######################### # 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 51093 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name PL_TROSY_GB1_pSu9(1-69) _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 1 _Spectral_peak_list.Experiment_name '2D 1H-15N TROSY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 2 . . 53204548 . 8.004719776 . 129.4253098 . A 64 GLU H A 64 GLU N 1 . . . 1 2 3 . . 33121960 . 9.188757543 . 128.8891384 . A 51 TRP H A 51 TRP N 1 . . . 1 3 4 . . 84748488 . 8.21197494 . 128.7974774 . A 100 ALA H A 100 ALA N 1 . . . 1 4 5 . . 80323760 . 8.274819431 . 128.6275486 . A 107 ALA H A 107 ALA N 1 . . . 1 5 6 . . 55829124 . 8.328138101 . 127.9265716 . A 48 ASP H A 48 ASP N 1 . . . 1 6 7 . . 27960678 . 8.521007967 . 127.194362 . A 13 LEU H A 13 LEU N 1 . . . 1 7 8 . . 29542406 . 8.958926052 . 126.9588418 . A 14 ILE H A 14 ILE N 1 . . . 1 8 9 . . 34335816 . 8.607663515 . 126.5319207 . A 15 LEU H A 15 LEU N 1 . . . 1 9 10 . . 192159472 . 7.698975355 . 126.5044605 . A 149 GLU H A 149 GLU N 1 . . . 1 10 11 . . 40167988 . 8.715565083 . 126.212741 . A 16 ASN H A 16 ASN N 1 . . . 1 11 12 . . 55244836 . 8.279781301 . 126.0156945 . A 105 ARG H A 105 ARG N 1 . . . 1 12 13 . . 76261008 . 8.13105773 . 125.9884645 . A 85 LEU H A 85 LEU N 1 . . . 1 13 14 . . 24120024 . 7.982994785 . 125.9785507 . A 97 ALA H A 97 ALA N 1 . . . 1 14 15 . . 27537736 . 8.172021936 . 125.8034285 . A 144 ALA H A 144 ALA N 1 . . . 1 15 16 . . 67645688 . 8.413753038 . 125.57405 . A 55 ASP H A 55 ASP N 1 . . . 1 16 17 . . 21139568 . 8.191729184 . 125.4746569 . A 80 ALA H A 80 ALA N 1 . . . 1 17 18 . . 26077358 . 9.032190829 . 125.2186219 . A 11 TYR H A 11 TYR N 1 . . . 1 18 19 . . 96477616 . 8.271300036 . 125.199443 . A 103 ALA H A 103 ALA N 1 . . . 1 19 20 . . 31089936 . 8.115376464 . 125.2123756 . A 139 ALA H A 139 ALA N 1 . . . 1 20 21 . . 73792586.74 . 8.04278508 . 125.046976 . A 94 ALA H A 94 ALA N 1 . . . 1 21 22 . . 35631516 . 9.28234106 . 125.0441772 . A 28 ALA H A 28 ALA N 1 . . . 1 22 23 . . 29108758 . 8.184761406 . 124.8741199 . A 86 ALA H A 86 ALA N 1 . . . 1 23 24 . . 164604592 . 8.139120275 . 124.675207 . A 148 LEU H A 148 LEU N 1 . . . 1 24 25 . . 206954032 . 8.031551889 . 124.643279 . A 132 VAL H A 132 VAL N 1 . . . 1 25 26 . . 48477328 . 7.996110296 . 124.3296015 . A 21 LYS H A 21 LYS N 1 . . . 1 26 27 . . 131651224 . 8.095100941 . 124.246825 . A 114 ILE H A 114 ILE N 1 . . . 1 27 28 . . 44314428 . 7.757856089 . 124.2676312 . A 58 LYS H A 58 LYS N 1 . . . 1 28 29 . . 46895832 . 7.840663185 . 124.2001602 . A 27 GLU H A 27 GLU N 1 . . . 1 29 30 . . 39484708 . 8.220296606 . 124.0705375 . A 63 THR H A 63 THR N 1 . . . 1 30 31 . . 41551724 . 8.079981853 . 123.7771382 . A 62 VAL H A 62 VAL N 1 . . . 1 31 32 . . 17366710 . 8.155117149 . 123.5958646 . A 137 ARG H A 137 ARG N 1 . . . 1 32 33 . . 35454144 . 9.001527478 . 123.4453296 . A 39 LYS H A 39 LYS N 1 . . . 1 33 34 . . 113447464 . 8.041674498 . 123.4481065 . A 131 ILE H A 131 ILE N 1 . . . 1 34 35 . . 40193608 . 9.059288698 . 123.3163958 . A 42 ALA H A 42 ALA N 1 . . . 1 35 36 . . 30595938 . 8.115231392 . 123.242937 . A 142 LYS H A 142 LYS N 1 . . . 1 36 37 . . 58821028 . 8.053423926 . 123.2390164 . A 95 ALA H A 95 ALA N 1 . . . 1 37 38 . . 33595684 . 9.001024298 . 123.1751206 . A 12 LYS H A 12 LYS N 1 . . . 1 38 39 . . 19017486 . 8.319270216 . 123.1627234 . A 133 ASN H A 133 ASN N 1 . . . 1 39 40 . . 84928640 . 8.501246025 . 122.9878881 . A 71 GLU H A 71 GLU N 1 . . . 1 40 41 . . 73297592 . 8.14448329 . 122.9179718 . A 124 LYS H A 124 LYS N 1 . . . 1 41 42 . . 142620944 . 8.075936145 . 122.8871034 . A 106 VAL H A 106 VAL N 1 . . . 1 42 43 . . 42938552 . 8.304165474 . 122.8285091 . A 9 LYS H A 9 LYS N 1 . . . 1 43 44 . . 114257128 . 7.933530306 . 122.6154329 . A 73 LEU H A 73 LEU N 1 . . . 1 44 45 . . 85785144 . 8.000166046 . 122.5456293 . A 89 LEU H A 89 LEU N 1 . . . 1 45 46 . . 19556484 . 8.063259259 . 122.4011786 . A 92 GLN H A 92 GLN N 1 . . . 1 46 47 . . 106435312 . 8.108139881 . 122.3267108 . A 109 VAL H A 109 VAL N 1 . . . 1 47 48 . . 100301248 . 8.143808856 . 122.2402073 . A 101 ARG H A 101 ARG N 1 . . . 1 48 49 . . 36334304 . 8.011664242 . 122.2475572 . A 141 GLN H A 141 GLN N 1 . . . 1 49 50 . . 32887566 . 8.8150824 . 122.1627813 . A 44 ASP H A 44 ASP N 1 . . . 1 50 51 . . 151971488 . 8.100745314 . 121.9634714 . A 120 LEU H A 120 LEU N 1 . . . 1 51 52 . . 111314368 . 7.924351475 . 121.9673148 . A 84 VAL H A 84 VAL N 1 . . . 1 52 53 . . 50440124 . 8.12783888 . 121.8604537 . A 31 ALA H A 31 ALA N 1 . . . 1 53 54 . . 51161848 . 9.141852542 . 121.8209113 . A 18 LYS H A 18 LYS N 1 . . . 1 54 55 . . 25957166 . 8.184408678 . 121.8024346 . A 138 GLN H A 138 GLN N 1 . . . 1 55 56 . . 76412504 . 7.935281037 . 121.6977281 . A 75 PHE H A 75 PHE N 1 . . . 1 56 57 . . 34600624 . 8.117911196 . 121.55677 . A 41 TYR H A 41 TYR N 1 . . . 1 57 58 . . 55345560 . 8.014410754 . 121.4799158 . A 47 VAL H A 47 VAL N 1 . . . 1 58 59 . . 55153936 . 7.91421972 . 121.4370665 . A 50 GLU H A 50 GLU N 1 . . . 1 59 60 . . 186980128 . 7.807086372 . 121.2960686 . A 99 VAL H A 99 VAL N 1 . . . 1 60 61 . . 56968936 . 8.465805687 . 121.2778559 . A 53 TYR H A 53 TYR N 1 . . . 1 61 62 . . 32422454 . 8.344950895 . 121.2862047 . A 38 PHE H A 38 PHE N 1 . . . 1 62 63 . . 50961728 . 8.158027025 . 121.2689759 . A 121 GLN H A 121 GLN N 1 . . . 1 63 64 . . 85691176 . 7.916300047 . 121.0716757 . A 32 ALA H A 32 ALA N 1 . . . 1 64 65 . . 54498064 . 8.093777716 . 120.9928559 . A 93 MET H A 93 MET N 1 . . . 1 65 66 . . 31643600 . 8.231025327 . 120.9313399 . A 108 GLN H A 108 GLN N 1 . . . 1 66 67 . . 86413200 . 8.203283329 . 120.739792 . A 56 ALA H A 56 ALA N 1 . . . 1 67 68 . . 202582416 . 7.960000545 . 120.3610309 . A 104 VAL H A 104 VAL N 1 . . . 1 68 70 . . 67310384 . 8.269765927 . 120.1534891 . A 8 MET H A 8 MET N 1 . . . 1 69 71 . . 96728880 . 7.927210602 . 120.0796189 . A 74 TYR H A 74 TYR N 1 . . . 1 70 72 . . 65409836 . 7.988002382 . 119.8187373 . A 145 TYR H A 145 TYR N 1 . . . 1 71 73 . . 74656944 . 7.930377985 . 119.6189382 . A 10 GLN H A 10 GLN N 1 . . . 1 72 74 . . 59687368 . 8.217191627 . 119.4878933 . A 72 ASN H A 72 ASN N 1 . . . 1 73 75 . . 52574508 . 8.266815883 . 119.3743422 . A 23 GLU H A 23 GLU N 1 . . . 1 74 76 . . 90053152 . 7.956594841 . 119.3355648 . A 140 PHE H A 140 PHE N 1 . . . 1 75 77 . . 46809176 . 8.178481871 . 118.3447612 . A 43 ASN H A 43 ASN N 1 . . . 1 76 78 . . 36522064 . 8.954878013 . 117.5156393 . A 61 THR H A 61 THR N 1 . . . 1 77 79 . . 13753542 . 8.102263822 . 117.4044048 . A 66 SER H A 66 SER N 1 . . . 1 78 80 . . 42282040 . 8.243813753 . 117.3706392 . A 35 GLU H A 35 GLU N 1 . . . 1 79 81 . . 54860900 . 8.15176309 . 116.9838222 . A 33 THR H A 33 THR N 1 . . . 1 80 82 . . 43096884 . 8.656449974 . 116.7377219 . A 24 THR H A 24 THR N 1 . . . 1 81 83 . . 16661152 . 7.909926008 . 116.7228998 . A 136 THR H A 136 THR N 1 . . . 1 82 85 . . 28054242 . 8.126933657 . 116.3094065 . A 70 SER H A 70 SER N 1 . . . 1 83 86 . . 21492182 . 7.974838633 . 115.8914109 . A 122 THR H A 122 THR N 1 . . . 1 84 88 . . 52753076 . 8.620591633 . 115.7472617 . A 29 VAL H A 29 VAL N 1 . . . 1 85 89 . . 33938172 . 8.870397833 . 115.4910508 . A 26 THR H A 26 THR N 1 . . . 1 86 90 . . 36910000 . 9.128146252 . 114.9854466 . A 52 THR H A 52 THR N 1 . . . 1 87 91 . . 27687218 . 7.979839237 . 114.6991236 . A 96 SER H A 96 SER N 1 . . . 1 88 92 . . 20037350 . 8.026108896 . 114.5936917 . A 87 SER H A 87 SER N 1 . . . 1 89 93 . . 50946228 . 8.663568271 . 113.316279 . A 65 GLY H A 65 GLY N 1 . . . 1 90 94 . . 24909370 . 8.075037019 . 113.19829 . A 135 THR H A 135 THR N 1 . . . 1 91 95 . . 42284592 . 7.986583667 . 112.8212417 . A 25 THR H A 25 THR N 1 . . . 1 92 96 . . 16110253 . 8.50114139 . 112.0289576 . A 69 GLY H A 69 GLY N 1 . . . 1 93 97 . . 52056668 . 7.808412825 . 110.5925901 . A 17 GLY H A 17 GLY N 1 . . . 1 94 98 . . 45610584 . 8.286648747 . 110.096221 . A 22 GLY H A 22 GLY N 1 . . . 1 95 99 . . 38021604 . 8.708988835 . 109.457328 . A 19 THR H A 19 THR N 1 . . . 1 96 100 . . 85491656 . 7.869910601 . 108.2251386 . A 49 GLY H A 49 GLY N 1 . . . 1 97 101 . . 28029028 . 7.765196638 . 109.2982772 . A 77 GLY H A 77 GLY N 1 . . . 1 98 102 . . 39975864 . 7.692196125 . 108.8380859 . A 46 GLY H A 46 GLY N 1 . . . 1 99 103 . . 45931900 . 6.908172576 . 124.2774583 . A 34 ALA H A 34 ALA N 1 . . . 1 100 104 . . 43461460 . 7.179214394 . 121.176503 . A 37 VAL H A 37 VAL N 1 . . . 1 101 105 . . 50707556 . 7.343818885 . 120.2877194 . A 40 GLN H A 40 GLN N 1 . . . 1 102 106 . . 49462132 . 6.844642263 . 117.3060964 . A 36 LYS H A 36 LYS N 1 . . . 1 103 107 . . 22396348 . 7.26535329 . 115.9593014 . A 45 ASN H A 45 ASN N 1 . . . 1 104 108 . . 75912880 . 7.253857 . 115.7000293 . A 30 ASP H A 30 ASP N 1 . . . 1 105 109 . . 55309908 . 7.516447691 . 129.1024864 . A 54 ASP H A 54 ASP N 1 . . . 1 106 110 . . 53616440 . 7.211107587 . 125.5405286 . A 20 LEU H A 20 LEU N 1 . . . 1 107 111 . . 56728812 . 6.894276528 . 103.9880696 . A 57 THR H A 57 THR N 1 . . . 1 108 112 . . 11353681 . 8.218981672 . 122.9742689 . A 143 ARG H A 143 ARG N 1 . . . 1 109 114 . . 12619411 . 8.0620421 . 115.1650805 . A 91 SER H A 91 SER N 1 . . . 1 110 117 . . 58336738.23 . 7.995506334 . 120.6050842 . A 98 LYS H A 98 LYS N 1 . . . 1 111 119 . . 41820129.69 . 8.116791148 . 124.3588873 . A 90 ALA H A 90 ALA N 1 . . . 1 112 121 . . 31222866.28 . 8.394532474 . 125.5183157 . A 115 GLN H A 115 GLN N 1 . . . 1 113 122 . . 74905416 . 8.037627176 . 125.1042978 . A 123 LEU H A 123 LEU N 1 . . . 1 114 124 . . 60598572 . 7.25611136 . 111.7437528 . A 59 THR H A 59 THR N 1 . . . 1 115 126 . . 12262969 . 10.28815768 . 131.5736142 . A 60 PHE H A 60 PHE N 1 . . . 1 116 127 . . 52826285.44 . 8.123639113 . 122.3792517 . A 76 GLN H A 76 GLN N 1 . . . 1 117 128 . . 7708127.775 . 8.016228177 . 117.6685744 . A 146 SER H A 146 SER N 1 . . . 1 118 129 . . 10856049.17 . 8.11931855 . 117.2909176 . A 113 THR H A 113 THR N 1 . . . 1 119 130 . . 10276303.41 . 8.127198089 . 116.4518837 . A 116 THR H A 116 THR N 1 . . . 1 120 131 . . 8003745.109 . 8.298615978 . 111.7824438 . A 117 GLY H A 117 GLY N 1 . . . 1 121 132 . . 14633817.45 . 8.196743977 . 124.9867223 . A 134 ALA H A 134 ALA N 1 . . . 1 122 133 . . 5146920.311 . 8.149813655 . 