.050 0.050 {150.CA} 60.469 0.050 0.050 {148.HE#} 1.821 0.050 0.050 2569391.00000 125976.00000 1 0
1176 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.608 0.050 0.050 {149.HD1#} 0.737 0.050 0.050 13114922.50000 837663.50000 1 0
1177 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.596 0.050 0.050 {153.HG1#} 0.861 0.050 0.050 47123468.00000 3040121.00000 1 0
1178 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.579 0.050 0.050 {153.HG2#} 0.949 0.050 0.050 22695652.00000 1479579.50000 1 0
1179 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.590 0.050 0.050 {150.HB#} 3.218 0.050 0.050 6438751.50000 389053.50000 1 0
1180 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.665 0.050 0.050 {153.HA} 3.588 0.050 0.050 2198577.50000 158009.00000 1 0
1181 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.595 0.050 0.050 {151.HA} 3.825 0.050 0.050 5660294.00000 355195.00000 1 0
1182 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.565 0.050 0.050 {147.HA2} 3.939 0.050 0.050 3805265.00000 211184.50000 1 0
1183 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.610 0.050 0.050 {150.HA} 4.149 0.050 0.050 13321196.00000 870328.00000 1 0
1188 {146.HD#} 0.855 0.050 0.050 {146.CD2} 25.134 0.050 0.050 {144.HG1} 2.352 0.050 0.050 3260508.50000 198874.00000 1 0
1189 {146.HD#} 0.855 0.050 0.050 {146.CD2} 25.086 0.050 0.050 {141.HE1} 2.777 0.050 0.050 3013419.00000 169837.00000 1 0
1190 {146.HD#} 0.857 0.050 0.050 {146.CD2} 25.108 0.050 0.050 {145.HA} 3.408 0.050 0.050 3987862.00000 212939.50000 1 0
1191 {145.HD1#} 0.819 0.050 0.050 {145.CD1} 15.321 0.050 0.050 {146.HG} 1.514 0.050 0.050 2916483.50000 147835.00000 1 0
1192 {144.HG1} 2.370 0.050 0.050 {144.CG} 36.193 0.050 0.050 {146.HD#} 0.854 0.050 0.050 2918012.00000 163990.00000 1 0
1193 {144.HG2} 2.117 0.050 0.050 {144.CG} 36.176 0.050 0.050 {146.HD#} 0.852 0.050 0.050 4398733.00000 241630.50000 1 0
1194 {144.HB2} 2.190 0.050 0.050 {144.CB} 29.630 0.050 0.050 {146.HD#} 0.863 0.050 0.050 4783818.50000 244311.50000 1 0
1196 {142.HD2#} 0.947 0.050 0.050 {142.CD2} 28.918 0.050 0.050 {148.HE#} 1.805 0.050 0.050 2592889.50000 137728.50000 1 0
1197 {142.HD2#} 0.948 0.050 0.050 {142.CD2} 28.934 0.050 0.050 {141.HB1} 2.083 0.050 0.050 2684414.50000 144175.00000 1 0
1198 {141.HE2} 2.838 0.050 0.050 {141.CE} 41.886 0.050 0.050 {146.HD1#} 0.856 0.050 0.050 3369648.00000 187797.50000 1 0
1199 {141.HE1} 2.774 0.050 0.050 {141.CE} 41.874 0.050 0.050 {146.HD#} 0.850 0.050 0.050 2877791.00000 168741.50000 1 0
1200 {141.HD2} 1.533 0.050 0.050 {141.CD} 29.381 0.050 0.050 {146.HD#} 0.845 0.050 0.050 2454990.50000 129630.50000 1 0
1201 {141.HD1} 1.495 0.050 0.050 {141.CD} 29.376 0.050 0.050 {146.HD#} 0.848 0.050 0.050 2305031.50000 119426.00000 1 0
1202 {138.HD1#} 0.806 0.050 0.050 {138.CD1} 14.649 0.050 0.050 {135.HG} 1.819 0.050 0.050 5644996.50000 256737.00000 1 0
1203 {138.HD1#} 0.803 0.050 0.050 {138.CD1} 14.766 0.050 0.050 {135.HG} 1.844 0.050 0.050 4711429.50000 223812.00000 1 0
1207 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.343 0.050 0.050 {131.HG2#} 0.780 0.050 0.050 8233827.50000 494257.00000 1 0
1210 {132.HG2#} 1.104 0.050 0.050 {132.CG2} 22.241 0.050 0.050 {136.HB2} 2.810 0.050 0.050 1984719.00000 127704.00000 1 0
1211 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.303 0.050 0.050 {134.HD#} 3.089 0.050 0.050 3260582.50000 178701.50000 1 0
1212 {131.HG11} 1.573 0.050 0.050 {131.CG1} 29.098 0.050 0.050 {132.HG2#} 1.106 0.050 0.050 1721936.50000 99064.50000 1 0
1213 {131.HD1#} 0.798 0.050 0.050 {131.CD1} 13.106 0.050 0.050 {128.HB2} 2.749 0.050 0.050 2440298.00000 142760.50000 1 0
1214 {126.HA} 4.493 0.050 0.050 {126.CA} 58.068 0.050 0.050 {125.HA#} 3.797 0.050 0.050 10331297.50000 571654.50000 1 0
1215 {134.HD#} 3.086 0.050 0.050 {134.CD} 41.911 0.050 0.050 {135.HB1} 1.955 0.050 0.050 1343199.50000 68540.50000 1 0
1216 {138.HG2#} 0.812 0.050 0.050 {138.CG2} 16.220 0.050 0.050 {139.HB1} 2.696 0.050 0.050 994009.50000 60146.00000 1 0
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H-aliphatic . folded 4438.9 Hz . . . 4.77 . . 34513 2
2 . . C 13 C-aliphatic . folded 15290.5 Hz . . . 41.2 . . 34513 2
3 . . H 1 H . folded 9505.7 Hz . . . 4.77 . . 34513 2
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 34513
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 3
_Spectral_peak_list.Sample_label $sample_3
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 18
_Spectral_peak_list.Experiment_name '1H-13C NOESY-HSQC with 13C/15N filter in F1'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
HN N H
None
{1997.51 } {1501.50 } {9505.70 }
{949.9045 } { 96.2640 } {949.9045 }
HN.L HN.P HN.W HN.B N.L N.P N.W N.B H.L H.P H.W H.B vol int stat flag0
1 {128.HD22} 7.555 0.050 0.050 {128.ND2} 112.647 0.050 0.050 {128.HB2} 2.754 0.050 0.050 3351378.06250 129096.31250 1 0
2 {149.HN} 8.488 0.050 0.050 {149.N} 119.528 0.050 0.050 {149.HA} 3.946 0.050 0.050 1883929.81250 86025.50000 1 0
3 {149.HN} 8.489 0.050 0.050 {149.N} 119.562 0.050 0.050 {148.HB2} 2.206 0.050 0.050 1183978.93750 53843.12500 1 0
4 {149.HN} 8.488 0.050 0.050 {149.N} 119.535 0.050 0.050 {149.HB1} 1.863 0.050 0.050 3134127.37500 144537.75000 1 0
5 {149.HN} 8.492 0.050 0.050 {149.N} 119.533 0.050 0.050 {149.HB2} 1.484 0.050 0.050 1688304.75000 76587.56250 1 0
6 {149.HN} 8.488 0.050 0.050 {149.N} 119.528 0.050 0.050 {149.HD2#} 0.856 0.050 0.050 2278557.75000 103463.25000 1 0
7 {149.HN} 8.491 0.050 0.050 {149.N} 119.557 0.050 0.050 {149.HD1#} 0.725 0.050 0.050 2386745.81250 109153.81250 1 0
8 {149.HN} 8.492 0.050 0.050 {149.N} 119.558 0.050 0.050 {148.HN} 7.745 0.050 0.050 2111823.50000 94420.00000 1 0
9 {131.HN} 8.167 0.050 0.050 {131.N} 120.654 0.050 0.050 {131.HA} 3.613 0.050 0.050 1411007.43750 64667.06250 1 0