118.4398693 . A 147 SER H A 147 SER N 1 . . . 1 ; 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 . aliased 5.45298 ppm . . . . . . 51093 1 2 . . N 15 N . aliased 36.0032 ppm . . . . . . 51093 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 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 51093 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name PL_HNCACB_GB1_pSu9(1-69) _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 2 _Spectral_peak_list.Experiment_name '3D HNCO' _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 6223344.5 . 7.992800652 . 129.445866 . 174.4664335 . A 64 GLU H A 64 GLU N A 63 THR C 1 . . . 1 2 4 . . 32598342 . 8.223419484 . 128.8085238 . 175.5929809 . A 100 ALA H A 100 ALA N A 99 VAL C 1 . . . 1 3 5 . . 28980296 . 8.29260784 . 128.744441 . 175.711 . A 107 ALA H A 107 ALA N A 106 VAL C 1 . . . 1 4 6 . . 7830077 . 8.335655451 . 127.9383288 . 173.6568182 . A 48 ASP H A 48 ASP N A 47 VAL C 1 . . . 1 5 7 . . 2478246.693 . 8.93995762 . 126.842 . 174.5257992 . A 14 ILE H A 14 ILE N A 13 LEU C 1 . . . 1 6 8 . . 1826657.357 . 8.937647523 . 126.842 . 174.6145069 . A 14 ILE H A 14 ILE N A 14 ILE C 1 . . . 1 7 11 . . 1808872.214 . 8.592905702 . 126.5044558 . 174.7352984 . A 15 LEU H A 15 LEU N A 15 LEU C 1 . . . 1 8 12 . . 2802894.923 . 8.586166104 . 126.5044558 . 174.6533449 . A 15 LEU H A 15 LEU N A 14 ILE C 1 . . . 1 9 16 . . 67388320 . 7.695915739 . 126.4237711 . 176.4152574 . A 149 GLU H A 149 GLU N A 148 LEU C 1 . . . 1 10 18 . . 5064868 . 8.701712884 . 126.0828268 . 174.8922797 . A 16 ASN H A 16 ASN N A 15 LEU C 1 . . . 1 11 20 . . 16622900 . 8.293690003 . 126.1001327 . 175.9261651 . A 105 ARG H A 105 ARG N A 104 VAL C 1 . . . 1 12 22 . . 17828846 . 8.13840138 . 125.8849308 . 176.5890396 . A 85 LEU H A 85 LEU N A 84 VAL C 1 . . . 1 13 23 . . 7729586.5 . 7.971825567 . 125.9045222 . 174.5147692 . A 97 ALA H A 97 ALA N A 96 SER C 1 . . . 1 14 24 . . 9144973 . 8.183968841 . 125.7819103 . 175.7467616 . A 144 ALA H A 144 ALA N A 143 ARG C 1 . . . 1 17 28 . . 3225882.75 . 9.024861276 . 125.2285511 . 175.1021821 . A 11 TYR H A 11 TYR N A 10 GLN C 1 . . . 1 19 32 . . 9505430 . 8.115376464 . 125.2123756 . 175.8899793 . A 139 ALA H A 139 ALA N A 138 GLN C 1 . . . 1 20 33 . . 4821314 . 9.282896027 . 125.0557198 . 175.9704386 . A 28 ALA H A 28 ALA N A 27 GLU C 1 . . . 1 21 34 . . 4740144 . 8.184761406 . 124.8741199 . 177.5453483 . A 86 ALA H A 86 ALA N A 85 LEU C 1 . . . 1 22 40 . . -688844.6438 . 8.031551889 . 124.643279 . 175.8218775 . A 132 VAL H A 132 VAL N A 132 VAL C 1 . . . 1 23 41 . . 26851109.97 . 8.031551889 . 124.643279 . 176.2857064 . A 132 VAL H A 132 VAL N A 131 ILE C 1 . . . 1 24 42 . . 23245758 . 8.038739808 . 124.9032769 . 176.6608655 . A 94 ALA H A 94 ALA N A 93 MET C 1 . . . 1 25 44 . . 58434728 . 8.138590449 . 124.6000359 . 174.2553574 . A 148 LEU H A 148 LEU N A 147 SER C 1 . . . 1 26 45 . . 7613603.5 . 8.008654653 . 124.3532496 . 173.3843689 . A 21 LYS H A 21 LYS N A 20 LEU C 1 . . . 1 27 47 . . 17034506 . 8.095297383 . 120.9687638 . 176.7790567 . A 93 MET H A 93 MET N A 92 GLN C 1 . . . 1 28 48 . . 16423.95077 . 7.729390339 . 124.2676312 . 174.8691232 . A 58 LYS H A 58 LYS N A 58 LYS C 1 . . . 1 29 49 . . 5983558.699 . 7.729390339 . 124.2676312 . 175.156602 . A 58 LYS H A 58 LYS N A 57 THR C 1 . . . 1 30 50 . . 6167641.574 . 7.826273178 . 124.2001602 . 171.2318258 . A 27 GLU H A 27 GLU N A 26 THR C 1 . . . 1 31 51 . . 4039.050271 . 7.824132484 . 124.2001602 . 175.9467257 . A 27 GLU H A 27 GLU N A 27 GLU C 1 . . . 1 32 52 . . 3549608.823 . 8.201079873 . 124.071 . 173.238096 . A 63 THR H A 63 THR N A 62 VAL C 1 . . . 1 35 55 . . 17595846.47 . 8.095100941 . 124.246825 . 174.3363437 . A 114 ILE H A 114 ILE N A 113 THR C 1 . . . 1 36 56 . . 79420.97803 . 8.095100941 . 124.246825 . 175.9853234 . A 114 ILE H A 114 ILE N A 114 ILE C 1 . . . 1 37 57 . . 64149.54122 . 8.079981853 . 123.7771382 . 173.2261738 . A 62 VAL H A 62 VAL N A 62 VAL C 1 . . . 1 38 58 . . 3946506.56 . 8.079981853 . 123.7771382 . 172.586534 . A 62 VAL H A 62 VAL N A 61 THR C 1 . . . 1 39 64 . . 5514622 . 8.16014643 . 123.5953407 . 174.7210188 . A 137 ARG H A 137 ARG N A 136 THR C 1 . . . 1 40 66 . . 5176445 . 8.983416837 . 123.3964935 . 178.2877265 . A 39 LYS H A 39 LYS N A 38 PHE C 1 . . . 1 41 72 . . 9270998 . 8.120241984 . 123.270635 . 175.5159714 . A 142 LYS H A 142 LYS N A 141 GLN C 1 . . . 1 42 75 . . 11297691 . 8.046090352 . 123.3547205 . 178.0544689 . A 95 ALA H A 95 ALA N A 94 ALA C 1 . . . 1 44 77 . . 3437983.876 . 8.98243767 . 123.171 . 174.7803486 . A 12 LYS H A 12 LYS N A 11 TYR C 1 . . . 1 45 79 . . 48865.56592 . 8.3331587 . 123.163 . 174.9701479 . A 133 ASN H A 133 ASN N A 133 ASN C 1 . . . 1 47 83 . . 26549256 . 8.498039081 . 122.8860491 . 174.7736124 . A 71 GLU H A 71 GLU N A 70 SER C 1 . . . 1 48 87 . . 17834556 . 8.157610168 . 123.003217 . 177.2342548 . A 124 LYS H A 124 LYS N A 123 LEU C 1 . . . 1 49 89 . . 192096.8219 . 8.097727055 . 122.913 . 175.7111043 . A 106 VAL H A 106 VAL N A 106 VAL C 1 . . . 1 50 90 . . 28801100.88 . 8.099928154 . 122.913 . 175.9827827 . A 106 VAL H A 106 VAL N A 105 ARG C 1 . . . 1 51 91 . . 5743011.5 . 8.304165474 . 122.8285091 . 176.0054793 . A 9 LYS H A 9 LYS N A 8 MET C 1 . . . 1 52 92 . . 29272688 . 7.942822392 . 122.5683765 . 175.1132315 . A 73 LEU H A 73 LEU N A 72 ASN C 1 . . . 1 54 94 . . 6099643 . 8.063259259 . 122.4011786 . 175.3850506 . A 92 GLN H A 92 GLN N A 91 SER C 1 . . . 1 55 96 . . 83774.24263 . 8.164073478 . 122.285 . 174.0455389 . A 101 ARG H A 101 ARG N A 101 ARG C 1 . . . 1 56 97 . . 28248504.89 . 8.164073478 . 122.285 . 177.1899656 . A 101 ARG H A 101 ARG N A 100 ALA C 1 . . . 1 57 98 . . 12027315 . 8.005024791 . 122.2795717 . 175.7448293 . A 141 GLN H A 141 GLN N A 140 PHE C 1 . . . 1 61 104 . . 7205738 . 9.129887318 . 121.7631888 . 173.3401696 . A 18 LYS H A 18 LYS N A 17 GLY C 1 . . . 1 62 105 . . 8098875 . 8.187286283 . 121.7990507 . 176.466409 . A 138 GLN H A 138 GLN N A 137 ARG C 1 . . . 1 63 106 . . 16088551 . 7.940335266 . 121.7261456 . 175.6982861 . A 75 PHE H A 75 PHE N A 74 TYR C 1 . . . 1 64 108 . . 141004.6975 . 7.996201723 . 121.477 . 173.630573 . A 47 VAL H A 47 VAL N A 47 VAL C 1 . . . 1 65 109 . . 7232249.229 . 7.992999066 . 121.477 . 174.1243644 . A 47 VAL H A 47 VAL N A 46 GLY C 1 . . . 1 66 111 . . 55281176 . 7.807086372 . 121.2960686 . 176.5108528 . A 99 VAL H A 99 VAL N A 98 LYS C 1 . . . 1 67 112 . . 2860435.178 . 8.465805687 . 121.2778559 . 172.7393063 . A 53 TYR H A 53 TYR N A 52 THR C 1 . . . 1 68 113 . . -64769.59183 . 8.465805687 . 121.2778559 . 173.1042414 . A 53 TYR H A 53 TYR N A 53 TYR C 1 . . . 1 69 114 . . 12110.08822 . 8.322960914 . 121.293 . 178.2714716 . A 38 PHE H A 38 PHE N A 38 PHE C 1 . . . 1 70 115 . . 4126833.86 . 8.322834816 . 121.293 . 179.7251938 . A 38 PHE H A 38 PHE N A 37 VAL C 1 . . . 1 71 116 . . 16990008 . 8.158027025 . 121.2689759 . 177.6489581 . A 121 GLN H A 121 GLN N A 120 LEU C 1 . . . 1 72 117 . . 12816415 . 7.920874757 . 120.9886585 . 179.165067 . A 32 ALA H A 32 ALA N A 31 ALA C 1 . . . 1 73 118 . . 10012309 . 8.248222956 . 120.9792722 . 177.4365419 . A 108 GLN H A 108 GLN N A 107 ALA C 1 . . . 1 74 119 . . 60671.76025 . 8.247814092 . 121.036 . 175.9512858 . A 108 GLN H A 108 GLN N A 108 GLN C 1 . . . 1 75 120 . . 15994174 . 8.202253777 . 120.6681043 . 178.1182759 . A 56 ALA H A 56 ALA N A 55 ASP C 1 . . . 1 77 123 . . 28153.45189 . 8.286745742 . 120.153 . 175.9861085 . A 8 MET H A 8 MET N A 8 MET C 1 . . . 1 78 124 . . 19245434 . 7.935940921 . 120.0593463 . 177.0840718 . A 74 TYR H A 74 TYR N A 73 LEU C 1 . . . 1 79 125 . . 379054.5647 . 8.00221688 . 119.948 . 175.7187152 . A 145 TYR H A 145 TYR N A 145 TYR C 1 . . . 1 80 126 . . 9857734 . 7.93539958 . 119.5470908 . 173.9950614 . A 10 GLN H A 10 GLN N A 9 LYS C 1 . . . 1 81 127 . . 17067270 . 8.217024765 . 119.4878531 . 176.2785106 . A 72 ASN H A 72 ASN N A 71 GLU C 1 . . . 1 82 128 . . 9041538 . 8.274294307 . 119.3331085 . 171.2481813 . A 23 GLU H A 23 GLU N A 22 GLY C 1 . . . 1 83 129 . . 27339126 . 7.965828952 . 119.3774924 . 177.6248842 . A 140 PHE H A 140 PHE N A 139 ALA C 1 . . . 1 84 130 . . 5179270.884 . 8.178481871 . 118.3447612 . 179.3112631 . A 43 ASN H A 43 ASN N A 42 ALA C 1 . . . 1 85 131 . . 4323587 . 8.939436716 . 117.4438605 . 174.5800848 . A 61 THR H A 61 THR N A 60 PHE C 1 . . . 1 86 133 . . 4786463.5 . 8.241332235 . 117.3109928 . 177.1056458 . A 35 GLU H A 35 GLU N A 34 ALA C 1 . . . 1 87 134 . . 5530082.146 . 8.125905478 . 116.988 . 180.8152856 . A 33 THR H A 33 THR N A 32 ALA C 1 . . . 1 88 135 . . -23365.8326 . 8.123517185 . 116.988 . 176.0819947 . A 33 THR H A 33 THR N A 33 THR C 1 . . . 1 89 136 . . 3604127.02 . 8.656449974 . 116.7377219 . 175.2389784 . A 24 THR H A 24 THR N A 23 GLU C 1 . . . 1 90 137 . . -41697.92101 . 8.656449974 . 116.7377219 . 172.0158416 . A 24 THR H A 24 THR N A 24 THR C 1 . . . 1 91 138 . . 5040337.5 . 7.911478107 . 116.7950508 . 175.1403641 . A 136 THR H A 136 THR N A 135 THR C 1 . . . 1 92 140 . . 6512490 . 8.128056973 . 116.2812021 . 174.537213 . A 70 SER H A 70 SER N A 69 GLY C 1 . . . 1 93 141 . . 5298366.5 . 7.974838633 . 115.8914109 . 176.1969034 . A 122 THR H A 122 THR N A 121 GLN C 1 . . . 1 94 144 . . 6394798.5 . 8.630420988 . 115.6174929 . 177.5379307 . A 29 VAL H A 29 VAL N A 28 ALA C 1 . . . 1 95 145 . . 4133897.031 . 8.846204977 . 115.49 . 173.9936497 . A 26 THR H A 26 THR N A 25 THR C 1 . . . 1 96 146 . . -41125.14927 . 8.8456106 . 115.49 . 171.2224706 . A 26 THR H A 26 THR N A 26 THR C 1 . . . 1 97 147 . . 5677607 . 9.120173094 . 114.8962285 . 176.9595357 . A 52 THR H A 52 THR N A 51 TRP C 1 . . . 1 98 148 . . 8700427 . 7.980637667 . 114.714375 . 178.3687906 . A 96 SER H A 96 SER N A 95 ALA C 1 . . . 1 99 150 . . 5339220.5 . 8.026108896 . 114.5936917 . 178.9437537 . A 87 SER H A 87 SER N A 86 ALA C 1 . . . 1 100 151 . . 8155201.5 . 8.675304812 . 113.3477683 . 176.1270805 . A 65 GLY H A 65 GLY N A 64 GLU C 1 . . . 1 101 152 . . 7068393 . 8.077979405 . 113.2330022 . 178.2229008 . A 135 THR H A 135 THR N A 134 ALA C 1 . . . 1 102 153 . . 106493.624 . 7.986583667 . 112.8212417 . 173.9870535 . A 25 THR H A 25 THR N A 25 THR C 1 . . . 1 103 154 . . 3772918.258 . 7.986583667 . 112.8212417 . 172.0158506 . A 25 THR H A 25 THR N A 24 THR C 1 . . . 1 105 156 . . 6531781 . 7.797528574 . 110.6096068 . 175.4057333 . A 17 GLY H A 17 GLY N A 16 ASN C 1 . . . 1 106 157 . . 6109492.5 . 8.274710833 . 110.0839884 . 176.2452959 . A 22 GLY H A 22 GLY N A 21 LYS C 1 . . . 1 107 158 . . 5711872.5 . 8.704437814 . 109.3541672 . 178.7183808 . A 19 THR H A 19 THR N A 18 LYS C 1 . . . 1 108 159 . . 111302.9725 . 7.84807788 . 108.225 . 171.7194345 . A 49 GLY H A 49 GLY N A 49 GLY C 1 . . . 1 109 160 . . 10757068.88 . 7.847995101 . 108.225 . 174.5796637 . A 49 GLY H A 49 GLY N A 48 ASP C 1 . . . 1 110 161 . . 5999077 . 7.744563557 . 109.2770866 . 176.2021474 . A 77 GLY H A 77 GLY N A 76 GLN C 1 . . . 1 111 162 . . 4201838.741 . 7.658534382 . 108.8381797 . 173.9308496 . A 46 GLY H A 46 GLY N A 45 ASN C 1 . . . 1 112 163 . . 530104.5091 . 7.66038246 . 108.8381797 . 174.1008728 . A 46 GLY H A 46 GLY N A 46 GLY C 1 . . . 1 113 164 . . 6099475.21 . 6.875077677 . 124.277 . 176.1179098 . A 34 ALA H A 34 ALA N A 33 THR C 1 . . . 1 114 165 . . 11855.31009 . 6.874449105 . 124.277 . 177.0733398 . A 34 ALA H A 34 ALA N A 34 ALA C 1 . . . 1 115 166 . . 5392293.854 . 7.133947405 . 121.177 . 179.9654461 . A 37 VAL H A 37 VAL N A 36 LYS C 1 . . . 1 116 167 . . -220037.9793 . 7.132949443 . 121.177 . 179.6940004 . A 37 VAL H A 37 VAL N A 37 VAL C 1 . . . 1 117 168 . . 94732.0414 . 7.311636466 . 120.288 . 177.004034 . A 40 GLN H A 40 GLN N A 40 GLN C 1 . . . 1 118 169 . . 6044042.15 . 7.312318081 . 120.288 . 179.4759859 . A 40 GLN H A 40 GLN N A 39 LYS C 1 . . . 1 119 170 . . 5517182.417 . 6.805583592 . 117.306 . 177.2954648 . A 36 LYS H A 36 LYS N A 35 GLU C 1 . . . 1 120 171 . . -42841.19585 . 6.805441097 . 117.306 . 179.9320985 . A 36 LYS H A 36 LYS N A 36 LYS C 1 . . . 1 121 172 . . 18878.86765 . 7.219205701 . 115.7 . 174.5359921 . A 30 ASP H A 30 ASP N A 30 ASP C 1 . . . 1 122 173 . . 9256654.318 . 7.219205701 . 115.7 . 175.049347 . A 30 ASP H A 30 ASP N A 29 VAL C 1 . . . 1 123 174 . . -25074.55956 . 7.26535329 . 115.9593014 . 173.9184417 . A 45 ASN H A 45 ASN N A 45 ASN C 1 . . . 1 124 175 . . 2951533.661 . 7.26535329 . 115.9593014 . 177.032083 . A 45 ASN H A 45 ASN N A 44 ASP C 1 . . . 1 125 176 . . 4142332.312 . 7.486023992 . 129.102 . 173.1109434 . A 54 ASP H A 54 ASP N A 53 TYR C 1 . . . 1 126 177 . . 20308.00309 . 7.486023992 . 129.102 . 174.5170831 . A 54 ASP H A 54 ASP N A 54 ASP C 1 . . . 1 127 178 . . 9667279 . 7.199154484 . 125.5629908 . 173.8042335 . A 20 LEU H A 20 LEU N A 19 THR C 1 . . . 1 128 179 . . 6546689.283 . 6.863314241 . 103.988 . 179.8258989 . A 57 THR H A 57 THR N A 56 ALA C 1 . . . 1 129 180 . . 71340.15846 . 6.863314241 . 103.988 . 175.1383239 . A 57 THR H A 57 THR N A 57 THR C 1 . . . 1 130 181 . . 2265243.023 . 8.21425747 . 122.956 . 176.3478509 . A 143 ARG H A 143 ARG N A 142 LYS C 1 . . . 1 131 182 . . -7034.698144 . 8.21425747 . 122.956 . 175.717822 . A 143 ARG H A 143 ARG N A 143 ARG C 1 . . . 1 132 183 . . 61438671.77 . 7.984154671 . 120.605 . 177.6918748 . A 98 LYS H A 98 LYS N A 97 ALA C 1 . . . 1 133 189 . . 8722061.931 . 8.116791148 . 124.3588873 . 177.9584715 . A 90 ALA H A 90 ALA N A 89 LEU C 1 . . . 1 134 190 . . -31052.18362 . 8.116791148 . 124.3588873 . 178.5817494 . A 90 ALA H A 90 ALA N A 90 ALA C 1 . . . 1 135 191 . . 9866644 . 8.409321182 . 125.6058833 . 176.0074934 . A 115 GLN H A 115 GLN N A 114 ILE C 1 . . . 1 136 192 . . 230352.0534 . 8.037627176 . 125.1042978 . 177.2270889 . A 123 LEU H A 123 LEU N A 123 LEU C 1 . . . 1 137 193 . . 20767335.22 . 8.037627176 . 125.1042978 . 174.4960408 . A 123 LEU H A 123 LEU N A 122 THR C 1 . . . 1 138 195 . . -45604.20205 . 8.117033903 . 121.862 . 179.1506343 . A 31 ALA H A 31 ALA N A 31 ALA C 1 . . . 1 139 196 . . 5264566.547 . 8.117033903 . 121.862 . 174.534399 . A 31 ALA H A 31 ALA N A 30 ASP C 1 . . . 1 140 199 . . 2339714 . 8.069568208 . 115.1529719 . 178.5817494 . A 91 SER H A 91 SER N A 90 ALA C 1 . . . 1 141 204 . . 25364532 . 8.108139881 . 122.3267108 . 175.9453469 . A 109 VAL H A 109 VAL N A 108 GLN C 1 . . . 1 142 205 . . 7683129 . 7.25611136 . 111.7437528 . 174.8907859 . A 59 THR H A 59 THR N A 58 LYS C 1 . . . 1 143 206 . . 1809952.125 . 8.008057546 . 117.7249729 . 175.723882 . A 146 SER H A 146 SER N A 145 TYR C 1 . . . 1 144 207 . . 3488553.93 . 8.105953172 . 121.5161273 . 177.0169426 . A 41 TYR H A 41 TYR N A 40 GLN C 1 . . . 1 145 208 . . 6052344 . 8.8150824 . 122.1627813 . 179.3433768 . A 44 ASP H A 44 ASP N A 43 ASN C 1 . . . 1 146 209 . . 3954668.367 . 9.20309955 . 128.8861811 . 176.894891 . A 51 TRP H A 51 TRP N A 50 GLU C 1 . . . 1 147 210 . . 47518133.41 . 7.975337476 . 120.4066983 . 177.6951977 . A 104 VAL H A 104 VAL N A 103 ALA C 1 . . . 1 149 212 . . 1535630.229 . 8.136141599 . 116.4518837 . 175.9659683 . A 116 THR H A 116 THR N A 115 GLN C 1 . . . 1 150 213 . . 2033677 . 8.310216232 . 111.7551047 . 174.9493726 . A 117 GLY H A 117 GLY N A 116 THR C 1 . . . 1 151 214 . . 3234471 . 8.210435344 . 124.9950702 . 175.0079593 . A 134 ALA H A 134 ALA N A 133 ASN C 1 . . . 1 152 215 . . 1183998.154 . 8.160399308 . 118.4398693 . 174.1294689 . A 147 SER H A 147 SER N A 146 SER C 1 . . . 1 ; 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 . aliased 4.1321 ppm . . . . . . 51093 2 2 . . N 15 N . aliased 36.0032 ppm . . . . . . 51093 2 3 . . C 13 CA/CB . aliased 69.9394 ppm . . . . . . 51093 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 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 51093 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name PL_HNCO_GB1_pSu9(1-69) _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 3 _Spectral_peak_list.Experiment_name '3D HN(CA)CO' _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 859985.3125 . 7.991926345 . 129.4686708 . 176.1058956 . A 64 GLU H A 64 GLU N A 64 GLU C 1 . . . 1 2 2 . . 913220.25 . 9.206162509 . 128.8658276 . 176.9332403 . A 51 TRP H A 51 TRP N A 51 TRP C 1 . . . 1 3 58 . . -841633.625 . 8.220976031 . 128.7797575 . 177.4437686 . A 100 ALA H A 100 ALA N . . . . 1 . . . 1 4 59 . . 9911055 . 8.222385501 . 128.8297402 . 177.1706158 . A 100 ALA H A 100 ALA N A 100 ALA C 1 . . . 1 5 60 . . 4336294.5 . 8.221850941 . 128.8338197 . 175.5717535 . A 100 ALA H A 100 ALA N A 99 VAL C 1 . . . 1 6 62 . . 8466854 . 8.288958695 . 128.7141827 . 177.4195322 . A 107 ALA H A 107 ALA N A 107 ALA C 1 . . . 1 7 63 . . 3416101 . 8.28760784 . 128.741441 . 175.711 . A 107 ALA H A 107 ALA N A 106 VAL C 1 . . . 1 8 64 . . 652913.5 . 8.334538923 . 127.9363785 . 174.5786872 . A 48 ASP H A 48 ASP N A 48 ASP C 1 . . . 1 9 65 . . 498773.875 . 8.335148774 . 127.9695867 . 173.6467441 . A 48 ASP H A 48 ASP N A 47 VAL C 1 . . . 1 10 67 . . 221910.2174 . 8.93995762 . 126.842 . 174.5253414 . A 14 ILE H A 14 ILE N A 13 LEU C 1 . . . 1 11 68 . . 331467.2903 . 8.937647523 . 126.842 . 174.6140491 . A 14 ILE H A 14 ILE N A 14 ILE C 1 . . . 1 12 71 . . 282423.1236 . 8.592905702 . 126.5044558 . 174.7348406 . A 15 LEU H A 15 LEU N A 15 LEU C 1 . . . 1 13 72 . . 206236.6688 . 8.586166104 . 126.5044558 . 174.6528871 . A 15 LEU H A 15 LEU N A 14 ILE C 1 . . . 1 14 80 . . 26805724 . 7.69438712 . 126.4265521 . 180.953792 . A 149 GLU H A 149 GLU N A 149 GLU C 1 . . . 1 15 81 . . 7204499 . 7.694549954 . 126.4280287 . 176.405126 . A 149 GLU H A 149 GLU N A 148 LEU C 1 . . . 1 16 87 . . 650647.0625 . 8.702968008 . 126.1212703 . 175.3712635 . A 16 ASN H A 16 ASN N A 16 ASN C 1 . . . 1 17 88 . . 306887.5938 . 8.703788761 . 126.0498249 . 174.8714167 . A 16 ASN H A 16 ASN N A 15 LEU C 1 . . . 1 18 104 . . 6054356 . 8.294031481 . 126.1395555 . 175.9529697 . A 105 ARG H A 105 ARG N A 105 ARG C 1 . . . 1 19 108 . . 2666808.75 . 8.13779531 . 125.8995993 . 177.5186742 . A 85 LEU H A 85 LEU N A 85 LEU C 1 . . . 1 20 109 . . 1467866.375 . 8.136893774 . 125.9073142 . 176.5824546 . A 85 LEU H A 85 LEU N A 84 VAL C 1 . . . 1 21 110 . . 2338363.5 . 7.971232104 . 125.9191408 . 177.6771745 . A 97 ALA H A 97 ALA N A 97 ALA C 1 . . . 1 22 111 . . 2472901 . 8.182916668 . 125.80635 . 177.2451264 . A 144 ALA H A 144 ALA N A 144 ALA C 1 . . . 1 23 112 . . 966781.1875 . 8.182626039 . 125.7914278 . 175.7302013 . A 144 ALA H A 144 ALA N A 143 ARG C 1 . . . 1 24 113 . . 655618.6875 . 8.416064496 . 125.4964159 . 178.0911158 . A 55 ASP H A 55 ASP N A 55 ASP C 1 . . . 1 26 118 . . 1306080.75 . 8.196180369 . 125.4345858 . 177.9616673 . A 80 ALA H A 80 ALA N A 80 ALA C 1 . . . 1 27 121 . . 270001.0625 . 9.028305828 . 125.255214 . 175.0943889 . A 11 TYR H A 11 TYR N A 10 GLN C 1 . . . 1 28 122 . . 241676.125 . 9.023924033 . 125.2112467 . 174.7746713 . A 11 TYR H A 11 TYR N A 11 TYR C 1 . . . 1 29 123 . . 129560.2266 . 9.026450235 . 125.1416902 . 169.8714618 . A 11 TYR H A 11 TYR N . . . . 1 . . . 1 30 168 . . 9278011 . 8.28375682 . 125.2216135 . 177.6771631 . A 103 ALA H A 103 ALA N A 103 ALA C 1 . . . 1 32 171 . . 2772202.25 . 8.115376464 . 125.2123756 . 177.5882695 . A 139 ALA H A 139 ALA N A 139 ALA C 1 . . . 1 33 172 . . 1144372.125 . 8.115376464 . 125.2123756 . 175.8852604 . A 139 ALA H A 139 ALA N A 138 GLN C 1 . . . 1 34 174 . . 785297.625 . 9.282727204 . 125.0806635 . 177.5109208 . A 28 ALA H A 28 ALA N A 28 ALA C 1 . . . 1 35 175 . . 262877.6875 . 9.286865338 . 125.0930601 . 175.9649789 . A 28 ALA H A 28 ALA N A 27 GLU C 1 . . . 1 36 176 . . 1024608.562 . 8.184761406 . 124.8741199 . 178.9437537 . A 86 ALA H A 86 ALA N A 86 ALA C 1 . . . 1 37 177 . . 285947.4375 . 8.184761406 . 124.8741199 . 177.5229484 . A 86 ALA H A 86 ALA N A 85 LEU C 1 . . . 1 38 196 . . 6654855.526 . 8.031551889 . 124.643279 . 175.8214197 . A 132 VAL H A 132 VAL N A 132 VAL C 1 . . . 1 39 197 . . 927501.636 . 8.031551889 . 124.643279 . 176.2852487 . A 132 VAL H A 132 VAL N A 131 ILE C 1 . . . 1 40 198 . . 6906593.5 . 8.038006805 . 124.8754343 . 178.0534914 . A 94 ALA H A 94 ALA N A 94 ALA C 1 . . . 1 42 201 . . 12751092 . 8.138073616 . 124.5969997 . 176.401384 . A 148 LEU H A 148 LEU N A 148 LEU C 1 . . . 1 44 203 . . 1082469.75 . 8.009450047 . 124.3497725 . 176.2305546 . A 21 LYS H A 21 LYS N A 21 LYS C 1 . . . 1 45 204 . . 371816.875 . 8.007248802 . 124.3539883 . 173.3716214 . A 21 LYS H A 21 LYS N A 20 LEU C 1 . . . 1 46 213 . . 5043390.5 . 8.094363179 . 120.9702731 . 176.6694987 . A 93 MET H A 93 MET N . . . . 1 . . . 1 47 214 . . 904015.1387 . 7.729390339 . 124.2676312 . 