10 {131.HN} 8.165 0.050 0.050 {131.N} 120.677 0.050 0.050 {131.HB} 1.890 0.050 0.050 2262858.43750 98425.00000 1 0
11 {131.HN} 8.166 0.050 0.050 {131.N} 120.666 0.050 0.050 {131.HG2#} 0.780 0.050 0.050 2756253.50000 128836.06250 1 0
12 {134.HN} 7.467 0.050 0.050 {134.N} 116.655 0.050 0.050 {135.HB1} 1.929 0.050 0.050 1425505.56250 65611.68750 1 0
13 {134.HN} 7.470 0.050 0.050 {134.N} 116.620 0.050 0.050 {133.HB#} 1.408 0.050 0.050 1766262.87500 81068.81250 1 0
14 {134.HN} 7.469 0.050 0.050 {134.N} 116.675 0.050 0.050 {135.HN} 8.206 0.050 0.050 1403126.06250 63448.12500 1 0
15 {134.HN} 7.465 0.050 0.050 {134.N} 116.615 0.050 0.050 {133.HN} 7.829 0.050 0.050 1267551.87500 56413.87500 1 0
16 {146.HN} 8.422 0.050 0.050 {146.N} 120.291 0.050 0.050 {142.HA} 3.969 0.050 0.050 1164349.62500 59250.18750 1 0
17 {146.HN} 8.422 0.050 0.050 {146.N} 120.274 0.050 0.050 {146.HA} 3.826 0.050 0.050 1874508.62500 90939.00000 1 0
18 {146.HN} 8.419 0.050 0.050 {146.N} 120.239 0.050 0.050 {145.HB} 2.003 0.050 0.050 1432262.68750 66187.68750 1 0
19 {146.HN} 8.423 0.050 0.050 {146.N} 120.250 0.050 0.050 {146.HB1} 1.849 0.050 0.050 2716831.43750 124757.87500 1 0
20 {146.HN} 8.423 0.050 0.050 {146.N} 120.229 0.050 0.050 {146.HB2} 1.561 0.050 0.050 3244883.62500 124251.18750 1 0
21 {146.HN} 8.422 0.050 0.050 {146.N} 120.250 0.050 0.050 {146.HD#} 0.834 0.050 0.050 3381017.37500 156177.68750 1 0
22 {144.HN} 7.859 0.050 0.050 {144.N} 124.806 0.050 0.050 {144.HA} 4.038 0.050 0.050 4857536.25000 212229.68750 1 0
23 {144.HN} 7.860 0.050 0.050 {144.N} 124.812 0.050 0.050 {144.HG1} 2.373 0.050 0.050 1582396.06250 70921.31250 1 0
24 {144.HN} 7.860 0.050 0.050 {144.N} 124.795 0.050 0.050 {144.HB2} 2.173 0.050 0.050 8460482.00000 388066.18750 1 0
25 {144.HN} 7.861 0.050 0.050 {144.N} 124.801 0.050 0.050 {145.HN} 8.440 0.050 0.050 3035917.18750 144511.06250 1 0
26 {147.HN} 7.999 0.050 0.050 {147.N} 105.666 0.050 0.050 {147.HA2} 3.935 0.050 0.050 4525245.18750 174406.62500 1 0
27 {147.HN} 7.993 0.050 0.050 {147.N} 105.649 0.050 0.050 {146.HB1} 1.832 0.050 0.050 1238057.25000 58637.18750 1 0
28 {147.HN} 8.001 0.050 0.050 {147.N} 105.699 0.050 0.050 {146.HB2} 1.528 0.050 0.050 1401127.18750 63725.06250 1 0
29 {147.HN} 7.997 0.050 0.050 {147.N} 105.666 0.050 0.050 {146.HN} 8.397 0.050 0.050 2268788.81250 88170.25000 1 0
30 {155.HN} 7.729 0.050 0.050 {155.N} 122.138 0.050 0.050 {155.HA} 4.164 0.050 0.050 4546746.68750 206049.56250 1 0
31 {155.HN} 7.730 0.050 0.050 {155.N} 122.197 0.050 0.050 {154.HA} 3.713 0.050 0.050 1807455.62500 73577.93750 1 0
32 {155.HN} 7.729 0.050 0.050 {155.N} 122.167 0.050 0.050 {154.HB} 1.973 0.050 0.050 3094850.25000 146282.06250 1 0
33 {155.HN} 7.728 0.050 0.050 {155.N} 122.123 0.050 0.050 {155.HB#} 1.403 0.050 0.050 10959928.81250 514861.93750 1 0
34 {155.HN} 7.728 0.050 0.050 {155.N} 122.159 0.050 0.050 {154.HG1#} 0.818 0.050 0.050 3790346.50000 169507.62500 1 0
35 {153.HN} 8.507 0.050 0.050 {153.N} 120.613 0.050 0.050 {153.HA} 3.590 0.050 0.050 1691933.93750 72889.06250 1 0
36 {153.HN} 8.507 0.050 0.050 {153.N} 120.627 0.050 0.050 {153.HB} 2.141 0.050 0.050 3680346.12500 167299.75000 1 0
37 {139.HN} 8.499 0.050 0.050 {139.N} 120.494 0.050 0.050 {138.HD1#} 0.783 0.050 0.050 3839437.81250 170935.87500 1 0
38 {153.HN} 8.503 0.050 0.050 {153.N} 120.589 0.050 0.050 {149.HD1#} 0.750 0.050 0.050 3426871.62500 149828.56250 1 0
39 {163.HN} 7.825 0.050 0.050 {163.N} 125.450 0.050 0.050 {162.HA} 4.277 0.050 0.050 5184759.62500 274661.87500 1 0
40 {163.HN} 7.825 0.050 0.050 {163.N} 125.549 0.050 0.050 {163.HA} 4.114 0.050 0.050 2091433.68750 122479.87500 1 0
41 {163.HN} 7.827 0.050 0.050 {163.N} 125.624 0.050 0.050 {163.HD#} 3.181 0.050 0.050 355285.81250 34668.81250 1 0
42 {128.HD21} 6.866 0.050 0.050 {128.ND2} 112.639 0.050 0.050 {128.HB1} 2.697 0.050 0.050 1868825.81250 80122.18750 1 0
43 {128.HD21} 6.866 0.050 0.050 {128.ND2} 112.594 0.050 0.050 {128.HD22} 7.552 0.050 0.050 15833939.56250 754502.62500 1 0
44 {156.HN} 7.723 0.050 0.050 {156.N} 112.823 0.050 0.050 {155.HA} 4.161 0.050 0.050 1816808.43750 88317.75000 1 0
45 {156.HN} 7.722 0.050 0.050 {156.N} 112.771 0.050 0.050 {156.HB#} 3.807 0.050 0.050 6011947.81250 278621.50000 1 0
46 {156.HN} 7.721 0.050 0.050 {156.N} 112.765 0.050 0.050 {155.HB#} 1.399 0.050 0.050 4866354.68750 222180.31250 1 0
47 {133.HN} 7.815 0.050 0.050 {133.N} 122.205 0.050 0.050 {133.HA} 4.114 0.050 0.050 3292987.18750 147171.93750 1 0
48 {133.HN} 7.814 0.050 0.050 {133.N} 122.225 0.050 0.050 {133.HB#} 1.401 0.050 0.050 7398035.37500 327505.00000 1 0
49 {133.HN} 7.817 0.050 0.050 {133.N} 122.223 0.050 0.050 {134.HN} 7.474 0.050 0.050 1680536.37500 72705.37500 1 0
50 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {151.HB} 4.387 0.050 0.050 1422640.00000 65333.00000 1 0
51 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {152.HA} 4.023 0.050 0.050 2264484.68750 97275.18750 1 0
52 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {152.HB1} 1.837 0.050 0.050 2245435.56250 99519.12500 1 0
53 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {152.HG} 1.688 0.050 0.050 2860772.50000 120760.93750 1 0
54 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {152.HB2} 1.484 0.050 0.050 1920402.18750 85739.81250 1 0
55 {152.HN} 7.691 0.050 0.050 {152.N} 121.342 0.050 0.050 {152.HD2#} 0.714 0.050 0.050 3591609.43750 164229.50000 1 0
56 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {149.HN} 8.492 0.050 0.050 2287299.56250 104993.87500 1 0
57 {150.HN} 8.443 0.050 0.050 {150.N} 118.233 0.050 0.050 {150.HA} 4.141 0.050 0.050 2649386.12500 129039.06250 1 0
59 {150.HN} 8.445 0.050 0.050 {150.N} 118.290 0.050 0.050 {146.HB1} 1.832 0.050 0.050 1930198.37500 89839.68750 1 0
60 {150.HN} 8.447 0.050 0.050 {150.N} 118.284 0.050 0.050 {149.HB2} 1.482 0.050 0.050 1093329.12500 51932.25000 1 0