174.8686655 . A 58 LYS H A 58 LYS N A 58 LYS C 1 . . . 1 48 215 . . 52052.7975 . 7.729390339 . 124.2676312 . 175.1561442 . A 58 LYS H A 58 LYS N A 57 THR C 1 . . . 1 49 216 . . 201220.8402 . 7.826273178 . 124.2001602 . 171.231368 . A 27 GLU H A 27 GLU N A 26 THR C 1 . . . 1 50 217 . . 953520.0094 . 7.824132484 . 124.2001602 . 175.9462679 . A 27 GLU H A 27 GLU N A 27 GLU C 1 . . . 1 51 218 . . 213791.6752 . 8.201079873 . 124.071 . 173.2376383 . A 63 THR H A 63 THR N A 62 VAL C 1 . . . 1 52 219 . . 302488.0811 . 8.198459518 . 124.071 . 174.4255328 . A 63 THR H A 63 THR N A 63 THR C 1 . . . 1 53 220 . . 6266454 . 8.052119511 . 123.5323329 . 176.309738 . A 131 ILE H A 131 ILE N A 131 ILE C 1 . . . 1 54 223 . . 900848.0655 . 8.095100941 . 124.246825 . 174.3358859 . A 114 ILE H A 114 ILE N A 113 THR C 1 . . . 1 55 224 . . 3900515.693 . 8.095100941 . 124.246825 . 175.9848656 . A 114 ILE H A 114 ILE N A 114 ILE C 1 . . . 1 56 225 . . 406907.803 . 8.079981853 . 123.7771382 . 173.2257161 . A 62 VAL H A 62 VAL N A 62 VAL C 1 . . . 1 57 226 . . 185737.1913 . 8.079981853 . 123.7771382 . 172.5860763 . A 62 VAL H A 62 VAL N A 61 THR C 1 . . . 1 58 241 . . 1696550 . 8.153966644 . 123.6701493 . 176.4340037 . A 137 ARG H A 137 ARG N A 137 ARG C 1 . . . 1 59 243 . . 512243.5 . 8.984621819 . 123.4168102 . 179.4609531 . A 39 LYS H A 39 LYS N A 39 LYS C 1 . . . 1 60 251 . . 759054.6875 . 9.044243204 . 123.2774443 . 179.2697575 . A 42 ALA H A 42 ALA N A 42 ALA C 1 . . . 1 61 252 . . 302634 . 9.045565409 . 123.220018 . 178.9370993 . A 42 ALA H A 42 ALA N A 41 TYR C 1 . . . 1 62 268 . . 2645410 . 8.118115497 . 123.2351688 . 176.402699 . A 142 LYS H A 142 LYS N A 142 LYS C 1 . . . 1 63 271 . . 4784848 . 8.046147994 . 123.1835158 . 178.3515337 . A 95 ALA H A 95 ALA N A 95 ALA C 1 . . . 1 64 275 . . 490749.7249 . 8.982070748 . 123.171 . 172.7905523 . A 12 LYS H A 12 LYS N A 12 LYS C 1 . . . 1 65 276 . . 145055.9389 . 8.98243767 . 123.171 . 174.7798908 . A 12 LYS H A 12 LYS N A 11 TYR C 1 . . . 1 66 280 . . 1229359.378 . 8.3331587 . 123.163 . 174.9696901 . A 133 ASN H A 133 ASN N A 133 ASN C 1 . . . 1 68 301 . . 7102972 . 8.495184283 . 122.9297609 . 176.2595788 . A 71 GLU H A 71 GLU N A 71 GLU C 1 . . . 1 69 302 . . 980073 . 8.493039081 . 122.8830491 . 174.7737775 . A 71 GLU H A 71 GLU N A 70 SER C 1 . . . 1 70 309 . . 1257038.25 . 8.156998728 . 122.9513194 . 177.2379497 . A 124 LYS H A 124 LYS N A 123 LEU C 1 . . . 1 71 310 . . 5056663.5 . 8.15881349 . 122.9156833 . 176.6201392 . A 124 LYS H A 124 LYS N A 124 LYS C 1 . . . 1 72 313 . . 6914113.507 . 8.097727055 . 122.913 . 175.7106465 . A 106 VAL H A 106 VAL N A 106 VAL C 1 . . . 1 73 314 . . 3237502.362 . 8.099928154 . 122.913 . 175.982325 . A 106 VAL H A 106 VAL N A 105 ARG C 1 . . . 1 74 315 . . 459378.4062 . 8.304165474 . 122.8285091 . 175.9908617 . A 9 LYS H A 9 LYS N A 8 MET C 1 . . . 1 75 316 . . 886216.5625 . 8.304165474 . 122.8285091 . 173.9810117 . A 9 LYS H A 9 LYS N A 9 LYS C 1 . . . 1 76 317 . . 4646773.5 . 7.942107383 . 122.5526405 . 177.0587782 . A 73 LEU H A 73 LEU N A 73 LEU C 1 . . . 1 77 319 . . 3413419.5 . 7.941374402 . 122.5563281 . 175.1061979 . A 73 LEU H A 73 LEU N A 72 ASN C 1 . . . 1 78 320 . . 3377770.5 . 7.996833448 . 122.4616546 . 177.9272367 . A 89 LEU H A 89 LEU N A 89 LEU C 1 . . . 1 80 323 . . 1301076.375 . 8.063259259 . 122.4011786 . 176.7499286 . A 92 GLN H A 92 GLN N A 92 GLN C 1 . . . 1 81 331 . . 8088446.115 . 8.164073478 . 122.285 . 174.0450811 . A 101 ARG H A 101 ARG N A 101 ARG C 1 . . . 1 82 332 . . 4109358.85 . 8.164073478 . 122.285 . 177.1895078 . A 101 ARG H A 101 ARG N A 100 ALA C 1 . . . 1 83 333 . . 3112734.5 . 8.004178099 . 122.2760169 . 175.4991837 . A 141 GLN H A 141 GLN N A 141 GLN C 1 . . . 1 84 334 . . 789424.875 . 8.8150824 . 122.1627813 . 177.035364 . A 44 ASP H A 44 ASP N A 44 ASP C 1 . . . 1 85 343 . . 10060371 . 8.111644792 . 121.9825501 . 177.6269742 . A 120 LEU H A 120 LEU N A 120 LEU C 1 . . . 1 87 345 . . 8409954 . 7.927734399 . 122.0809039 . 176.5658357 . A 84 VAL H A 84 VAL N A 84 VAL C 1 . . . 1 88 348 . . 777835.1875 . 9.130984678 . 121.7766237 . 178.6961623 . A 18 LYS H A 18 LYS N A 18 LYS C 1 . . . 1 89 349 . . 900132.375 . 8.186916114 . 121.8274685 . 176.4444219 . A 138 GLN H A 138 GLN N A 137 ARG C 1 . . . 1 90 350 . . 2444551.25 . 8.18725792 . 121.8221239 . 175.8691183 . A 138 GLN H A 138 GLN N A 138 GLN C 1 . . . 1 91 355 . . 4273602 . 7.938536823 . 121.7145157 . 175.5527524 . A 75 PHE H A 75 PHE N A 75 PHE C 1 . . . 1 92 384 . . 855156.8069 . 7.996201723 . 121.477 . 173.6301152 . A 47 VAL H A 47 VAL N A 47 VAL C 1 . . . 1 93 385 . . 126566.1783 . 7.992999066 . 121.477 . 174.1239067 . A 47 VAL H A 47 VAL N A 46 GLY C 1 . . . 1 94 394 . . 7213166.5 . 7.807086372 . 121.2960686 . 176.4907579 . A 99 VAL H A 99 VAL N A 98 LYS C 1 . . . 1 95 396 . . 17067212 . 7.807086372 . 121.2960686 . 175.5693188 . A 99 VAL H A 99 VAL N A 99 VAL C 1 . . . 1 96 397 . . 159833.0488 . 8.465805687 . 121.2778559 . 172.7388485 . A 53 TYR H A 53 TYR N A 52 THR C 1 . . . 1 97 398 . . 288618.9785 . 8.465805687 . 121.2778559 . 173.1037837 . A 53 TYR H A 53 TYR N A 53 TYR C 1 . . . 1 98 401 . . 556597.0141 . 8.322960914 . 121.293 . 178.2710138 . A 38 PHE H A 38 PHE N A 38 PHE C 1 . . . 1 99 402 . . 111021.7754 . 8.322834816 . 121.293 . 179.724736 . A 38 PHE H A 38 PHE N A 37 VAL C 1 . . . 1 100 403 . . 1218385.625 . 8.158027025 . 121.2689759 . 177.632551 . A 121 GLN H A 121 GLN N A 120 LEU C 1 . . . 1 101 407 . . 4134756.75 . 8.158027025 . 121.2689759 . 176.1805772 . A 121 GLN H A 121 GLN N A 121 GLN C 1 . . . 1 102 408 . . 318160.5 . 8.158027025 . 121.2689759 . 174.0129063 . A 121 GLN H A 121 GLN N . . . . 1 . . . 1 103 409 . . 1546011.625 . 7.920242954 . 121.0106942 . 180.797399 . A 32 ALA H A 32 ALA N A 32 ALA C 1 . . . 1 104 410 . . 572688.125 . 7.917755729 . 120.9795535 . 179.1355133 . A 32 ALA H A 32 ALA N A 31 ALA C 1 . . . 1 105 412 . . 2303606.898 . 8.247814092 . 121.036 . 175.950828 . A 108 GLN H A 108 GLN N A 108 GLN C 1 . . . 1 106 413 . . 1940246.75 . 8.202027392 . 120.6742119 . 179.7986565 . A 56 ALA H A 56 ALA N A 56 ALA C 1 . . . 1 107 414 . . 635778 . 8.201665591 . 120.6888944 . 178.0926288 . A 56 ALA H A 56 ALA N A 55 ASP C 1 . . . 1 109 419 . . 1741388.915 . 8.286745742 . 120.153 . 175.9856507 . A 8 MET H A 8 MET N A 8 MET C 1 . . . 1 110 420 . . 1170354.875 . 7.933707546 . 120.0968773 . 177.052111 . A 74 TYR H A 74 TYR N A 73 LEU C 1 . . . 1 111 421 . . 3816632 . 7.935175578 . 120.0774043 . 175.6792342 . A 74 TYR H A 74 TYR N A 74 TYR C 1 . . . 1 112 423 . . 2659555 . 8.002439174 . 119.9135237 . 177.2443547 . A 145 TYR H A 145 TYR N A 144 ALA C 1 . . . 1 113 424 . . 5586129.354 . 8.00221688 . 119.948 . 175.7182574 . A 145 TYR H A 145 TYR N A 145 TYR C 1 . . . 1 114 426 . . 990616.1875 . 7.935174113 . 119.5604098 . 175.0773029 . A 10 GLN H A 10 GLN N A 10 GLN C 1 . . . 1 115 427 . . 775123.375 . 7.934541953 . 119.525889 . 173.9908638 . A 10 GLN H A 10 GLN N A 9 LYS C 1 . . . 1 116 428 . . 1885587.25 . 8.216082123 . 119.488304 . 176.2646449 . A 72 ASN H A 72 ASN N A 71 GLU C 1 . . . 1 117 429 . . 4164027 . 8.216203983 . 119.4880757 . 175.0925286 . A 72 ASN H A 72 ASN N A 72 ASN C 1 . . . 1 118 430 . . 1290356.5 . 8.27403356 . 119.327551 . 175.2262955 . A 23 GLU H A 23 GLU N A 23 GLU C 1 . . . 1 119 431 . . 3610363 . 7.963463375 . 119.3804241 . 177.6024971 . A 140 PHE H A 140 PHE N A 139 ALA C 1 . . . 1 120 432 . . 9529859 . 7.964443123 . 119.3756963 . 175.7205107 . A 140 PHE H A 140 PHE N A 140 PHE C 1 . . . 1 121 433 . . 980298 . 8.178481871 . 118.3447612 . 179.3036863 . A 43 ASN H A 43 ASN N A 43 ASN C 1 . . . 1 122 434 . . 198497.1719 . 8.942762304 . 117.422707 . 174.5986966 . A 61 THR H A 61 THR N A 60 PHE C 1 . . . 1 123 435 . . 335425.6562 . 8.938587954 . 117.4184274 . 172.5689773 . A 61 THR H A 61 THR N A 61 THR C 1 . . . 1 124 436 . . 212984.3438 . 8.106197664 . 117.448736 . 173.6910316 . A 66 SER H A 66 SER N A 65 GLY C 1 . . . 1 125 437 . . 322640.5312 . 8.108094624 . 117.3909554 . 173.0599015 . A 66 SER H A 66 SER N A 66 SER C 1 . . . 1 126 438 . . 687710.6875 . 8.24093961 . 117.2972211 . 177.261452 . A 35 GLU H A 35 GLU N A 35 GLU C 1 . . . 1 127 439 . . 198961.0218 . 8.125905478 . 116.988 . 180.8148279 . A 33 THR H A 33 THR N A 32 ALA C 1 . . . 1 128 440 . . 214789.4569 . 8.123517185 . 116.988 . 176.0815369 . A 33 THR H A 33 THR N A 33 THR C 1 . . . 1 129 441 . . 246378.7231 . 8.656449974 . 116.7377219 . 175.2385207 . A 24 THR H A 24 THR N A 23 GLU C 1 . . . 1 130 442 . . 254500.1818 . 8.656449974 . 116.7377219 . 172.0153839 . A 24 THR H A 24 THR N A 24 THR C 1 . . . 1 131 444 . . 829839.8125 . 7.910516585 . 116.7885996 . 174.7105676 . A 136 THR H A 136 THR N A 136 THR C 1 . . . 1 132 445 . . 483316.0312 . 8.129226068 . 116.277943 . 174.7693728 . A 70 SER H A 70 SER N A 70 SER C 1 . . . 1 133 446 . . 522689.6562 . 7.974838633 . 115.8914109 . 176.1755004 . A 122 THR H A 122 THR N A 121 GLN C 1 . . . 1 134 447 . . 704137.625 . 7.974838633 . 115.8914109 . 174.5018129 . A 122 THR H A 122 THR N A 122 THR C 1 . . . 1 135 451 . . 520316.7188 . 8.628770961 . 115.5962194 . 177.5251895 . A 29 VAL H A 29 VAL N A 28 ALA C 1 . . . 1 136 452 . . 737222.25 . 8.628560564 . 115.5844671 . 175.0241621 . A 29 VAL H A 29 VAL N A 29 VAL C 1 . . . 1 137 453 . . 228377.1175 . 8.846204977 . 115.49 . 173.9931919 . A 26 THR H A 26 THR N A 25 THR C 1 . . . 1 138 454 . . 318375.6979 . 8.8456106 . 115.49 . 171.2220129 . A 26 THR H A 26 THR N A 26 THR C 1 . . . 1 139 455 . . 287056.1875 . 9.120490345 . 114.8693309 . 176.9359956 . A 52 THR H A 52 THR N A 51 TRP C 1 . . . 1 140 456 . . 671462.0625 . 9.119315955 . 114.8913532 . 172.7430846 . A 52 THR H A 52 THR N A 52 THR C 1 . . . 1 141 457 . . 835158.9375 . 7.979447265 . 114.6961675 . 178.3552615 . A 96 SER H A 96 SER N A 95 ALA C 1 . . . 1 142 458 . . 774950.625 . 7.980268604 . 114.687738 . 174.4962546 . A 96 SER H A 96 SER N A 96 SER C 1 . . . 1 143 461 . . 427615.25 . 8.026108896 . 114.5936917 . 178.9437537 . A 87 SER H A 87 SER N A 86 ALA C 1 . . . 1 144 462 . . 433370.9688 . 8.026108896 . 114.5936917 . 175.3584404 . A 87 SER H A 87 SER N A 87 SER C 1 . . . 1 145 463 . . 463545.8125 . 8.673287359 . 113.3048217 . 176.1269632 . A 65 GLY H A 65 GLY N A 64 GLU C 1 . . . 1 146 464 . . 1068133.375 . 8.674765177 . 113.3349413 . 173.7912307 . A 65 GLY H A 65 GLY N A 65 GLY C 1 . . . 1 147 465 . . 676951.125 . 8.075185724 . 113.1958573 . 178.2141785 . A 135 THR H A 135 THR N A 134 ALA C 1 . . . 1 148 466 . . 962162.4375 . 8.077253507 . 113.2171674 . 175.1206406 . A 135 THR H A 135 THR N A 135 THR C 1 . . . 1 149 467 . . 537683.279 . 7.986583667 . 112.8212417 . 173.9865957 . A 25 THR H A 25 THR N A 25 THR C 1 . . . 1 150 468 . . 74091.03254 . 7.986583667 . 112.8212417 . 172.0153928 . A 25 THR H A 25 THR N A 24 THR C 1 . . . 1 151 470 . . 607448.9375 . 8.50493842 . 112.0047826 . 174.5117818 . A 69 GLY H A 69 GLY N A 69 GLY C 1 . . . 1 152 472 . . 289979.125 . 7.794350943 . 110.5946701 . 175.3915684 . A 17 GLY H A 17 GLY N A 16 ASN C 1 . . . 1 153 473 . . 391708.125 . 7.797935918 . 110.5712455 . 173.3408137 . A 17 GLY H A 17 GLY N A 17 GLY C 1 . . . 1 154 474 . . 337392.0312 . 8.276412777 . 110.0260589 . 176.2213442 . A 22 GLY H A 22 GLY N A 21 LYS C 1 . . . 1 155 475 . . 511761.7812 . 8.274300754 . 110.0466915 . 171.2468073 . A 22 GLY H A 22 GLY N A 22 GLY C 1 . . . 1 156 477 . . 263171.2188 . 8.699936878 . 109.3575818 . 178.7016371 . A 19 THR H A 19 THR N A 18 LYS C 1 . . . 1 157 479 . . 546549.8125 . 8.704679425 . 109.372675 . 173.8075969 . A 19 THR H A 19 THR N A 19 THR C 1 . . . 1 158 482 . . 766250.0867 . 7.84807788 . 108.225 . 171.7189767 . A 49 GLY H A 49 GLY N A 49 GLY C 1 . . . 1 159 483 . . 254281.2679 . 7.847995101 . 108.225 . 174.5792059 . A 49 GLY H A 49 GLY N A 48 ASP C 1 . . . 1 160 484 . . 502768.6562 . 7.748345108 . 109.2651171 . 176.1769656 . A 77 GLY H A 77 GLY N A 76 GLN C 1 . . . 1 161 486 . . 737466.875 . 7.74818382 . 109.2577609 . 174.0186004 . A 77 GLY H A 77 GLY N A 77 GLY C 1 . . . 1 162 487 . . 287980.1306 . 7.658534382 . 108.8381797 . 173.9303919 . A 46 GLY H A 46 GLY N A 45 ASN C 1 . . . 1 163 488 . . 434719.6816 . 7.66038246 . 108.8381797 . 174.100415 . A 46 GLY H A 46 GLY N A 46 GLY C 1 . . . 1 164 489 . . 93466.01946 . 6.875077677 . 124.277 . 176.117452 . A 34 ALA H A 34 ALA N A 33 THR C 1 . . . 1 165 490 . . 855415.5702 . 6.874449105 . 124.277 . 177.072882 . A 34 ALA H A 34 ALA N A 34 ALA C 1 . . . 1 166 491 . . 212115.0156 . 7.133947405 . 121.177 . 179.9649883 . A 37 VAL H A 37 VAL N A 36 LYS C 1 . . . 1 167 492 . . 794797.0742 . 7.132949443 . 121.177 . 179.6935427 . A 37 VAL H A 37 VAL N A 37 VAL C 1 . . . 1 168 493 . . 665714.3295 . 7.311636466 . 120.288 . 177.0035762 . A 40 GLN H A 40 GLN N A 40 GLN C 1 . . . 1 169 494 . . 166143.9166 . 7.312318081 . 120.288 . 179.4755281 . A 40 GLN H A 40 GLN N A 39 LYS C 1 . . . 1 170 495 . . 262100.1139 . 6.805583592 . 117.306 . 177.2950071 . A 36 LYS H A 36 LYS N A 35 GLU C 1 . . . 1 171 496 . . 640365.819 . 6.805441097 . 117.306 . 179.9316407 . A 36 LYS H A 36 LYS N A 36 LYS C 1 . . . 1 172 497 . . 1592623.809 . 7.219205701 . 115.7 . 174.5355344 . A 30 ASP H A 30 ASP N A 30 ASP C 1 . . . 1 173 498 . . 248008.3343 . 7.219205701 . 115.7 . 175.0488893 . A 30 ASP H A 30 ASP N A 29 VAL C 1 . . . 1 174 499 . . 493780.8168 . 7.26535329 . 115.9593014 . 173.9179839 . A 45 ASN H A 45 ASN N A 45 ASN C 1 . . . 1 175 500 . . 145763.3622 . 7.26535329 . 115.9593014 . 177.0316252 . A 45 ASN H A 45 ASN N A 44 ASP C 1 . . . 1 176 501 . . 259414.3329 . 7.486023992 . 129.102 . 173.1104856 . A 54 ASP H A 54 ASP N A 53 TYR C 1 . . . 1 177 502 . . 294003.0739 . 7.486023992 . 129.102 . 174.5166253 . A 54 ASP H A 54 ASP N A 54 ASP C 1 . . . 1 178 504 . . 164656.1406 . 7.200997956 . 125.6253261 . 173.7824666 . A 20 LEU H A 20 LEU N A 19 THR C 1 . . . 1 179 505 . . 943014.9375 . 7.199638016 . 125.584336 . 173.3717692 . A 20 LEU H A 20 LEU N A 20 LEU C 1 . . . 1 180 506 . . 203989.7991 . 6.863314241 . 103.988 . 179.8254412 . A 57 THR H A 57 THR N A 56 ALA C 1 . . . 1 181 507 . . 459017.8575 . 6.863314241 . 103.988 . 175.1378661 . A 57 THR H A 57 THR N A 57 THR C 1 . . . 1 182 508 . . 850861.2106 . 8.21425747 . 122.956 . 176.3473932 . A 143 ARG H A 143 ARG N A 142 LYS C 1 . . . 1 183 509 . . 143199.4699 . 8.21425747 . 122.956 . 175.7173642 . A 143 ARG H A 143 ARG N A 143 ARG C 1 . . . 1 184 510 . . 7165891.32 . 7.984154671 . 120.605 . 177.691417 . A 98 LYS H A 98 LYS N A 97 ALA C 1 . . . 1 185 511 . . 5575200.187 . 7.984005253 . 120.605 . 176.4834026 . A 98 LYS H A 98 LYS N A 98 LYS C 1 . . . 1 186 521 . . 456891.6566 . 8.116791148 . 124.3588873 . 177.9580137 . A 90 ALA H A 90 ALA N A 89 LEU C 1 . . . 1 187 522 . . 2179742.424 . 8.116791148 . 124.3588873 . 178.5817494 . A 90 ALA H A 90 ALA N A 90 ALA C 1 . . . 1 188 529 . . 3689853.25 . 8.408304446 . 125.6171569 . 175.9820976 . A 115 GLN H A 115 GLN N A 115 GLN C 1 . . . 1 189 541 . . 3790716.564 . 8.037627176 . 125.1042978 . 177.2266311 . A 123 LEU H A 123 LEU N A 123 LEU C 1 . . . 1 190 542 . . 1285851.789 . 8.037627176 . 125.1042978 . 174.495583 . A 123 LEU H A 123 LEU N A 122 THR C 1 . . . 1 191 550 . . 635056.8413 . 8.117033903 . 121.862 . 179.1501765 . A 31 ALA H A 31 ALA N A 31 ALA C 1 . . . 1 192 551 . . 294464.201 . 8.117033903 . 121.862 . 174.5339412 . A 31 ALA H A 31 ALA N A 30 ASP C 1 . . . 1 193 562 . . 14223369 . 7.982395712 . 120.5396924 . 175.9453056 . A 104 VAL H A 104 VAL N A 104 VAL C 1 . . . 1 194 563 . . 8871055 . 8.108139881 . 122.3267108 . 176.1015094 . A 109 VAL H A 109 VAL N A 109 VAL C 1 . . . 1 195 564 . . 1025040 . 7.25611136 . 111.7437528 . 174.7737775 . A 59 THR H A 59 THR N A 59 THR C 1 . . . 1 196 565 . . 917955.6397 . 8.125033899 . 122.4143778 . 175.5680729 . A 76 GLN H A 76 GLN N A 75 PHE C 1 . . . 1 197 566 . . 222489.5469 . 8.004401615 . 117.69722 . 175.7077454 . A 146 SER H A 146 SER N A 145 TYR C 1 . . . 1 198 567 . . 217556.1094 . 8.004424792 . 117.7122223 . 174.1170679 . A 146 SER H A 146 SER N A 146 SER C 1 . . . 1 199 568 . . 434441.8998 . 8.104706472 . 121.5161273 . 178.9245441 . A 41 TYR H A 41 TYR N A 41 TYR C 1 . . . 1 200 569 . . 193514 . 8.8150824 . 122.1627813 . 179.3036863 . A 44 ASP H A 44 ASP N A 43 ASN C 1 . . . 1 201 570 . . 789027 . 8.8150824 . 122.1627813 . 177.0387319 . A 44 ASP H A 44 ASP N A 44 ASP C 1 . . . 1 202 571 . . 97764.40755 . 8.0620421 . 115.1650805 . 175.2931685 . A 91 SER H A 91 SER N A 91 SER C 1 . . . 1 203 572 . . 5845673.974 . 7.975337476 . 120.4066983 . 177.6951977 . A 104 VAL H A 104 VAL N A 103 ALA C 1 . . . 1 204 573 . . 4300647.519 . 7.966861241 . 120.4071622 . 175.9402604 . A 104 VAL H A 104 VAL N A 104 VAL C 1 . . . 1 205 574 . . 187577.9002 . 8.117415537 . 117.2960966 . 174.3324255 . A 113 THR H A 113 THR N A 113 THR C 1 . . . 1 207 576 . . 108754.4923 . 8.136141599 . 116.4518837 . 175.9659683 . A 116 THR H A 116 THR N A 115 GLN C 1 . . . 1 208 577 . . 119097 . 8.305216232 . 111.8692725 . 174.9493726 . A 117 GLY H A 117 GLY N A 116 THR C 1 . . . 1 209 578 . . 250970.0775 . 8.302575469 . 111.7824438 . 173.7299985 . A 117 GLY H A 117 GLY N A 117 GLY C 1 . . . 1 210 579 . . 262577.8137 . 8.126788952 . 116.4610392 . 174.9493726 . A 116 THR H A 116 THR N A 116 THR C 1 . . . 1 211 580 . . 356372 . 8.205435344 . 124.9920702 . 175.0080831 . A 134 ALA H A 134 ALA N A 133 ASN C 1 . . . 1 212 581 . . 582027.6818 . 8.200211245 . 125.0095722 . 178.1431243 . A 134 ALA H A 134 ALA N A 134 ALA C 1 . . . 1 213 582 . . 171679.079 . 8.151047442 . 118.4398693 . 174.2416913 . A 147 SER H A 147 SER N A 147 SER C 1 . . . 1 ; 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 . aliased 3.85037 ppm . . . . . . 51093 3 2 . . N 15 N . aliased 29.995 ppm . . . . . . 51093 3 3 . . C 13 CO . aliased 14.9982 ppm . . . . . . 51093 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 3 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 51093 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name PL_HNCA_GB1_pSu9(1-69) _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 4 _Spectral_peak_list.Experiment_name '3D HN(CO)CACB' _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 348540.4375 . 7.992913126 . 129.5039642 . 60.97490292 . A 64 GLU H A 64 GLU N A 63 THR CA 1 . . . 1 3 3 . . 5489664 . 8.22265947 . 128.8468379 . 61.98994394 . A 100 ALA H A 100 ALA N A 99 VAL CA 1 . . . 1 4 4 . . -3744651.25 . 8.222631661 . 128.844401 . 32.98658231 . A 100 ALA H A 100 ALA N A 99 VAL CB 1 . . . 1 5 5 . . 22744.81654 . 8.211589148 . 128.869 . 19.34245245 . A 100 ALA H A 100 ALA N A 100 ALA CB 1 . . . 1 6 6 . . 4100500 . 8.28860784 . 128.745441 . 62.14955251 . A 107 ALA H A 107 ALA N A 106 VAL CA 1 . . . 1 7 7 . . -2941614.25 . 8.289128055 . 128.7271254 . 32.955046 . A 107 ALA H A 107 ALA N A 106 VAL CB 1 . . . 1 8 8 . . 485360.6562 . 8.335653046 . 127.9460881 . 62.11048333 . A 48 ASP H A 48 ASP N A 47 VAL CA 1 . . . 1 9 9 . . -381634.0938 . 8.335905209 . 127.9600975 . 33.30381722 . A 48 ASP H A 48 ASP N A 47 VAL CB 1 . . . 1 10 10 . . 131753.2656 . 8.943765867 . 126.8535112 . 52.79117588 . A 14 ILE H A 14 ILE N A 13 LEU CA 1 . . . 1 11 11 . . -96320.47328 . 8.943041363 . 126.8894098 . 42.81026967 . A 14 ILE H A 14 ILE N A 13 LEU CB 1 . . . 1 12 12 . . 162.4193351 . 8.956101111 . 126.959 . 38.25508082 . A 14 ILE H A 14 ILE N A 14 ILE CB 1 . . . 1 14 29 . . 16761065 . 7.695175895 . 126.4397252 . 55.37722879 . A 149 GLU H A 149 GLU N A 148 LEU CA 1 . . . 1 16 31 . . 246548.5625 . 8.700606992 . 126.1190553 . 54.53913609 . A 16 ASN H A 16 ASN N A 15 LEU CA 1 . . . 1 17 32 . . -274562.1562 . 8.700881384 . 126.1471241 . 42.38664712 . A 16 ASN H A 16 ASN N A 15 LEU CB 1 . . . 1 18 33 . . 2290157.5 . 8.293694276 . 126.1515306 . 62.25205596 . A 105 ARG H A 105 ARG N A 104 VAL CA 1 . . . 1 20 38 . . 2666116 . 8.137970073 . 125.9139926 . 63.08731393 . A 85 LEU H A 85 LEU N A 84 VAL CA 1 . . . 1 22 41 . . -933615.3125 . 7.971017613 . 125.924633 . 63.78766713 . A 97 ALA H A 97 ALA N A 96 SER CB 1 . . . 1 23 42 . . 842284.875 . 7.973371503 . 125.9195244 . 58.6629231 . A 97 ALA H A 97 ALA N A 96 SER CA 1 . . . 1 24 43 . . 1182047.875 . 8.183608905 . 125.7753455 . 55.9957203 . A 144 ALA H A 144 ALA N A 143 ARG CA 1 . . . 1 25 44 . . -826160.3125 . 8.183288247 . 125.8294901 . 31.00707718 . A 144 ALA H A 144 ALA N A 143 ARG CB 1 . . . 1 26 50 . . 294447.6562 . 8.416388824 . 125.5174501 . 51.8809832 . A 55 ASP H A 55 ASP N A 54 ASP CA 1 . . . 1 27 51 . . -303824.2188 . 8.416743194 . 125.4914341 . 43.08522341 . A 55 ASP H A 55 ASP N A 54 ASP CB 1 . . . 