62 {150.HN} 8.449 0.050 0.050 {150.N} 118.302 0.050 0.050 {151.HN} 7.577 0.050 0.050 2074394.75000 96529.87500 1 0
63 {138.HN} 7.773 0.050 0.050 {138.N} 121.685 0.050 0.050 {138.HB} 1.963 0.050 0.050 3286130.75000 142338.62500 1 0
64 {138.HN} 7.772 0.050 0.050 {138.N} 121.686 0.050 0.050 {138.HG1#} 0.934 0.050 0.050 1453352.06250 66352.43750 1 0
65 {138.HN} 7.772 0.050 0.050 {138.N} 121.678 0.050 0.050 {138.HD1#} 0.801 0.050 0.050 3099161.31250 138666.12500 1 0
66 {158.HN} 7.920 0.050 0.050 {158.N} 107.373 0.050 0.050 {156.HA} 4.265 0.050 0.050 3458689.37500 125439.25000 1 0
67 {158.HN} 7.920 0.050 0.050 {158.N} 107.373 0.050 0.050 {158.HA1} 4.032 0.050 0.050 11315580.81250 512384.68750 1 0
68 {158.HN} 7.920 0.050 0.050 {158.N} 107.349 0.050 0.050 {159.HD2} 3.605 0.050 0.050 1224059.50000 56507.43750 1 0
69 {158.HN} 7.920 0.050 0.050 {158.N} 107.343 0.050 0.050 {157.HB#} 1.376 0.050 0.050 3406508.68750 165402.50000 1 0
70 {160.HN} 8.241 0.050 0.050 {160.N} 113.791 0.050 0.050 {159.HA} 4.471 0.050 0.050 1481402.62500 70702.75000 1 0
71 {137.HN} 7.564 0.050 0.050 {137.N} 120.104 0.050 0.050 {137.HA} 4.134 0.050 0.050 2587071.12500 116238.18750 1 0
72 {137.HN} 7.561 0.050 0.050 {137.N} 120.085 0.050 0.050 {136.HB2} 2.817 0.050 0.050 1353594.62500 61776.50000 1 0
73 {137.HN} 7.566 0.050 0.050 {137.N} 120.124 0.050 0.050 {136.HB1} 2.642 0.050 0.050 1156158.75000 54320.81250 1 0
74 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {137.HB1} 1.904 0.050 0.050 4163407.31250 151128.31250 1 0
75 {137.HN} 7.561 0.050 0.050 {137.N} 120.075 0.050 0.050 {137.HG#} 1.770 0.050 0.050 2326292.06250 102779.68750 1 0
76 {148.HN} 7.745 0.050 0.050 {148.N} 120.969 0.050 0.050 {148.HA} 4.171 0.050 0.050 2226070.25000 100284.18750 1 0
77 {148.HN} 7.743 0.050 0.050 {148.N} 120.953 0.050 0.050 {144.HA} 4.040 0.050 0.050 1365301.43750 42505.18750 1 0
78 {148.HN} 7.749 0.050 0.050 {148.N} 120.953 0.050 0.050 {147.HA2} 3.935 0.050 0.050 1473879.12500 59301.62500 1 0
79 {148.HN} 7.750 0.050 0.050 {148.N} 120.917 0.050 0.050 {148.HG1} 2.469 0.050 0.050 1438383.93750 65964.81250 1 0
80 {148.HN} 7.747 0.050 0.050 {148.N} 120.962 0.050 0.050 {148.HG2} 2.712 0.050 0.050 1933365.81250 88597.56250 1 0
81 {148.HN} 7.749 0.050 0.050 {148.N} 120.953 0.050 0.050 {148.HB2} 2.190 0.050 0.050 2017009.00000 84570.43750 1 0
82 {148.HN} 7.747 0.050 0.050 {148.N} 120.951 0.050 0.050 {148.HE#} 1.785 0.050 0.050 2163739.87500 92760.87500 1 0
83 {148.HN} 7.751 0.050 0.050 {148.N} 120.989 0.050 0.050 {149.HN} 8.478 0.050 0.050 2488699.12500 112713.87500 1 0
84 {143.HN} 8.087 0.050 0.050 {143.N} 115.415 0.050 0.050 {144.HB2} 2.177 0.050 0.050 2161680.68750 100237.12500 1 0
85 {143.HN} 8.093 0.050 0.050 {143.N} 115.436 0.050 0.050 {142.HN} 8.626 0.050 0.050 1685607.56250 75418.68750 1 0
86 {136.HN} 8.614 0.050 0.050 {136.N} 120.883 0.050 0.050 {136.HA} 4.212 0.050 0.050 1495772.18750 61132.25000 1 0
87 {136.HN} 8.611 0.050 0.050 {136.N} 120.891 0.050 0.050 {136.HB2} 2.816 0.050 0.050 2252745.31250 104917.31250 1 0
88 {136.HN} 8.612 0.050 0.050 {136.N} 120.900 0.050 0.050 {136.HB1} 2.649 0.050 0.050 1628087.62500 75013.81250 1 0
89 {136.HN} 8.611 0.050 0.050 {136.N} 120.887 0.050 0.050 {135.HN} 8.222 0.050 0.050 1628697.75000 76013.56250 1 0
90 {136.HN} 8.614 0.050 0.050 {136.N} 120.884 0.050 0.050 {137.HN} 7.564 0.050 0.050 1547658.87500 67434.68750 1 0
91 {132.HN} 8.238 0.050 0.050 {132.N} 115.760 0.050 0.050 {132.HB} 4.080 0.050 0.050 1852083.81250 86678.25000 1 0
92 {132.HN} 8.235 0.050 0.050 {132.N} 115.765 0.050 0.050 {132.HA} 3.547 0.050 0.050 1672543.50000 77069.43750 1 0
93 {132.HN} 8.238 0.050 0.050 {132.N} 115.744 0.050 0.050 {131.HB} 1.891 0.050 0.050 2021243.12500 94195.56250 1 0
94 {132.HN} 8.236 0.050 0.050 {132.N} 115.770 0.050 0.050 {132.HG2#} 1.109 0.050 0.050 1795040.68750 80463.50000 1 0
95 {132.HN} 8.236 0.050 0.050 {132.N} 115.746 0.050 0.050 {133.HN} 7.823 0.050 0.050 1593995.68750 74558.50000 1 0
96 {140.HN} 7.933 0.050 0.050 {140.N} 119.444 0.050 0.050 {139.HA} 4.214 0.050 0.050 1652692.00000 55132.25000 1 0
97 {140.HN} 7.932 0.050 0.050 {140.N} 119.476 0.050 0.050 {140.HA} 4.041 0.050 0.050 2627524.62500 119760.93750 1 0
98 {140.HN} 7.933 0.050 0.050 {140.N} 119.481 0.050 0.050 {139.HB1} 2.656 0.050 0.050 2141743.56250 85500.93750 1 0
99 {140.HN} 7.932 0.050 0.050 {140.N} 119.489 0.050 0.050 {140.HG2} 2.424 0.050 0.050 2122563.62500 98427.50000 1 0
100 {140.HN} 7.932 0.050 0.050 {140.N} 119.449 0.050 0.050 {140.HB2} 2.217 0.050 0.050 4493178.87500 202219.31250 1 0
101 {140.HN} 7.933 0.050 0.050 {140.N} 119.452 0.050 0.050 {139.HN} 8.496 0.050 0.050 1348549.75000 61872.68750 1 0
102 {142.HN} 8.626 0.050 0.050 {142.N} 118.966 0.050 0.050 {142.HD2#} 0.896 0.050 0.050 1771543.62500 81387.18750 1 0
103 {142.HN} 8.627 0.050 0.050 {142.N} 118.968 0.050 0.050 {142.HD1#} 0.710 0.050 0.050 1738238.75000 77031.25000 1 0
105 {151.HN} 7.569 0.050 0.050 {151.N} 114.504 0.050 0.050 {151.HB} 4.376 0.050 0.050 3105696.18750 142041.81250 1 0
106 {151.HN} 7.570 0.050 0.050 {151.N} 114.508 0.050 0.050 {148.HA} 4.184 0.050 0.050 1808854.62500 81251.56250 1 0
107 {151.HN} 7.570 0.050 0.050 {151.N} 114.488 0.050 0.050 {151.HA} 3.824 0.050 0.050 3052154.62500 134281.43750 1 0
108 {151.HN} 7.568 0.050 0.050 {151.N} 114.471 0.050 0.050 {150.HB#} 3.222 0.050 0.050 3392486.75000 158155.93750 1 0
109 {151.HN} 7.571 0.050 0.050 {151.N} 114.478 0.050 0.050 {151.HG2#} 1.186 0.050 0.050 2238835.56250 102843.81250 1 0
110 {151.HN} 7.568 0.050 0.050 {151.N} 114.427 0.050 0.050 {150.HN} 8.426 0.050 0.050 3562730.37500 124578.31250 1 0
111 {145.HN} 8.456 0.050 0.050 {145.N} 121.387 0.050 0.050 {145.HA} 3.407 0.050 0.050 1257616.31250 58061.31250 1 0
112 {145.HN} 8.457 0.050 0.050 {145.N} 121.437 0.050 0.050 {145.HB} 1.996 0.050 0.050 2818417.68750 128406.43750 1 0