1 29 54 . . 208255.7344 . 9.027005137 . 125.227463 . 55.57761258 . A 11 TYR H A 11 TYR N A 10 GLN CA 1 . . . 1 30 55 . . -204497.5625 . 9.026942898 . 125.2826556 . 30.79428104 . A 11 TYR H A 11 TYR N A 10 GLN CB 1 . . . 1 31 56 . . 7621269 . 8.284384646 . 125.2275388 . 63.00214086 . A 103 ALA H A 103 ALA N . . . . 1 . . . 1 33 61 . . 1128404.75 . 8.115376464 . 125.2123756 . 56.33752315 . A 139 ALA H A 139 ALA N A 138 GLN CA 1 . . . 1 34 62 . . -881218 . 8.115376464 . 125.2123756 . 29.44148357 . A 139 ALA H A 139 ALA N A 138 GLN CB 1 . . . 1 35 69 . . 293650.1562 . 9.281225452 . 125.0786109 . 54.82155808 . A 28 ALA H A 28 ALA N A 27 GLU CA 1 . . . 1 36 70 . . -209073.6406 . 9.284130247 . 125.100318 . 31.7693389 . A 28 ALA H A 28 ALA N A 27 GLU CB 1 . . . 1 37 71 . . 537717 . 8.184761406 . 124.8741199 . 42.28401757 . A 86 ALA H A 86 ALA N A 85 LEU CB 1 . . . 1 38 72 . . -390900 . 8.184761406 . 124.8741199 . 42.28401757 . A 86 ALA H A 86 ALA N A 85 LEU CB 1 . . . 1 40 81 . . 2653379.267 . 8.043309532 . 125.015 . 56.21864187 . A 94 ALA H A 94 ALA N A 93 MET CA 1 . . . 1 41 82 . . -92323.1026 . 8.04327607 . 125.015 . 53.04464181 . A 94 ALA H A 94 ALA N A 94 ALA CA 1 . . . 1 43 84 . . 10451472 . 8.138222625 . 124.6209149 . 58.54513796 . A 148 LEU H A 148 LEU N A 147 SER CA 1 . . . 1 44 85 . . 565755.5 . 8.007512987 . 124.400441 . 55.23431905 . A 21 LYS H A 21 LYS N A 20 LEU CA 1 . . . 1 45 86 . . -372763.0938 . 8.008070958 . 124.3952699 . 43.76165757 . A 21 LYS H A 21 LYS N A 20 LEU CB 1 . . . 1 47 94 . . -4514115.184 . 8.031551889 . 124.643279 . 38.6582709 . A 132 VAL H A 132 VAL N A 131 ILE CB 1 . . . 1 48 95 . . -56594.44157 . 8.079981853 . 123.7771382 . 71.09121935 . A 62 VAL H A 62 VAL N A 61 THR CB 1 . . . 1 50 97 . . -563184.8125 . 8.160611522 . 123.6290252 . 69.71152431 . A 137 ARG H A 137 ARG N A 136 THR CB 1 . . . 1 51 99 . . 502230.8438 . 8.161390961 . 123.6072239 . 62.31869492 . A 137 ARG H A 137 ARG N A 136 THR CA 1 . . . 1 52 105 . . 260077.75 . 8.986112302 . 123.325298 . 56.67336302 . A 39 LYS H A 39 LYS N A 38 PHE CA 1 . . . 1 55 111 . . 377034.5938 . 9.043571217 . 123.2736975 . 61.91054767 . A 42 ALA H A 42 ALA N A 41 TYR CA 1 . . . 1 58 150 . . 2578703.055 . 8.501177996 . 122.988 . 58.7259603 . A 71 GLU H A 71 GLU N A 70 SER CA 1 . . . 1 59 151 . . 67526.24004 . 8.500983691 . 122.988 . 57.22862926 . A 71 GLU H A 71 GLU N A 71 GLU CA 1 . . . 1 60 152 . . -2747132.084 . 8.501111607 . 122.988 . 63.86814518 . A 71 GLU H A 71 GLU N A 70 SER CB 1 . . . 1 62 162 . . 1976784.75 . 8.135444198 . 122.9997307 . 56.43755559 . A 124 LYS H A 124 LYS N A 124 LYS CA 1 . . . 1 63 163 . . 2528669.5 . 8.15924598 . 122.9319761 . 55.49587037 . A 124 LYS H A 124 LYS N A 123 LEU CA 1 . . . 1 65 167 . . 475504.0938 . 8.304165474 . 122.8285091 . 55.1991768 . A 9 LYS H A 9 LYS N A 8 MET CA 1 . . . 1 66 172 . . 4336130.5 . 7.942978916 . 122.5953066 . 53.47457388 . A 73 LEU H A 73 LEU N A 72 ASN CA 1 . . . 1 67 173 . . -5053487.5 . 7.942550461 . 122.5925888 . 38.86854497 . A 73 LEU H A 73 LEU N A 72 ASN CB 1 . . . 1 70 176 . . -404301.2554 . 8.063259259 . 122.4011786 . 63.60109932 . A 92 GLN H A 92 GLN N A 91 SER CB 1 . . . 1 72 182 . . 402146.2812 . 8.8150824 . 122.1627813 . 57.02472302 . A 44 ASP H A 44 ASP N A 43 ASN CA 1 . . . 1 73 183 . . -357143.7188 . 8.8150824 . 122.1627813 . 38.94585375 . A 44 ASP H A 44 ASP N A 43 ASN CB 1 . . . 1 78 188 . . 605149 . 9.128612433 . 121.7619212 . 44.83409448 . A 18 LYS H A 18 LYS N A 17 GLY CA 1 . . . 1 79 189 . . 1264556.25 . 8.188243568 . 121.8330482 . 56.62069133 . A 138 GLN H A 138 GLN N A 137 ARG CA 1 . . . 1 81 191 . . 1822744 . 7.939706775 . 121.7590388 . 58.04366492 . A 75 PHE H A 75 PHE N A 74 TYR CA 1 . . . 1 84 194 . . 22191.29708 . 8.118408283 . 121.486 . 38.74337304 . A 41 TYR H A 41 TYR N A 41 TYR CB 1 . . . 1 85 196 . . 10095435 . 7.807086372 . 121.2960686 . 56.44557474 . A 99 VAL H A 99 VAL N A 98 LYS CA 1 . . . 1 86 198 . . -7941491 . 7.807086372 . 121.2960686 . 32.98019399 . A 99 VAL H A 99 VAL N A 98 LYS CB 1 . . . 1 87 199 . . 2777121 . 8.158027025 . 121.2689759 . 55.66722533 . A 121 GLN H A 121 GLN N A 120 LEU CA 1 . . . 1 88 200 . . -2225204.75 . 8.158027025 . 121.2689759 . 42.20737369 . A 121 GLN H A 121 GLN N A 120 LEU CB 1 . . . 1 89 203 . . 2397654.5 . 8.094751601 . 120.982484 . 56.69308312 . A 93 MET H A 93 MET N A 92 GLN CA 1 . . . 1 91 205 . . 1216669.75 . 8.203084509 . 120.692278 . 56.34956448 . A 56 ALA H A 56 ALA N A 55 ASP CA 1 . . . 1 93 210 . . 2463268.5 . 7.935970312 . 120.0796864 . 55.69650845 . A 74 TYR H A 74 TYR N A 73 LEU CA 1 . . . 1 95 224 . . -679490 . 7.93644 . 119.6063497 . 34.90898025 . A 10 GLN H A 10 GLN N A 9 LYS CB 1 . . . 1 97 227 . . 872900.5 . 7.93408348 . 119.5383402 . 54.83489171 . A 10 GLN H A 10 GLN N A 9 LYS CA 1 . . . 1 98 230 . . 2383210.25 . 8.216327332 . 119.490789 . 57.22862926 . A 72 ASN H A 72 ASN N A 71 GLU CA 1 . . . 1 100 232 . . 1074743 . 8.273893114 . 119.3380552 . 45.25953251 . A 23 GLU H A 23 GLU N A 22 GLY CA 1 . . . 1 101 233 . . 5225867.5 . 7.965278569 . 119.3866748 . 52.87268881 . A 140 PHE H A 140 PHE N A 139 ALA CA 1 . . . 1 102 235 . . -4800060.5 . 7.964956193 . 119.3884911 . 19.16423397 . A 140 PHE H A 140 PHE N A 139 ALA CB 1 . . . 1 103 237 . . 238005 . 8.938544922 . 117.4500535 . 57.25503609 . A 61 THR H A 61 THR N A 60 PHE CA 1 . . . 1 104 238 . . 833941.375 . 8.110049716 . 117.4024895 . 45.36493217 . A 66 SER H A 66 SER N A 65 GLY CA 1 . . . 1 105 239 . . 270000.0312 . 8.241965716 . 117.3355604 . 54.96947445 . A 35 GLU H A 35 GLU N A 34 ALA CA 1 . . . 1 106 240 . . -281357.6875 . 8.240942831 . 117.2956861 . 17.47193649 . A 35 GLU H A 35 GLU N A 34 ALA CB 1 . . . 1 107 241 . . -565194.875 . 7.910895776 . 116.7906126 . 69.61959011 . A 136 THR H A 136 THR N A 135 THR CB 1 . . . 1 108 242 . . 615469.8125 . 7.911702857 . 116.7986512 . 62.55787797 . A 136 THR H A 136 THR N A 135 THR CA 1 . . . 1 109 245 . . 1498092.25 . 8.127731717 . 116.2795912 . 45.61988651 . A 70 SER H A 70 SER N A 69 GLY CA 1 . . . 1 110 248 . . -568373.9375 . 7.974838633 . 115.8914109 . 29.53249492 . A 122 THR H A 122 THR N A 121 GLN CB 1 . . . 1 111 252 . . 423512.9375 . 8.630517221 . 115.6156186 . 51.47996133 . A 29 VAL H A 29 VAL N A 28 ALA CA 1 . . . 1 112 253 . . -423684.9062 . 8.630377862 . 115.6106409 . 23.61769532 . A 29 VAL H A 29 VAL N A 28 ALA CB 1 . . . 1 113 254 . . 387290.875 . 9.120764034 . 114.9110304 . 57.83260297 . A 52 THR H A 52 THR N A 51 TRP CA 1 . . . 1 114 255 . . -208701.0625 . 9.118325606 . 114.9261927 . 30.74816257 . A 52 THR H A 52 THR N A 51 TRP CB 1 . . . 1 115 257 . . 1339613.25 . 7.980640045 . 114.6950469 . 53.11570419 . A 96 SER H A 96 SER N A 95 ALA CA 1 . . . 1 117 259 . . 634149.125 . 8.026108896 . 114.5936917 . 53.33131188 . A 87 SER H A 87 SER N A 86 ALA CA 1 . . . 1 118 260 . . -607753.1875 . 8.026108896 . 114.5936917 . 19.05325865 . A 87 SER H A 87 SER N A 86 ALA CB 1 . . . 1 119 261 . . 471645.7188 . 8.67459193 . 113.3554462 . 56.49721613 . A 65 GLY H A 65 GLY N A 64 GLU CA 1 . . . 1 120 262 . . -350629 . 8.675992465 . 113.3964544 . 31.96979564 . A 65 GLY H A 65 GLY N A 64 GLU CB 1 . . . 1 121 263 . . 895675.1875 . 8.079452659 . 113.2431815 . 53.26754099 . A 135 THR H A 135 THR N A 134 ALA CA 1 . . . 1 122 264 . . -816633.25 . 8.078048083 . 113.2402344 . 19.28564548 . A 135 THR H A 135 THR N A 134 ALA CB 1 . . . 1 125 267 . . 420600.0312 . 7.796128684 . 110.626366 . 51.29460575 . A 17 GLY H A 17 GLY N A 16 ASN CA 1 . . . 1 126 268 . . -690868.6875 . 7.797964915 . 110.6153344 . 38.28234051 . A 17 GLY H A 17 GLY N A 16 ASN CB 1 . . . 1 127 269 . . 401027.6562 . 8.273956531 . 110.0744865 . 54.05191982 . A 22 GLY H A 22 GLY N A 21 LYS CA 1 . . . 1 128 270 . . -370786.875 . 8.273323887 . 110.0665127 . 35.03981115 . A 22 GLY H A 22 GLY N A 21 LYS CB 1 . . . 1 129 271 . . 391180.4375 . 8.7055173 . 109.3555884 . 59.2376094 . A 19 THR H A 19 THR N A 18 LYS CA 1 . . . 1 130 272 . . -328000.5625 . 8.707181531 . 109.3476662 . 32.6910539 . A 19 THR H A 19 THR N A 18 LYS CB 1 . . . 1 131 273 . . -836671.25 . 7.198612411 . 125.5895304 . 69.77665211 . A 20 LEU H A 20 LEU N A 19 THR CB 1 . . . 1 132 274 . . 768780.75 . 7.199254974 . 125.5854761 . 62.08448515 . A 20 LEU H A 20 LEU N A 19 THR CA 1 . . . 1 133 275 . . 483051.2188 . 8.219225722 . 122.9822972 . 56.62586144 . A 143 ARG H A 143 ARG N A 142 LYS CA 1 . . . 1 134 276 . . -436281.7188 . 8.223860902 . 122.9902281 . 32.97899921 . A 143 ARG H A 143 ARG N A 142 LYS CB 1 . . . 1 135 279 . . 292919.4375 . 8.0620421 . 115.1650805 . 53.64996663 . A 91 SER H A 91 SER N A 90 ALA CA 1 . . . 1 136 280 . . -250069.5469 . 8.0620421 . 115.1650805 . 18.84165115 . A 91 SER H A 91 SER N A 90 ALA CB 1 . . . 1 137 281 . . -2311.549525 . 8.0620421 . 115.1650805 . 63.60109932 . A 91 SER H A 91 SER N A 91 SER CB 1 . . . 1 138 282 . . 78633.39936 . 7.994968389 . 120.605 . 56.44557474 . A 98 LYS H A 98 LYS N A 98 LYS CA 1 . . . 1 139 283 . . 5152740.176 . 7.995465311 . 120.605 . 52.76843555 . A 98 LYS H A 98 LYS N A 97 ALA CA 1 . . . 1 140 284 . . -81884.46092 . 7.992588481 . 120.605 . 32.98019399 . A 98 LYS H A 98 LYS N A 98 LYS CB 1 . . . 1 141 285 . . -9037557.112 . 7.991581453 . 120.605 . 19.30055923 . A 98 LYS H A 98 LYS N A 97 ALA CB 1 . . . 1 142 289 . . 1030169.897 . 8.116791148 . 124.3588873 . 55.86904733 . A 90 ALA H A 90 ALA N A 89 LEU CA 1 . . . 1 143 290 . . -55861.3704 . 8.116791148 . 124.3588873 . 53.64996663 . A 90 ALA H A 90 ALA N A 90 ALA CA 1 . . . 1 144 291 . . -820675.3761 . 8.116791148 . 124.3588873 . 42.22182245 . A 90 ALA H A 90 ALA N A 89 LEU CB 1 . . . 1 146 293 . . 1133567.375 . 8.40830602 . 125.6313795 . 61.1297185 . A 115 GLN H A 115 GLN N A 114 ILE CA 1 . . . 1 147 294 . . -821257.875 . 8.408334693 . 125.636207 . 38.85751455 . A 115 GLN H A 115 GLN N A 114 ILE CB 1 . . . 1 148 295 . . -2503836.5 . 8.037627176 . 125.1042978 . 69.75884702 . A 123 LEU H A 123 LEU N A 122 THR CB 1 . . . 1 149 302 . . 1093987.5 . 7.919963385 . 121.0089973 . 54.54815511 . A 32 ALA H A 32 ALA N A 31 ALA CA 1 . . . 1 151 304 . . -458504 . 8.335563552 . 123.2385526 . 32.74472191 . A 133 ASN H A 133 ASN N A 132 VAL CB 1 . . . 1 152 307 . . 184820.8383 . 8.016375311 . 117.6685744 . 57.95821255 . A 146 SER H A 146 SER N A 145 TYR CA 1 . . . 1 154 309 . . -85422.69642 . 8.995124364 . 123.1707331 . 43.45532177 . A 12 LYS H A 12 LYS N A 11 TYR CB 1 . . . 1 155 310 . . -217722.1012 . 8.8150824 . 122.1627813 . 38.94585375 . A 44 ASP H A 44 ASP N A 43 ASN CB 1 . . . 1 156 311 . . -2408529.58 . 8.04573478 . 123.2382092 . 19.01928005 . A 95 ALA H A 95 ALA N A 94 ALA CB 1 . . . 1 159 314 . . 180289.5307 . 8.124893512 . 116.4518837 . 55.79951736 . A 116 THR H A 116 THR N A 115 GLN CA 1 . . . 1 161 317 . . 191625.7462 . 8.305967998 . 111.7824438 . 61.92675731 . A 117 GLY H A 117 GLY N A 116 THR CA 1 . . . 1 163 320 . . -418096.1402 . 8.205249066 . 124.9867223 . 39.0069921 . A 134 ALA H A 134 ALA N A 133 ASN CB 1 . . . 1 164 321 . . 416025 . 8.212304808 . 124.9960702 . 53.23927058 . A 134 ALA H A 134 ALA N A 133 ASN CA 1 . . . 1 ; 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 . aliased 5.0763 ppm . . . . . . 51093 4 2 . . N 15 N . aliased 26.0015 ppm . . . . . . 51093 4 3 . . C 13 CA . aliased 29.9935 ppm . . . . . . 51093 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 51093 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name PL_HNCACO_GB1_pSu9(1-69) _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D HNCA' _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 8654423 . 7.99918596 . 129.4622827 . 56.40312485 . A 64 GLU H A 64 GLU N A 64 GLU CA 1 . . . 1 2 2 . . 6226788.5 . 9.193374596 . 128.8879913 . 57.8735421 . A 51 TRP H A 51 TRP N A 51 TRP CA 1 . . . 1 5 5 . . 19754824 . 8.213811409 . 128.8217621 . 52.34424512 . A 100 ALA H A 100 ALA N A 100 ALA CA 1 . . . 1 7 7 . . 20184094 . 8.27795046 . 128.6726756 . 52.46172897 . A 107 ALA H A 107 ALA N A 107 ALA CA 1 . . . 1 9 9 . . 8599786 . 8.328712162 . 127.9508739 . 52.60022247 . A 48 ASP H A 48 ASP N A 48 ASP CA 1 . . . 1 11 13 . . 3285214.5 . 8.51055267 . 127.1664889 . 52.72035577 . A 13 LEU H A 13 LEU N A 13 LEU CA 1 . . . 1 12 14 . . 3192559.75 . 8.950415472 . 126.9437483 . 60.18779664 . A 14 ILE H A 14 ILE N A 14 ILE CA 1 . . . 1 15 18 . . 4164996 . 8.600281313 . 126.4873036 . 54.43744781 . A 15 LEU H A 15 LEU N A 15 LEU CA 1 . . . 1 16 34 . . 49271104 . 7.692950363 . 126.5346271 . 58.14304468 . A 149 GLU H A 149 GLU N A 149 GLU CA 1 . . . 1 19 39 . . 4061057.25 . 8.709606383 . 126.2063688 . 51.20876751 . A 16 ASN H A 16 ASN N A 16 ASN CA 1 . . . 1 21 41 . . 12058385 . 8.281672308 . 126.0594884 . 56.00244871 . A 105 ARG H A 105 ARG N A 105 ARG CA 1 . . . 1 24 47 . . 14662630.59 . 8.130009737 . 125.988 . 55.64517961 . A 85 LEU H A 85 LEU N A 85 LEU CA 1 . . . 1 26 50 . . 4312468 . 7.97979563 . 125.9824899 . 52.65832438 . A 97 ALA H A 97 ALA N A 97 ALA CA 1 . . . 1 27 51 . . 4153869.25 . 7.981566472 . 125.9903343 . 52.84790645 . A 97 ALA H A 97 ALA N A 97 ALA CA 1 . . . 1 29 53 . . 4574963 . 8.173485087 . 125.8097519 . 52.39854984 . A 144 ALA H A 144 ALA N A 144 ALA CA 1 . . . 1 30 60 . . 6707272.811 . 8.412419789 . 125.574 . 56.39517213 . A 55 ASP H A 55 ASP N A 55 ASP CA 1 . . . 1 33 64 . . 3940135.75 . 8.192312686 . 125.4871688 . 52.94851572 . A 80 ALA H A 80 ALA N A 80 ALA CA 1 . . . 1 34 66 . . 4530008.5 . 9.030432584 . 125.2536455 . 57.24567318 . A 11 TYR H A 11 TYR N A 11 TYR CA 1 . . . 1 36 69 . . 24137946 . 8.274062437 . 125.2155819 . 52.47855349 . A 103 ALA H A 103 ALA N A 103 ALA CA 1 . . . 1 37 70 . . 24349236 . 8.273338915 . 125.2163669 . 52.30246537 . A 103 ALA H A 103 ALA N A 103 ALA CA 1 . . . 1 39 73 . . 6022873.5 . 8.115289905 . 125.211174 . 52.79613497 . A 139 ALA H A 139 ALA N A 139 ALA CA 1 . . . 1 41 75 . . 6761305.5 . 9.280667113 . 125.0776047 . 51.47051036 . A 28 ALA H A 28 ALA N A 28 ALA CA 1 . . . 1 43 77 . . 7258773 . 8.187747844 . 124.8846533 . 53.31083209 . A 86 ALA H A 86 ALA N A 86 ALA CA 1 . . . 1 46 80 . . 40534620 . 8.137203055 . 124.6713603 . 55.42467794 . A 148 LEU H A 148 LEU N A 148 LEU CA 1 . . . 1 47 81 . . 40496960 . 8.137836364 . 124.6677573 . 55.24036795 . A 148 LEU H A 148 LEU N A 148 LEU CA 1 . . . 1 49 89 . . 16573074 . 8.039595695 . 125.0111016 . 53.10507624 . A 95 ALA H A 95 ALA N A 95 ALA CA 1 . . . 1 50 95 . . 18185611.93 . 8.033329813 . 124.573 . 62.56679845 . A 132 VAL H A 132 VAL N A 132 VAL CA 1 . . . 1 54 101 . . 26583694 . 8.099602001 . 124.2980601 . 61.06480119 . A 114 ILE H A 114 ILE N A 114 ILE CA 1 . . . 1 58 109 . . 5253714 . 8.212115456 . 124.070655 . 61.05861914 . A 63 THR H A 63 THR N A 63 THR CA 1 . . . 1 59 110 . . 5146180.5 . 8.211810857 . 124.0649693 . 60.8374207 . A 63 THR H A 63 THR N A 63 THR CA 1 . . . 1 61 115 . . 4784920 . 8.069444017 . 123.747214 . 58.03820828 . A 62 VAL H A 62 VAL N A 62 VAL CA 1 . . . 1 62 116 . . 6885938.642 . 7.997964067 . 124.349 . 54.02245497 . A 21 LYS H A 21 LYS N A 21 LYS CA 1 . . . 1 66 126 . . 2197263.5 . 8.159044429 . 123.6202718 . 56.63463683 . A 137 ARG H A 137 ARG N A 137 ARG CA 1 . . . 1 67 129 . . 5335770.5 . 8.994321896 . 123.4474442 . 59.90499855 . A 39 LYS H A 39 LYS N A 39 LYS CA 1 . . . 1 69 132 . . 21174786 . 8.043435337 . 123.4827902 . 61.33643656 . A 131 ILE H A 131 ILE N A 131 ILE CA 1 . . . 1 72 137 . . 6611160.5 . 9.050899182 . 123.3057938 . 56.34286334 . A 42 ALA H A 42 ALA N A 42 ALA CA 1 . . . 1 73 138 . . 4721269.5 . 8.112605363 . 123.2658475 . 56.54517777 . A 142 LYS H A 142 LYS N A 142 LYS CA 1 . . . 1 75 162 . . 3581230.956 . 8.042927266 . 123.5342328 . 56.83299605 . A 146 SER H A 146 SER N A 146 SER CA 1 . . . 1 78 171 . . 2881211.5 . 8.320063881 . 123.1929918 . 53.2834062 . A 133 ASN H A 133 ASN N A 133 ASN CA 1 . . . 1 80 178 . . 15927267 . 8.500983691 . 122.988 . 57.22866582 . A 71 GLU H A 71 GLU N A 71 GLU CA 1 . . . 1 81 188 . . 31699502 . 8.081177087 . 122.9602078 . 62.21034741 . A 106 VAL H A 106 VAL N A 106 VAL CA 1 . . . 1 82 189 . . 31365778 . 8.081641087 . 122.9545546 . 62.03072401 . A 106 VAL H A 106 VAL N A 106 VAL CA 1 . . . 1 86 198 . . 24084516 . 7.933993662 . 122.6229496 . 55.60795997 . A 73 LEU H A 73 LEU N A 73 LEU CA 1 . . . 1 90 202 . . 18705880 . 7.997148361 . 122.5333475 . 55.83517062 . A 89 LEU H A 89 LEU N A 89 LEU CA 1 . . . 1 92 204 . . 3255138.25 . 8.060577906 . 122.398061 . 56.63813189 . A 92 GLN H A 92 GLN N A 92 GLN CA 1 . . . 1 96 218 . . 7691102 . 8.810564777 . 122.1438254 . 57.0034481 . A 44 ASP H A 44 ASP N A 44 ASP CA 1 . . . 1 98 222 . . 34874548 . 8.102753931 . 121.9775872 . 55.60272723 . A 120 LEU H A 120 LEU N A 120 LEU CA 1 . . . 1 99 223 . . 20300826 . 7.923400298 . 122.0148748 . 63.14988391 . A 84 VAL H A 84 VAL N A 84 VAL CA 1 . . . 1 101 226 . . 6410542 . 8.125074343 . 121.855386 . 54.54728724 . A 31 ALA H A 31 ALA N A 31 ALA CA 1 . . . 1 103 228 . . 6211077 . 9.138386223 . 121.8142298 . 59.1843525 . A 18 LYS H A 18 LYS N A 18 LYS CA 1 . . . 1 105 230 . . 4289057.5 . 8.183646492 . 121.8310862 . 56.34808893 . A 138 GLN H A 138 GLN N A 138 GLN CA 1 . . . 1 107 235 . . 5080038.5 . 8.110788142 . 121.5695146 . 61.9014401 . A 41 TYR H A 41 TYR N A 41 TYR CA 1 . . . 1 109 241 . . 9901547 . 8.005357201 . 121.4729947 . 62.02165832 . A 47 VAL H A 47 VAL N A 47 VAL CA 1 . . . 1 111 244 . . 44803588 . 7.808821083 . 121.3495208 . 61.90674883 . A 99 VAL H A 99 VAL N A 99 VAL CA 1 . . . 1 114 247 . . 7701765.5 . 8.464452454 . 121.2202607 . 57.0291354 . A 53 TYR H A 53 TYR N A 53 TYR CA 1 . . . 1 116 249 . . 5412329.5 . 8.336143511 . 121.2898228 . 56.6509304 . A 38 PHE H A 38 PHE N A 38 PHE CA 1 . . . 1 119 257 . . 12689171 . 8.092473797 . 121.0499356 . 56.15128972 . A 93 MET H A 93 MET N A 93 MET CA 1 . . . 1 120 258 . . 5059106 . 8.232705325 . 120.9517945 . 55.78415893 . A 108 GLN H A 108 GLN N A 108 GLN CA 1 . . . 1 123 263 . . 17958646 . 8.201731286 . 120.735657 . 55.17556734 . A 56 ALA H A 56 ALA N A 56 ALA CA 1 . . . 1 124 264 . . 43802068 . 7.964792299 . 120.421081 . 62.32580395 . A 104 VAL H A 104 VAL N A 104 VAL CA 1 . . . 1 126 267 . . 14920485 . 8.274353816 . 120.1386274 . 55.12485241 . A 8 MET H A 8 MET N A 8 MET CA 1 . . . 1 127 268 . . 22243618 . 7.929228423 . 120.0939409 . 57.94144982 . A 74 TYR H A 74 TYR N A 74 TYR CA 1 . . . 1 129 273 . . 12812447 . 7.99280033 . 119.8500439 . 57.89781171 . A 145 TYR H A 145 TYR N A 145 TYR CA 1 . . . 1 133 278 . . 10928075 . 8.214344062 . 119.5050995 . 53.35045759 . A 72 ASN H A 72 ASN N A 72 ASN CA 1 . . . 1 134 279 . . 8595659 . 8.266510032 . 119.3769774 . 54.69383813 . A 23 GLU H A 23 GLU N A 23 GLU CA 1 . . . 1 136 282 . . 19944386 . 7.957317137 . 119.3548667 . 57.83274025 . A 140 PHE H A 140 PHE N A 140 PHE CA 1 . . . 1 138 284 . . 5240599 . 8.948523503 . 117.5106291 . 61.62980116 . A 61 THR H A 61 THR N A 61 THR CA 1 . . . 1 140 287 . . 1551326.25 . 8.101025706 . 117.4000709 . 56.29656595 . A 66 SER H A 66 SER N A 66 SER CA 1 . . . 1 142 289 . . 6010131 . 8.243963651 . 117.372936 . 59.6901645 . A 35 GLU H A 35 GLU N A 35 GLU CA 1 . . . 1 144 293 . . 6204164 . 8.14227062 . 116.9793455 . 67.00231192 . A 33 THR H A 33 THR N A 33 THR CA 1 . . . 1 146 297 . . 6523023 . 8.645405262 . 116.7027352 . 60.5055104 . A 24 THR H A 24 THR N A 24 THR CA 1 . . . 1 149 302 . . 3624994.5 . 8.126540512 . 116.3096388 . 58.62529233 . A 70 SER H A 70 SER N A 70 SER CA 1 . . . 1 152 308 . . 2025042.875 . 8.043049449 . 115.8499718 . 62.21876503 . A 113 THR H A 113 THR N A 113 THR CA 1 . . . 1 153 310 . . 6477929 . 8.620931985 . 115.7047691 . 63.34568914 . A 29 VAL H A 29 VAL N A 29 VAL CA 1 . . . 1 155 313 . . 5658922 . 8.859862854 . 115.4804644 . 62.27445169 . A 26 THR H A 26 THR N A 26 THR CA 1 . . . 1 157 316 . . 5940694 . 9.124128203 . 114.981363 . 60.57132467 . A 52 THR H A 52 THR N A 52 THR CA 1 . . . 1 159 319 . . 4621221.5 . 7.979516935 . 114.7237473 . 58.71521621 . A 96 SER H A 96 SER N A 96 SER CA 1 . . . 1 161 321 . . 2852339.5 . 8.026341521 . 114.5954372 . 59.52282563 . A 87 SER H A 87 SER N A 87 SER CA 1 . . . 1 164 325 . . 14637915 . 8.664385826 . 113.3418425 . 45.35700582 . A 65 GLY H A 65 GLY N A 65 GLY CA 1 . . . 1 165 328 . . 3502684.25 . 8.073092884 . 113.2205406 . 62.4897586 . A 135 THR H A 135 THR N A 135 THR CA 1 . . . 1 168 331 . . 3783732.75 . 8.498901014 . 112.0331258 . 45.59829143 . A 69 GLY H A 69 GLY N A 69 GLY CA 1 . . . 1 170 334 . . 14580684 . 7.802354725 . 110.6062138 . 44.81004873 . A 17 GLY H A 17 GLY N A 17 GLY CA 1 . . . 1 172 336 . . 13450741 . 8.280979043 . 110.1079278 . 45.2436767 . A 22 GLY H A 22 GLY N A 22 GLY CA 1 . . . 1 173 337 . . 6200686.5 . 