113 {145.HN} 8.454 0.050 0.050 {145.N} 121.452 0.050 0.050 {145.HD1#} 0.817 0.050 0.050 3067312.37500 143420.25000 1 0
114 {145.HN} 8.455 0.050 0.050 {145.N} 121.409 0.050 0.050 {144.HN} 7.858 0.050 0.050 1370042.31250 60652.87500 1 0
115 {141.HN} 8.081 0.050 0.050 {141.N} 120.808 0.050 0.050 {141.HA} 4.159 0.050 0.050 2175735.00000 99818.50000 1 0
116 {141.HN} 8.084 0.050 0.050 {141.N} 120.772 0.050 0.050 {140.HA} 4.018 0.050 0.050 1098247.31250 57255.25000 1 0
117 {141.HN} 8.081 0.050 0.050 {141.N} 120.807 0.050 0.050 {141.HB1} 2.111 0.050 0.050 2677805.68750 111168.18750 1 0
118 {141.HN} 8.079 0.050 0.050 {141.N} 120.791 0.050 0.050 {141.HD2} 1.534 0.050 0.050 1731328.68750 77373.81250 1 0
119 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {142.HN} 8.629 0.050 0.050 1642273.25000 67059.93750 1 0
120 {154.HN} 7.950 0.050 0.050 {154.N} 120.519 0.050 0.050 {153.HB} 2.114 0.050 0.050 2751100.06250 124697.06250 1 0
121 {154.HN} 7.951 0.050 0.050 {154.N} 120.517 0.050 0.050 {154.HB} 1.975 0.050 0.050 6482283.43750 302635.87500 1 0
122 {154.HN} 7.950 0.050 0.050 {154.N} 120.513 0.050 0.050 {154.HG2#} 0.813 0.050 0.050 11751213.50000 541966.50000 1 0
123 {154.HN} 7.951 0.050 0.050 {154.N} 120.515 0.050 0.050 {153.HN} 8.502 0.050 0.050 2670472.06250 121348.56250 1 0
124 {135.HN} 8.227 0.050 0.050 {135.N} 119.938 0.050 0.050 {135.HB2} 1.189 0.050 0.050 891709.00000 38997.56250 1 0
125 {135.HN} 8.219 0.050 0.050 {135.N} 119.905 0.050 0.050 {135.HD2#} 0.756 0.050 0.050 1543336.00000 69800.43750 1 0
126 {157.HN} 7.742 0.050 0.050 {157.N} 124.451 0.050 0.050 {157.HB#} 1.378 0.050 0.050 12135274.62500 556372.93750 1 0
128 {162.HN} 8.206 0.050 0.050 {162.N} 126.378 0.050 0.050 {161.HA} 4.337 0.050 0.050 723132.56250 34952.81250 1 0
129 {160.HN} 8.246 0.050 0.050 {160.N} 113.788 0.050 0.050 {159.HG#} 1.946 0.050 0.050 515904.81250 24349.31250 1 0
130 {162.HN} 8.210 0.050 0.050 {162.N} 126.415 0.050 0.050 {162.HB#} 1.305 0.050 0.050 690483.12500 32357.12500 1 0
131 {163.HN} 7.825 0.050 0.050 {163.N} 125.387 0.050 0.050 {163.HB1} 1.626 0.050 0.050 1012952.31250 47411.93750 1 0
132 {160.HN} 8.247 0.050 0.050 {160.N} 113.848 0.050 0.050 {160.HA} 4.269 0.050 0.050 616496.37500 28701.00000 1 0
135 {157.HN} 7.734 0.050 0.050 {157.N} 124.385 0.050 0.050 {153.HA} 3.599 0.050 0.050 645254.87500 34120.93750 1 0
136 {157.HN} 7.742 0.050 0.050 {157.N} 124.438 0.050 0.050 {157.HA} 4.309 0.050 0.050 6634880.68750 311445.12500 1 0
137 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {148.HN} 7.749 0.050 0.050 815675.31250 35718.81250 1 0
138 {148.HN} 7.747 0.050 0.050 {148.N} 120.953 0.050 0.050 {147.HN} 7.999 0.050 0.050 1898568.50000 81567.50000 1 0
139 {146.HN} 8.422 0.050 0.050 {146.N} 120.229 0.050 0.050 {147.HN} 7.999 0.050 0.050 1168761.50000 49298.12500 1 0
140 {152.HN} 7.691 0.050 0.050 {152.N} 121.337 0.050 0.050 {153.HG2#} 0.925 0.050 0.050 1041708.68750 46793.31250 1 0
141 {152.HN} 7.698 0.050 0.050 {152.N} 121.233 0.050 0.050 {148.HA} 4.181 0.050 0.050 879394.81250 42632.50000 1 0
142 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {151.HA} 3.817 0.050 0.050 1115679.75000 34815.56250 1 0
143 {149.HN} 8.492 0.050 0.050 {149.N} 119.557 0.050 0.050 {148.HA} 4.175 0.050 0.050 671212.37500 27844.43750 1 0
144 {153.HN} 8.513 0.050 0.050 {153.N} 120.668 0.050 0.050 {149.HB2} 1.474 0.050 0.050 1052066.43750 46605.31250 1 0
145 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {153.HB} 2.134 0.050 0.050 585092.50000 21393.37500 1 0
146 {145.HN} 8.456 0.050 0.050 {145.N} 121.432 0.050 0.050 {142.HA} 3.961 0.050 0.050 920791.62500 35105.75000 1 0
147 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {144.HN} 7.860 0.050 0.050 2613082.06250 113979.31250 1 0
149 {138.HN} 7.780 0.050 0.050 {138.N} 121.747 0.050 0.050 {139.HN} 8.499 0.050 0.050 835255.43750 36492.50000 1 0
150 {137.HN} 7.565 0.050 0.050 {137.N} 120.108 0.050 0.050 {138.HN} 7.778 0.050 0.050 1763238.25000 80366.31250 1 0
151 {136.HN} 8.611 0.050 0.050 {136.N} 120.871 0.050 0.050 {133.HN} 7.799 0.050 0.050 737792.18750 36102.50000 1 0
152 {135.HN} 8.222 0.050 0.050 {135.N} 119.993 0.050 0.050 {136.HN} 8.604 0.050 0.050 1051570.62500 47378.25000 1 0
153 {135.HN} 8.217 0.050 0.050 {135.N} 119.957 0.050 0.050 {134.HN} 7.473 0.050 0.050 977589.31250 44001.62500 1 0
155 {129.HN} 8.210 0.050 0.050 {129.N} 120.789 0.050 0.050 {129.HB#} 2.619 0.050 0.050 1054695.25000 47359.87500 1 0
156 {129.HN} 8.206 0.050 0.050 {129.N} 120.758 0.050 0.050 {128.HB2} 2.753 0.050 0.050 476200.00000 21682.81250 1 0
157 {130.HN} 8.186 0.050 0.050 {130.N} 119.049 0.050 0.050 {129.HB1} 2.635 0.050 0.050 597314.12500 24837.50000 1 0
158 {130.HN} 8.181 0.050 0.050 {130.N} 119.115 0.050 0.050 {130.HB2} 2.785 0.050 0.050 631588.75000 27296.62500 1 0
159 {131.HN} 8.167 0.050 0.050 {131.N} 120.717 0.050 0.050 {130.HB2} 2.785 0.050 0.050 716912.81250 26687.62500 1 0
160 {133.HN} 7.812 0.050 0.050 {133.N} 122.191 0.050 0.050 {132.HA} 3.553 0.050 0.050 746021.68750 33933.06250 1 0
161 {147.HN} 7.991 0.050 0.050 {147.N} 105.666 0.050 0.050 {143.HA} 4.166 0.050 0.050 885666.56250 39137.56250 1 0
162 {149.HN} 8.492 0.050 0.050 {149.N} 119.557 0.050 0.050 {146.HA} 3.815 0.050 0.050 1225200.31250 47358.18750 1 0
163 {138.HN} 7.772 0.050 0.050 {138.N} 121.635 0.050 0.050 {137.HA} 4.151 0.050 0.050 786522.12500 34495.68750 1 0
166 {139.HN} 8.498 0.050 0.050 {139.N} 120.474 0.050 0.050 {139.HB1} 2.701 0.050 0.050 3478628.00000 157679.56250 1 0
167 {136.HN} 8.614 0.050 0.050 {136.N} 120.883 0.050 0.050 {135.HA} 3.956 0.050 0.050 597115.62500 27441.56250 1 0
168 {135.HN} 8.221 0.050 0.050 {135.N} 119.935 0.050 0.050 {135.HA} 3.968 0.050 0.050 1074295.25000 50339.81250 1 0
169 {134.HN} 7.468 0.050 0.050 {134.N} 116.641 0.050 0.050 {134.HA} 3.936 0.050 0.050 873305.37500 39836.87500 1 0
171 {150.HN} 8.444 0.050 0.050 {150.N} 118.220 0.050 0.050 {147.HN} 7.979 0.050 0.050 439656.12500 21694.00000 1 0
172 {148.HN} 7.744 0.050 0.050 {148.N} 120.899 0.050 0.050 {145.HA} 3.418 0.050 0.050 846209.62500 40729.62500 1 0
173 {147.HN} 7.994 0.050 0.050 {147.N} 105.666 0.050 0.050 {146.HD#} 0.850 0.050 0.050 995671.62500 44247.50000 1 0
174 {148.HN} 7.748 0.050 0.050 {148.N} 120.963 0.050 0.050 {149.HB2} 1.483 0.050 0.050 664839.06250 30631.37500 1 0
175 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {149.HD1#} 0.733 0.050 0.050 789005.87500 37361.93750 1 0
176 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {143.HB1} 3.927 0.050 0.050 2404889.43750 107995.37500 1 0
178 {135.HN} 8.218 0.050 0.050 {135.N} 119.915 0.050 0.050 {135.HD1#} 0.619 0.050 0.050 1264823.93750 56162.75000 1 0
180 {134.HN} 7.467 0.050 0.050 {134.N} 116.706 0.050 0.050 {135.HG} 1.784 0.050 0.050 1457447.93750 64965.62500 1 0
181 {134.HN} 7.464 0.050 0.050 {134.N} 116.680 0.050 0.050 {134.HD#} 3.081 0.050 0.050 480722.31250 21356.00000 1 0
183 {146.HN} 8.420 0.050 0.050 {146.N} 120.144 0.050 0.050 {145.HA} 3.396 0.050 0.050 795629.75000 36005.68750 1 0
184 {138.HN} 7.775 0.050 0.050 {138.N} 121.699 0.050 0.050 {138.HA} 3.485 0.050 0.050 1004072.50000 44757.25000 1 0
185 {143.HN} 8.084 0.050 0.050 {143.N} 115.432 0.050 0.050 {142.HD2#} 0.937 0.050 0.050 1072540.31250 45576.87500 1 0
186 {130.HD21} 6.896 0.050 0.050 {130.ND2} 112.557 0.050 0.050 {130.HD22} 7.565 0.050 0.050 8391214.18750 388118.75000 1 0
187 {145.HN} 8.457 0.050 0.050 {145.N} 121.438 0.050 0.050 {144.HB2} 2.161 0.050 0.050 2243676.18750 100869.18750 1 0
188 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {142.HD1#} 0.676 0.050 0.050 808987.25000 23885.00000 1 0
190 {143.HN} 8.091 0.050 0.050 {143.N} 115.423 0.050 0.050 {143.HA} 4.159 0.050 0.050 2449043.56250 113871.81250 1 0
191 {136.HN} 8.614 0.050 0.050 {136.N} 120.883 0.050 0.050 {135.HB1} 1.963 0.050 0.050 1408524.56250 59386.68750 1 0
192 {132.HN} 8.237 0.050 0.050 {132.N} 115.770 0.050 0.050 {131.HG2#} 0.768 0.050 0.050 2635284.93750 117520.31250 1 0
193 {140.HN} 7.930 0.050 0.050 {140.N} 119.433 0.050 0.050 {140.HB1} 2.090 0.050 0.050 2435039.93750 112207.25000 1 0
194 {142.HN} 8.624 0.050 0.050 {142.N} 118.958 0.050 0.050 {141.HA} 4.159 0.050 0.050 1554529.62500 71307.56250 1 0
195 {142.HN} 8.625 0.050 0.050 {142.N} 118.947 0.050 0.050 {142.HG} 1.959 0.050 0.050 2578566.12500 113212.25000 1 0
196 {141.HN} 8.079 0.050 0.050 {141.N} 120.855 0.050 0.050 {141.HG2} 1.739 0.050 0.050 1594330.56250 72527.37500 1 0
197 {143.HN} 8.091 0.050 0.050 {143.N} 115.448 0.050 0.050 {143.HB2} 4.021 0.050 0.050 4317122.25000 188523.81250 1 0
198 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {153.HG1#} 0.855 0.050 0.050 794360.81250 33780.93750 1 0
199 {156.HN} 7.723 0.050 0.050 {156.N} 112.817 0.050 0.050 {153.HG1#} 0.838 0.050 0.050 975542.12500 48378.50000 1 0
200 {156.HN} 7.721 0.050 0.050 {156.N} 112.818 0.050 0.050 {152.HD1#} 0.705 0.050 0.050 774193.37500 38707.75000 1 0
201 {154.HN} 7.947 0.050 0.050 {154.N} 120.510 0.050 0.050 {155.HB#} 1.400 0.050 0.050 985671.12500 44028.12500 1 0
202 {139.HN} 8.499 0.050 0.050 {139.N} 120.490 0.050 0.050 {135.HB2} 1.198 0.050 0.050 540971.37500 18721.06250 1 0
203 {153.HN} 8.507 0.050 0.050 {153.N} 120.616 0.050 0.050 {153.HG2#} 0.942 0.050 0.050 5184318.12500 201618.87500 1 0
204 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {151.HG2#} 1.188 0.050 0.050 981698.31250 39163.18750 1 0
205 {151.HN} 7.570 0.050 0.050 {151.N} 114.381 0.050 0.050 {154.HN} 7.955 0.050 0.050 487050.87500 23984.00000 1 0
206 {151.HN} 7.570 0.050 0.050 {151.N} 114.509 0.050 0.050 {152.HB1} 1.799 0.050 0.050 893859.81250 38566.75000 1 0
207 {151.HN} 7.568 0.050 0.050 {151.N} 114.534 0.050 0.050 {154.HG2#} 0.780 0.050 0.050 962142.31250 44229.06250 1 0
209 {146.HN} 8.422 0.050 0.050 {146.N} 120.247 0.050 0.050 {148.HA} 4.166 0.050 0.050 914760.18750 37778.50000 1 0
210 {160.HN} 8.245 0.050 0.050 {160.N} 113.813 0.050 0.050 {159.HB1} 2.238 0.050 0.050 383448.75000 19160.93750 1 0
212 {155.HN} 7.728 0.050 0.050 {155.N} 122.200 0.050 0.050 {152.HA} 3.978 0.050 0.050 996562.37500 52028.56250 1 0
213 {154.HN} 7.948 0.050 0.050 {154.N} 120.473 0.050 0.050 {151.HG2#} 1.198 0.050 0.050 485750.43750 22549.75000 1 0
216 {139.HN} 8.507 0.050 0.050 {139.N} 120.490 0.050 0.050 {142.HD1#} 0.676 0.050 0.050 1158066.56250 67280.62500 1 0
222 {147.HN} 7.994 0.050 0.050 {147.N} 105.666 0.050 0.050 {145.HG2#} 0.741 0.050 0.050 507792.93750 24526.68750 1 0
223 {146.HN} 8.422 0.050 0.050 {146.N} 120.266 0.050 0.050 {145.HG12} 0.667 0.050 0.050 1897036.62500 43270.68750 1 0
225 {145.HN} 8.454 0.050 0.050 {145.N} 121.362 0.050 0.050 {146.HG} 1.512 0.050 0.050 569106.18750 25283.37500 1 0
226 {144.HN} 7.855 0.050 0.050 {144.N} 124.774 0.050 0.050 {145.HG1#} 0.714 0.050 0.050 652719.87500 32574.31250 1 0
227 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {145.HN} 8.456 0.050 0.050 432284.18750 20646.68750 1 0
229 {142.HN} 8.629 0.050 0.050 {142.N} 118.958 0.050 0.050 {144.HN} 7.860 0.050 0.050 597212.06250 27395.12500 1 0
230 {142.HN} 8.625 0.050 0.050 {142.N} 118.947 0.050 0.050 {138.HA} 3.485 0.050 0.050 466556.68750 23078.93750 1 0
231 {142.HN} 8.627 0.050 0.050 {142.N} 119.021 0.050 0.050 {141.HG2} 1.735 0.050 0.050 675066.06250 31423.06250 1 0
232 {141.HN} 8.079 0.050 0.050 {141.N} 120.756 0.050 0.050 {138.HA} 3.483 0.050 0.050 611743.50000 28301.93750 1 0
234 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {141.HG1} 1.422 0.050 0.050 1293215.25000 48625.37500 1 0
235 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {138.HG2#} 0.804 0.050 0.050 990827.81250 29043.68750 1 0
236 {140.HN} 7.933 0.050 0.050 {140.N} 119.481 0.050 0.050 {138.HG2#} 0.804 0.050 0.050 384519.31250 18163.75000 1 0
239 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {135.HA} 3.956 0.050 0.050 642447.81250 25144.31250 1 0
240 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {137.HD1} 3.223 0.050 0.050 569272.81250 25467.43750 1 0
241 {136.HN} 8.607 0.050 0.050 {136.N} 120.861 0.050 0.050 {133.HB#} 1.397 0.050 0.050 472044.31250 23881.50000 1 0
242 {136.HN} 8.614 0.050 0.050 {136.N} 120.853 0.050 0.050 {135.HD2#} 0.770 0.050 0.050 891088.06250 39881.87500 1 0
243 {135.HN} 8.216 0.050 0.050 {135.N} 119.985 0.050 0.050 {133.HA} 4.136 0.050 0.050 535060.75000 22919.00000 1 0
246 {133.HN} 7.815 0.050 0.050 {133.N} 122.215 0.050 0.050 {132.HG2#} 1.151 0.050 0.050 824506.75000 41008.31250 1 0
247 {132.HN} 8.235 0.050 0.050 {132.N} 115.771 0.050 0.050 {131.HG11} 1.532 0.050 0.050 594339.87500 29618.31250 1 0
248 {132.HN} 8.237 0.050 0.050 {132.N} 115.785 0.050 0.050 {133.HB#} 1.384 0.050 0.050 797449.06250 37388.56250 1 0
249 {131.HN} 8.164 0.050 0.050 {131.N} 120.693 0.050 0.050 {131.HG11} 1.560 0.050 0.050 1413044.00000 64485.68750 1 0
250 {131.HN} 8.167 0.050 0.050 {131.N} 120.680 0.050 0.050 {127.HG2#} 1.153 0.050 0.050 446441.37500 19822.37500 1 0
251 {154.HN} 7.951 0.050 0.050 {154.N} 120.503 0.050 0.050 {154.HA} 3.738 0.050 0.050 3344240.62500 152548.25000 1 0
252 {154.HN} 7.950 0.050 0.050 {154.N} 120.510 0.050 0.050 {153.HA} 3.589 0.050 0.050 1413223.75000 53836.68750 1 0
254 {150.HN} 8.446 0.050 0.050 {150.N} 118.271 0.050 0.050 {150.HB#} 3.221 0.050 0.050 6720012.87500 305577.43750 1 0
258 {153.HN} 8.507 0.050 0.050 {153.N} 120.622 0.050 0.050 {154.HN} 7.951 0.050 0.050 3267295.68750 122649.56250 1 0
260 {139.HN} 8.499 0.050 0.050 {139.N} 120.490 0.050 0.050 {137.HN} 7.563 0.050 0.050 506955.75000 25529.25000 1 0
262 {138.HN} 7.775 0.050 0.050 {138.N} 121.660 0.050 0.050 {137.HN} 7.563 0.050 0.050 1359492.50000 46149.43750 1 0
263 {138.HN} 7.782 0.050 0.050 {138.N} 121.678 0.050 0.050 {137.HG#} 1.748 0.050 0.050 1023780.31250 40854.31250 1 0
267 {137.HN} 7.569 0.050 0.050 {137.N} 120.186 0.050 0.050 {140.HG2} 2.443 0.050 0.050 418459.18750 19390.93750 1 0
269 {135.HN} 8.223 0.050 0.050 {135.N} 119.935 0.050 0.050 {133.HN} 7.841 0.050 0.050 407839.31250 21617.62500 1 0
270 {135.HN} 8.226 0.050 0.050 {135.N} 120.034 0.050 0.050 {132.HA} 3.530 0.050 0.050 522438.25000 23776.68750 1 0
271 {134.HN} 7.471 0.050 0.050 {134.N} 116.623 0.050 0.050 {131.HA} 3.577 0.050 0.050 522776.18750 24514.31250 1 0
274 {128.HD22} 7.548 0.050 0.050 {128.ND2} 112.647 0.050 0.050 {128.HA} 4.592 0.050 0.050 374856.68750 19137.68750 1 0
275 {130.HD22} 7.559 0.050 0.050 {130.ND2} 112.584 0.050 0.050 {130.HB1} 2.850 0.050 0.050 1208358.50000 51379.75000 1 0
276 {130.HD21} 6.900 0.050 0.050 {130.ND2} 112.481 0.050 0.050 {127.HB} 4.168 0.050 0.050 724771.12500 36049.12500 1 0
277 {130.HD21} 6.905 0.050 0.050 {130.ND2} 112.547 0.050 0.050 {130.HB2} 2.781 0.050 0.050 1109531.06250 45877.68750 1 0
278 {130.HD21} 6.897 0.050 0.050 {130.ND2} 112.547 0.050 0.050 {130.HB1} 2.850 0.050 0.050 1022486.75000 40284.31250 1 0
280 {130.HN} 8.181 0.050 0.050 {130.N} 119.115 0.050 0.050 {130.HB1} 2.850 0.050 0.050 567420.62500 24718.75000 1 0
281 {131.HN} 8.167 0.050 0.050 {131.N} 120.717 0.050 0.050 {130.HB1} 2.850 0.050 0.050 649635.50000 30808.31250 1 0
282 {163.HN} 7.830 0.050 0.050 {163.N} 125.314 0.050 0.050 {163.HB2} 1.737 0.050 0.050 879294.12500 32877.00000 1 0
283 {163.HN} 7.824 0.050 0.050 {163.N} 125.516 0.050 0.050 {162.HB#} 1.310 0.050 0.050 672290.62500 37221.00000 1 0
284 {161.HN} 8.128 0.050 0.050 {161.N} 117.789 0.050 0.050 {160.HA} 4.284 0.050 0.050 617549.00000 28290.18750 1 0
286 {158.HN} 7.920 0.050 0.050 {158.N} 107.373 0.050 0.050 {158.HA2} 4.066 0.050 0.050 10897935.37500 505884.43750 1 0
287 {158.HN} 7.920 0.050 0.050 {158.N} 107.373 0.050 0.050 {157.HA} 4.315 0.050 0.050 3158826.43750 146300.00000 1 0
288 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {155.HA} 4.161 0.050 0.050 687187.00000 32147.62500 1 0
289 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {154.HG2#} 0.807 0.050 0.050 724433.93750 34699.00000 1 0
291 {157.HN} 7.743 0.050 0.050 {157.N} 124.422 0.050 0.050 {154.HA} 3.711 0.050 0.050 966886.00000 43184.62500 1 0
292 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {156.HB#} 3.813 0.050 0.050 1739926.18750 77777.12500 1 0
293 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {154.HN} 7.950 0.050 0.050 1574544.31250 73683.06250 1 0
294 {156.HN} 7.723 0.050 0.050 {156.N} 112.769 0.050 0.050 {156.HA} 4.295 0.050 0.050 3440920.56250 163905.62500 1 0
298 {156.HN} 7.723 0.050 0.050 {156.N} 112.786 0.050 0.050 {153.HA} 3.589 0.050 0.050 1119691.75000 49581.75000 1 0
303 {156.HN} 7.714 0.050 0.050 {156.N} 112.823 0.050 0.050 {153.HN} 8.510 0.050 0.050 440867.68750 21327.18750 1 0
306 {155.HN} 7.748 0.050 0.050 {155.N} 122.160 0.050 0.050 {152.HD1#} 0.689 0.050 0.050 556251.81250 19159.68750 1 0
307 {155.HN} 7.730 0.050 0.050 {155.N} 122.160 0.050 0.050 {151.HG2#} 1.190 0.050 0.050 792516.68750 27240.12500 1 0
308 {155.HN} 7.727 0.050 0.050 {155.N} 122.197 0.050 0.050 {153.HN} 8.510 0.050 0.050 567608.18750 29210.37500 1 0
310 {154.HN} 7.950 0.050 0.050 {154.N} 120.565 0.050 0.050 {150.HA} 4.140 0.050 0.050 945893.87500 40045.75000 1 0
311 {154.HN} 7.945 0.050 0.050 {154.N} 120.565 0.050 0.050 {152.HA} 4.048 0.050 0.050 415909.50000 26704.43750 1 0
314 {153.HN} 8.506 0.050 0.050 {153.N} 120.616 0.050 0.050 {156.HB#} 3.814 0.050 0.050 676329.31250 38725.12500 1 0
315 {153.HN} 8.505 0.050 0.050 {153.N} 120.543 0.050 0.050 {156.HN} 7.738 0.050 0.050 2666498.56250 116107.37500 1 0
318 {153.HN} 8.503 0.050 0.050 {153.N} 120.616 0.050 0.050 {152.HG} 1.727 0.050 0.050 742516.18750 42969.68750 1 0
319 {153.HN} 8.506 0.050 0.050 {153.N} 120.598 0.050 0.050 {149.HB1} 1.843 0.050 0.050 2058920.37500 64051.37500 1 0
320 {153.HN} 8.501 0.050 0.050 {153.N} 120.616 0.050 0.050 {154.HB} 1.979 0.050 0.050 880108.18750 44677.56250 1 0
321 {153.HN} 8.506 0.050 0.050 {153.N} 120.616 0.050 0.050 {153.HG1#} 0.855 0.050 0.050 3806290.87500 182733.75000 1 0
323 {153.HN} 8.508 0.050 0.050 {153.N} 120.616 0.050 0.050 {152.HD1#} 0.690 0.050 0.050 2308063.43750 90425.00000 1 0
326 {153.HN} 8.502 0.050 0.050 {153.N} 120.506 0.050 0.050 {150.HA} 4.182 0.050 0.050 2922904.12500 134565.93750 1 0
336 {151.HN} 7.570 0.050 0.050 {151.N} 114.427 0.050 0.050 {149.HN} 8.492 0.050 0.050 2630264.62500 115477.93750 1 0
338 {151.HN} 7.572 0.050 0.050 {151.N} 114.482 0.050 0.050 {150.HA} 4.100 0.050 0.050 1343539.81250 45302.81250 1 0
339 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {149.HA} 3.931 0.050 0.050 1246760.31250 59104.68750 1 0
340 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {153.HG1#} 0.855 0.050 0.050 1163276.87500 41522.25000 1 0
350 {148.HN} 7.749 0.050 0.050 {148.N} 120.953 0.050 0.050 {145.HG2#} 0.741 0.050 0.050 915913.68750 39654.25000 1 0
354 {147.HN} 7.999 0.050 0.050 {147.N} 105.666 0.050 0.050 {150.HN} 8.448 0.050 0.050 2188698.31250 98730.06250 1 0
359 {146.HN} 8.421 0.050 0.050 {146.N} 120.229 0.050 0.050 {146.HG} 1.486 0.050 0.050 3229246.37500 111588.25000 1 0
360 {146.HN} 8.420 0.050 0.050 {146.N} 120.327 0.050 0.050 {142.HB1} 2.203 0.050 0.050 561012.43750 26996.75000 1 0
361 {146.HN} 8.411 0.050 0.050 {146.N} 120.247 0.050 0.050 {144.HA} 4.039 0.050 0.050 480821.50000 22889.37500 1 0
363 {145.HN} 8.452 0.050 0.050 {145.N} 121.430 0.050 0.050 {145.HG1#} 0.684 0.050 0.050 2423233.87500 95610.43750 1 0
364 {145.HN} 8.461 0.050 0.050 {145.N} 121.432 0.050 0.050 {145.HG2#} 0.741 0.050 0.050 2362472.43750 111027.56250 1 0
366 {145.HN} 8.472 0.050 0.050 {145.N} 121.382 0.050 0.050 {141.HA} 4.151 0.050 0.050 601776.12500 26883.43750 1 0
367 {145.HN} 8.449 0.050 0.050 {145.N} 121.432 0.050 0.050 {144.HA} 4.040 0.050 0.050 801521.75000 38060.62500 1 0
369 {145.HN} 8.456 0.050 0.050 {145.N} 121.432 0.050 0.050 {146.HB1} 1.837 0.050 0.050 685429.87500 30277.06250 1 0
373 {144.HN} 7.859 0.050 0.050 {144.N} 124.800 0.050 0.050 {143.HN} 8.085 0.050 0.050 2847597.25000 128257.06250 1 0
377 {144.HN} 7.861 0.050 0.050 {144.N} 124.766 0.050 0.050 {145.HB} 2.052 0.050 0.050 1317394.18750 62456.37500 1 0
378 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {146.HD#} 0.850 0.050 0.050 1057246.25000 44944.81250 1 0
379 {143.HN} 8.086 0.050 0.050 {143.N} 115.367 0.050 0.050 {142.HG} 1.955 0.050 0.050 865770.00000 41479.75000 1 0
383 {142.HN} 8.629 0.050 0.050 {142.N} 118.958 0.050 0.050 {141.HG1} 1.422 0.050 0.050 470392.68750 21510.75000 1 0
384 {142.HN} 8.625 0.050 0.050 {142.N} 118.928 0.050 0.050 {142.HA} 4.004 0.050 0.050 1422214.68750 64911.62500 1 0
386 {142.HN} 8.631 0.050 0.050 {142.N} 118.952 0.050 0.050 {142.HB1} 2.157 0.050 0.050 2118786.00000 96672.43750 1 0
387 {142.HN} 8.629 0.050 0.050 {142.N} 118.958 0.050 0.050 {139.HA} 4.215 0.050 0.050 911284.87500 48474.37500 1 0
388 {142.HN} 8.627 0.050 0.050 {142.N} 118.959 0.050 0.050 {141.HN} 8.087 0.050 0.050 3168117.75000 144271.43750 1 0
392 {141.HN} 8.079 0.050 0.050 {141.N} 120.825 0.050 0.050 {144.HN} 7.860 0.050 0.050 829408.81250 34107.43750 1 0
395 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {142.HG} 1.958 0.050 0.050 783629.62500 27614.43750 1 0
399 {140.HN} 7.937 0.050 0.050 {140.N} 119.446 0.050 0.050 {141.HG2} 1.768 0.050 0.050 591147.87500 27742.87500 1 0
402 {140.HN} 7.933 0.050 0.050 {140.N} 119.444 0.050 0.050 {136.HA} 4.212 0.050 0.050 1277922.68750 55132.25000 1 0
403 {139.HN} 8.499 0.050 0.050 {139.N} 120.480 0.050 0.050 {140.HG2} 2.413 0.050 0.050 516307.75000 24470.75000 1 0
407 {139.HN} 8.503 0.050 0.050 {139.N} 120.480 0.050 0.050 {138.HB} 1.930 0.050 0.050 2058920.37500 91488.87500 1 0
408 {139.HN} 8.504 0.050 0.050 {139.N} 120.490 0.050 0.050 {140.HB1} 2.086 0.050 0.050 2220591.68750 83170.87500 1 0
409 {139.HN} 8.503 0.050 0.050 {139.N} 120.490 0.050 0.050 {140.HB2} 2.202 0.050 0.050 1361941.68750 93448.43750 1 0
412 {139.HN} 8.505 0.050 0.050 {139.N} 120.490 0.050 0.050 {140.HN} 7.933 0.050 0.050 3267295.68750 143096.62500 1 0
417 {139.HN} 8.506 0.050 0.050 {139.N} 120.600 0.050 0.050 {138.HG1#} 0.900 0.050 0.050 5184318.12500 233621.50000 1 0
418 {139.HN} 8.497 0.050 0.050 {139.N} 120.490 0.050 0.050 {138.HA} 3.488 0.050 0.050 514059.81250 25882.25000 1 0
419 {139.HN} 8.504 0.050 0.050 {139.N} 120.589 0.050 0.050 {135.HA} 3.997 0.050 0.050 1496329.87500 69752.68750 1 0
424 {138.HN} 7.773 0.050 0.050 {138.N} 121.710 0.050 0.050 {135.HA} 3.948 0.050 0.050 792537.68750 35961.37500 1 0
427 {137.HN} 7.563 0.050 0.050 {137.N} 120.091 0.050 0.050 {136.HN} 8.614 0.050 0.050 1315663.81250 54020.93750 1 0
429 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {137.HD2} 3.165 0.050 0.050 512917.37500 21281.56250 1 0
430 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {134.HA} 3.938 0.050 0.050 651071.43750 25033.18750 1 0
431 {136.HN} 8.614 0.050 0.050 {136.N} 120.883 0.050 0.050 {137.HB1} 1.904 0.050 0.050 1207189.62500 54348.12500 1 0
437 {136.HN} 8.613 0.050 0.050 {136.N} 120.877 0.050 0.050 {132.HA} 3.544 0.050 0.050 699885.18750 31995.81250 1 0
440 {136.HN} 8.604 0.050 0.050 {136.N} 120.826 0.050 0.050 {134.HN} 7.466 0.050 0.050 572288.00000 26152.87500 1 0
441 {135.HN} 8.220 0.050 0.050 {135.N} 119.983 0.050 0.050 {135.HG} 1.838 0.050 0.050 2167033.87500 93793.50000 1 0
444 {135.HN} 8.219 0.050 0.050 {135.N} 119.985 0.050 0.050 {135.HB1} 1.959 0.050 0.050 1706038.81250 75025.31250 1 0
448 {134.HN} 7.466 0.050 0.050 {134.N} 116.649 0.050 0.050 {131.HG2#} 0.768 0.050 0.050 574137.06250 27131.93750 1 0
454 {134.HN} 7.465 0.050 0.050 {134.N} 116.473 0.050 0.050 {136.HN} 8.606 0.050 0.050 379173.18750 19086.62500 1 0
455 {133.HN} 7.815 0.050 0.050 {133.N} 122.225 0.050 0.050 {132.HN} 8.221 0.050 0.050 1804152.62500 84363.31250 1 0
467 {131.HN} 8.159 0.050 0.050 {131.N} 120.680 0.050 0.050 {131.HG12} 0.978 0.050 0.050 680586.43750 29779.81250 1 0
470 {131.HN} 8.171 0.050 0.050 {131.N} 120.745 0.050 0.050 {134.HN} 7.477 0.050 0.050 381379.56250 19390.31250 1 0
472 {128.HD22} 7.555 0.050 0.050 {128.ND2} 112.647 0.050 0.050 {128.HB1} 2.696 0.050 0.050 3351378.06250 138464.62500 1 0
473 {128.HD22} 7.552 0.050 0.050 {128.ND2} 112.584 0.050 0.050 {128.HD21} 6.846 0.050 0.050 22686713.62500 944302.68750 1 0
477 {130.HD22} 7.559 0.050 0.050 {130.ND2} 112.584 0.050 0.050 {130.HD21} 6.897 0.050 0.050 15303099.56250 727601.93750 1 0
482 {129.HN} 8.207 0.050 0.050 {129.N} 120.758 0.050 0.050 {128.HB1} 2.696 0.050 0.050 496002.31250 21267.00000 1 0
489 {130.HD22} 7.551 0.050 0.050 {130.ND2} 112.573 0.050 0.050 {131.HD1#} 0.791 0.050 0.050 634104.62500 30389.12500 1 0
492 {128.HD21} 6.867 0.050 0.050 {128.ND2} 112.639 0.050 0.050 {128.HB2} 2.754 0.050 0.050 1576449.06250 73788.56250 1 0
493 {158.HN} 7.922 0.050 0.050 {158.N} 107.404 0.050 0.050 {156.HB#} 3.833 0.050 0.050 842492.37500 43214.31250 1 0
499 {150.HN} 8.448 0.050 0.050 {150.N} 118.304 0.050 0.050 {149.HG} 1.698 0.050 0.050 631196.12500 33094.87500 1 0
500 {149.HN} 8.492 0.050 0.050 {149.N} 119.557 0.050 0.050 {152.HG} 1.710 0.050 0.050 2613987.68750 117362.81250 1 0
502 {144.HN} 7.860 0.050 0.050 {144.N} 124.771 0.050 0.050 {145.HD1#} 0.841 0.050 0.050 1352069.37500 62067.25000 1 0
503 {144.HN} 7.865 0.050 0.050 {144.N} 124.838 0.050 0.050 {146.HB2} 1.522 0.050 0.050 523565.50000 25434.87500 1 0
505 {143.HN} 8.091 0.050 0.050 {143.N} 115.362 0.050 0.050 {140.HG2} 2.420 0.050 0.050 420061.87500 23296.87500 1 0
506 {137.HN} 7.562 0.050 0.050 {137.N} 120.034 0.050 0.050 {140.HB2} 2.221 0.050 0.050 516047.31250 22416.62500 1 0
508 {137.HN} 7.567 0.050 0.050 {137.N} 120.072 0.050 0.050 {141.HG1} 1.432 0.050 0.050 514322.00000 24854.93750 1 0
509 {137.HN} 7.566 0.050 0.050 {137.N} 120.024 0.050 0.050 {138.HD1#} 0.779 0.050 0.050 668659.56250 32200.06250 1 0
510 {136.HN} 8.610 0.050 0.050 {136.N} 120.848 0.050 0.050 {137.HG#} 1.767 0.050 0.050 750692.93750 35026.93750 1 0
519 {130.HD21} 6.891 0.050 0.050 {130.ND2} 112.523 0.050 0.050 {133.HB#} 1.387 0.050 0.050 558646.81250 28081.00000 1 0
525 {142.HN} 8.626 0.050 0.050 {142.N} 118.931 0.050 0.050 {141.HB2} 1.534 0.050 0.050 1165411.87500 53957.31250 1 0
526 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {141.HB2} 1.592 0.050 0.050 1216654.06250 51287.68750 1 0
528 {140.HN} 7.933 0.050 0.050 {140.N} 119.481 0.050 0.050 {139.HB2} 2.714 0.050 0.050 2055244.25000 92038.31250 1 0
535 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {137.HB2} 1.972 0.050 0.050 3055913.06250 131601.87500 1 0
539 {128.HD22} 7.559 0.050 0.050 {128.ND2} 112.555 0.050 0.050 {132.HG2#} 1.138 0.050 0.050 659354.06250 33447.00000 1 0
540 {128.HD21} 6.864 0.050 0.050 {128.ND2} 112.731 0.050 0.050 {131.HD1#} 0.794 0.050 0.050 676989.06250 35976.00000 1 0
541 {128.HD21} 6.865 0.050 0.050 {128.ND2} 112.706 0.050 0.050 {131.HG12} 0.977 0.050 0.050 605766.68750 38696.43750 1 0
542 {128.HD21} 6.866 0.050 0.050 {128.ND2} 112.697 0.050 0.050 {127.HG2#} 1.144 0.050 0.050 456764.75000 24404.93750 1 0
548 {155.HN} 7.732 0.050 0.050 {155.N} 122.160 0.050 0.050 {156.HB#} 3.813 0.050 0.050 726783.62500 46806.62500 1 0
552 {147.HN} 7.999 0.050 0.050 {147.N} 105.666 0.050 0.050 {147.HA1} 3.852 0.050 0.050 4525245.18750 175146.18750 1 0
555 {149.HN} 8.492 0.050 0.050 {149.N} 119.557 0.050 0.050 {148.HB1} 1.765 0.050 0.050 2266186.25000 99707.62500 1 0
560 {155.HN} 7.727 0.050 0.050 {155.N} 122.140 0.050 0.050 {154.HN} 7.946 0.050 0.050 4314555.87500 203381.56250 1 0
561 {154.HN} 7.951 0.050 0.050 {154.N} 120.529 0.050 0.050 {155.HN} 7.729 0.050 0.050 3596071.37500 167087.75000 1 0
564 {154.HN} 7.949 0.050 0.050 {154.N} 120.510 0.050 0.050 {152.HN} 7.671 0.050 0.050 2602832.93750 85621.50000 1 0
565 {154.HN} 7.952 0.050 0.050 {154.N} 120.502 0.050 0.050 {153.HG2#} 0.921 0.050 0.050 2158156.18750 100058.68750 1 0
569 {157.HN} 7.742 0.050 0.050 {157.N} 124.505 0.050 0.050 {158.HA2} 4.064 0.050 0.050 617596.62500 30567.50000 1 0
570 {157.HN} 7.738 0.050 0.050 {157.N} 124.512 0.050 0.050 {158.HA1} 4.030 0.050 0.050 734111.25000 38188.25000 1 0
571 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {147.HA1} 3.853 0.050 0.050 1246710.31250 55697.06250 1 0
572 {148.HN} 7.749 0.050 0.050 {148.N} 120.953 0.050 0.050 {147.HA1} 3.853 0.050 0.050 1336441.56250 58361.00000 1 0
573 {148.HN} 7.745 0.050 0.050 {148.N} 120.953 0.050 0.050 {144.HB1} 2.137 0.050 0.050 1375585.68750 77971.81250 1 0
574 {147.HN} 7.999 0.050 0.050 {147.N} 105.666 0.050 0.050 {144.HA} 4.040 0.050 0.050 1280830.50000 55040.00000 1 0
581 {143.HN} 8.086 0.050 0.050 {143.N} 115.386 0.050 0.050 {142.HB2} 1.146 0.050 0.050 1054751.18750 47980.56250 1 0
582 {142.HN} 8.626 0.050 0.050 {142.N} 118.929 0.050 0.050 {142.HB2} 1.149 0.050 0.050 1126997.06250 52188.75000 1 0
584 {141.HN} 8.081 0.050 0.050 {141.N} 120.807 0.050 0.050 {142.HB1} 2.195 0.050 0.050 2453894.50000 110435.37500 1 0
587 {138.HN} 7.772 0.050 0.050 {138.N} 121.678 0.050 0.050 {135.HD2#} 0.696 0.050 0.050 405490.87500 20195.31250 1 0
590 {136.HN} 8.615 0.050 0.050 {136.N} 120.904 0.050 0.050 {135.HB2} 1.182 0.050 0.050 789632.75000 35928.87500 1 0
591 {136.HN} 8.616 0.050 0.050 {136.N} 120.883 0.050 0.050 {133.HA} 4.112 0.050 0.050 1233114.18750 54700.31250 1 0
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H-aliphatic . folded 4261.4 Hz . . . 4.76 . . 34513 3
2 . . C 13 C-aliphatic . folded 15290.5 Hz . . . 41.7 . . 34513 3
3 . . H 1 H . folded 9505.7 Hz . . . 4.76 . . 34513 3
stop_
save_