8.708017877 . 109.4312226 . 61.93775737 . A 19 THR H A 19 THR N A 19 THR CA 1 . . . 1 176 340 . . 22262378 . 7.861896977 . 108.2259185 . 45.63426993 . A 49 GLY H A 49 GLY N A 49 GLY CA 1 . . . 1 178 342 . . 7403045 . 7.755449099 . 109.3085557 . 45.56808202 . A 77 GLY H A 77 GLY N A 77 GLY CA 1 . . . 1 180 344 . . 8323442.5 . 7.680729815 . 108.831705 . 46.93215936 . A 46 GLY H A 46 GLY N A 46 GLY CA 1 . . . 1 182 348 . . 8802749 . 6.895038281 . 124.2921389 . 54.90926751 . A 34 ALA H A 34 ALA N A 34 ALA CA 1 . . . 1 184 350 . . 7016846.5 . 7.331992081 . 120.2899378 . 58.79766014 . A 40 GLN H A 40 GLN N A 40 GLN CA 1 . . . 1 188 357 . . 6623540 . 7.504590493 . 129.078621 . 51.92826404 . A 54 ASP H A 54 ASP N A 54 ASP CA 1 . . . 1 191 379 . . 1667581 . 8.062472224 . 115.1882126 . 59.10027814 . A 91 SER H A 91 SER N A 91 SER CA 1 . . . 1 194 400 . . 9004236.763 . 8.116455283 . 124.3588873 . 53.65000319 . A 90 ALA H A 90 ALA N A 90 ALA CA 1 . . . 1 196 404 . . 4823604 . 8.401102709 . 125.584585 . 55.69424399 . A 115 GLN H A 115 GLN N A 115 GLN CA 1 . . . 1 198 408 . . 10447887 . 6.829274704 . 117.2919062 . 59.66615142 . A 36 LYS H A 36 LYS N A 36 LYS CA 1 . . . 1 199 409 . . 17027344 . 7.91468055 . 121.0619123 . 54.75390121 . A 32 ALA H A 32 ALA N A 32 ALA CA 1 . . . 1 200 412 . . 4831069.779 . 8.009805845 . 122.2663732 . 55.78491745 . A 141 GLN H A 141 GLN N A 141 GLN CA 1 . . . 1 201 416 . . 2541666.101 . 7.909123793 . 116.773 . 62.22604083 . A 136 THR H A 136 THR N A 136 THR CA 1 . . . 1 202 417 . . 1032911.259 . 8.212945073 . 122.9558155 . 56.0323555 . A 143 ARG H A 143 ARG N A 143 ARG CA 1 . . . 1 203 418 . . 11726277 . 7.244134702 . 111.7093386 . 62.25854965 . A 59 THR H A 59 THR N A 59 THR CA 1 . . . 1 205 425 . . 2131183.268 . 10.2873663 . 131.574 . 57.15671771 . A 60 PHE H A 60 PHE N A 60 PHE CA 1 . . . 1 206 426 . . 7960724.939 . 8.12853552 . 122.379 . 56.0773214 . A 76 GLN H A 76 GLN N A 76 GLN CA 1 . . . 1 208 428 . . 8031225.198 . 7.834221201 . 124.223 . 54.77377034 . A 27 GLU H A 27 GLU N A 27 GLU CA 1 . . . 1 ; 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 . aliased 3.85037 ppm . . . . . . 51093 5 2 . . N 15 N . aliased 29.995 ppm . . . . . . 51093 5 3 . . C 13 CO . aliased 19.9941 ppm . . . . . . 51093 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 5 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 51093 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name PL_HN(CO)CACB_GB1_pSu9(1-69) _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 3 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_3 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '3D HNCACB' _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . -2091137.625 . 8.003837493 . 129.4339135 . 70.56085533 . A 64 GLU H A 64 GLU N A 63 THR CB 1 . . . 1 2 2 . . 1971905.875 . 8.003173224 . 129.4561596 . 60.97490292 . A 64 GLU H A 64 GLU N A 63 THR CA 1 . . . 1 3 3 . . 7213073.5 . 8.004088742 . 129.4237281 . 56.49721613 . A 64 GLU H A 64 GLU N A 64 GLU CA 1 . . . 1 4 4 . . -4249798 . 8.004393718 . 129.4203814 . 31.96979564 . A 64 GLU H A 64 GLU N A 64 GLU CB 1 . . . 1 5 5 . . 5110964 . 9.190854584 . 128.8954851 . 57.83260297 . A 51 TRP H A 51 TRP N A 51 TRP CA 1 . . . 1 6 6 . . 2090460 . 9.191375473 . 128.8801928 . 55.70614443 . A 51 TRP H A 51 TRP N A 50 GLU CA 1 . . . 1 7 7 . . -3102523.5 . 9.19059882 . 128.8886966 . 30.74816257 . A 51 TRP H A 51 TRP N A 51 TRP CB 1 . . . 1 9 9 . . 8425136 . 8.211086348 . 128.8023101 . 61.98994394 . A 100 ALA H A 100 ALA N A 99 VAL CA 1 . . . 1 10 10 . . 22018238 . 8.211571336 . 128.7948013 . 52.35955148 . A 100 ALA H A 100 ALA N A 100 ALA CA 1 . . . 1 11 11 . . -5447698 . 8.211866234 . 128.7994009 . 32.98658231 . A 100 ALA H A 100 ALA N A 99 VAL CB 1 . . . 1 13 14 . . 7769004 . 8.27372031 . 128.633413 . 62.14955251 . A 107 ALA H A 107 ALA N A 106 VAL CA 1 . . . 1 14 15 . . 20748332 . 8.274720716 . 128.6325457 . 52.4898467 . A 107 ALA H A 107 ALA N A 107 ALA CA 1 . . . 1 15 16 . . -4932209.5 . 8.274566709 . 128.6270309 . 32.955046 . A 107 ALA H A 107 ALA N A 106 VAL CB 1 . . . 1 17 18 . . 2917505.25 . 8.329349849 . 127.9172622 . 62.11048333 . A 48 ASP H A 48 ASP N A 47 VAL CA 1 . . . 1 18 19 . . 5827899.5 . 8.327688457 . 127.9295203 . 52.55097462 . A 48 ASP H A 48 ASP N A 48 ASP CA 1 . . . 1 19 20 . . -6224502 . 8.327534124 . 127.9235779 . 43.37217261 . A 48 ASP H A 48 ASP N A 48 ASP CB 1 . . . 1 20 22 . . 3316401 . 8.521226487 . 127.2026183 . 52.79117588 . A 13 LEU H A 13 LEU N A 13 LEU CA 1 . . . 1 24 28 . . 2491724 . 8.605511773 . 126.5226259 . 60.39521172 . A 15 LEU H A 15 LEU N A 14 ILE CA 1 . . . 1 25 29 . . 3466728.25 . 8.604470486 . 126.5363498 . 54.53913609 . A 15 LEU H A 15 LEU N A 15 LEU CA 1 . . . 1 26 30 . . -2732123.5 . 8.608009979 . 126.5333813 . 42.38664712 . A 15 LEU H A 15 LEU N A 15 LEU CB 1 . . . 1 28 34 . . -805671.9168 . 8.582272265 . 126.532 . 38.25508082 . A 15 LEU H A 15 LEU N A 14 ILE CB 1 . . . 1 29 39 . . 60253080 . 7.698747547 . 126.5027683 . 58.02296517 . A 149 GLU H A 149 GLU N A 149 GLU CA 1 . . . 1 30 40 . . 21263472 . 7.6985353 . 126.5080257 . 55.37722879 . A 149 GLU H A 149 GLU N A 148 LEU CA 1 . . . 1 31 41 . . -41778632 . 7.698790228 . 126.5042162 . 31.36637023 . A 149 GLU H A 149 GLU N A 149 GLU CB 1 . . . 1 32 42 . . 2579398.25 . 8.718206985 . 126.2367814 . 54.53913609 . A 16 ASN H A 16 ASN N A 15 LEU CA 1 . . . 1 33 43 . . 2730490 . 8.716508181 . 126.2276639 . 51.29460575 . A 16 ASN H A 16 ASN N A 16 ASN CA 1 . . . 1 34 44 . . -2522581.5 . 8.718243739 . 126.2095017 . 42.38664712 . A 16 ASN H A 16 ASN N A 15 LEU CB 1 . . . 1 35 45 . . -3985832.75 . 8.718139327 . 126.2056748 . 38.28234051 . A 16 ASN H A 16 ASN N A 16 ASN CB 1 . . . 1 37 47 . . 11140719 . 8.280402364 . 126.0223493 . 55.94940553 . A 105 ARG H A 105 ARG N A 105 ARG CA 1 . . . 1 38 48 . . -3196150.5 . 8.282576307 . 126.0237069 . 32.9276784 . A 105 ARG H A 105 ARG N A 104 VAL CB 1 . . . 1 39 49 . . -7357825.5 . 8.279902432 . 126.0131435 . 30.97856318 . A 105 ARG H A 105 ARG N A 105 ARG CB 1 . . . 1 40 54 . . 6832283.5 . 8.130426045 . 125.9937682 . 63.08731393 . A 85 LEU H A 85 LEU N A 84 VAL CA 1 . . . 1 41 55 . . 17274648 . 8.131317989 . 125.9877976 . 55.67125647 . A 85 LEU H A 85 LEU N A 85 LEU CA 1 . . . 1 43 57 . . -4365298 . 8.130526486 . 125.9896361 . 32.57862787 . A 85 LEU H A 85 LEU N A 84 VAL CB 1 . . . 1 44 58 . . 3838971.5 . 7.984134918 . 125.9793353 . 52.76843555 . A 97 ALA H A 97 ALA N A 97 ALA CA 1 . . . 1 45 59 . . -2777144 . 7.982018513 . 125.9901042 . 19.30055923 . A 97 ALA H A 97 ALA N A 97 ALA CB 1 . . . 1 46 60 . . 4568399.5 . 8.171927786 . 125.801074 . 52.45220113 . A 144 ALA H A 144 ALA N A 144 ALA CA 1 . . . 1 47 61 . . -3594512.25 . 8.17195961 . 125.7785935 . 19.32146532 . A 144 ALA H A 144 ALA N A 144 ALA CB 1 . . . 1 48 67 . . 6472999.5 . 8.418041407 . 125.5827193 . 56.34956448 . A 55 ASP H A 55 ASP N A 55 ASP CA 1 . . . 1 49 68 . . 3367735.75 . 8.417833674 . 125.581393 . 51.8809832 . A 55 ASP H A 55 ASP N A 54 ASP CA 1 . . . 1 50 69 . . -3096683.75 . 8.416755919 . 125.5702198 . 43.08522341 . A 55 ASP H A 55 ASP N A 54 ASP CB 1 . . . 1 51 70 . . -4540244 . 8.417693836 . 125.5807958 . 42.17922862 . A 55 ASP H A 55 ASP N A 55 ASP CB 1 . . . 1 52 73 . . 3906575.75 . 8.19064165 . 125.4757467 . 52.99214746 . A 80 ALA H A 80 ALA N A 80 ALA CA 1 . . . 1 53 74 . . -3165823.5 . 8.189225919 . 125.5311093 . 19.25656263 . A 80 ALA H A 80 ALA N A 80 ALA CB 1 . . . 1 54 75 . . 3836388 . 9.034908485 . 125.2256474 . 57.31149922 . A 11 TYR H A 11 TYR N A 11 TYR CA 1 . . . 1 55 76 . . 1993120.75 . 9.03214688 . 125.2728347 . 55.57761258 . A 11 TYR H A 11 TYR N A 10 GLN CA 1 . . . 1 56 77 . . -2804311 . 9.028846018 . 125.2503933 . 43.45532177 . A 11 TYR H A 11 TYR N A 11 TYR CB 1 . . . 1 58 80 . . 23022058 . 8.270935677 . 125.2036483 . 52.40195772 . A 103 ALA H A 103 ALA N A 103 ALA CA 1 . . . 1 61 83 . . 5271306 . 8.115376464 . 125.2123756 . 52.87268881 . A 139 ALA H A 139 ALA N A 139 ALA CA 1 . . . 1 62 84 . . -4437437.5 . 8.115376464 . 125.2123756 . 19.16423397 . A 139 ALA H A 139 ALA N A 139 ALA CB 1 . . . 1 63 87 . . 1871735.375 . 9.282481499 . 125.0594643 . 54.82155808 . A 28 ALA H A 28 ALA N A 27 GLU CA 1 . . . 1 64 88 . . 5306170 . 9.281503567 . 125.0491418 . 51.5066932 . A 28 ALA H A 28 ALA N A 28 ALA CA 1 . . . 1 66 90 . . -4288694.5 . 9.281760628 . 125.0529527 . 23.61769532 . A 28 ALA H A 28 ALA N A 28 ALA CB 1 . . . 1 67 91 . . 6908054 . 8.184761406 . 124.8741199 . 53.33131188 . A 86 ALA H A 86 ALA N A 86 ALA CA 1 . . . 1 68 92 . . -4848819.5 . 8.184761406 . 124.8741199 . 19.05325865 . A 86 ALA H A 86 ALA N A 86 ALA CB 1 . . . 1 69 93 . . 54027512 . 8.031551889 . 124.643279 . 62.59187487 . A 132 VAL H A 132 VAL N A 132 VAL CA 1 . . . 1 70 94 . . 19889260 . 8.031551889 . 124.643279 . 61.4188271 . A 132 VAL H A 132 VAL N A 131 ILE CA 1 . . . 1 72 96 . . -28389492 . 8.031551889 . 124.643279 . 32.74472191 . A 132 VAL H A 132 VAL N A 132 VAL CB 1 . . . 1 74 107 . . 15438679.96 . 8.04327607 . 125.015 . 53.04464181 . A 94 ALA H A 94 ALA N A 94 ALA CA 1 . . . 1 75 110 . . 45740552 . 8.13887434 . 124.6743808 . 55.37722879 . A 148 LEU H A 148 LEU N A 148 LEU CA 1 . . . 1 76 111 . . -32951650 . 8.138771092 . 124.6748203 . 42.44083414 . A 148 LEU H A 148 LEU N A 148 LEU CB 1 . . . 1 77 112 . . 4183526 . 7.995810883 . 124.3308774 . 55.23431905 . A 21 LYS H A 21 LYS N A 20 LEU CA 1 . . . 1 78 113 . . 6530461.5 . 7.996630776 . 124.3244332 . 54.05191982 . A 21 LYS H A 21 LYS N A 21 LYS CA 1 . . . 1 79 114 . . -2720830.25 . 7.998763937 . 124.3453741 . 43.76165757 . A 21 LYS H A 21 LYS N A 20 LEU CB 1 . . . 1 80 115 . . -4776257.5 . 7.996017975 . 124.3344662 . 35.03981115 . A 21 LYS H A 21 LYS N A 21 LYS CB 1 . . . 1 81 116 . . -8499316 . 8.095100941 . 124.246825 . 69.92883047 . A 114 ILE H A 114 ILE N A 113 THR CB 1 . . . 1 82 117 . . 9848933 . 8.095100941 . 124.246825 . 62.03016361 . A 114 ILE H A 114 ILE N A 113 THR CA 1 . . . 1 83 118 . . 26550398 . 8.095100941 . 124.246825 . 61.1297185 . A 114 ILE H A 114 ILE N A 114 ILE CA 1 . . . 1 86 121 . . 1341037.625 . 7.752587231 . 124.2816587 . 60.5299428 . A 58 LYS H A 58 LYS N A 57 THR CA 1 . . . 1 87 122 . . 5681713 . 7.759009364 . 124.2675858 . 57.30896465 . A 58 LYS H A 58 LYS N A 58 LYS CA 1 . . . 1 88 123 . . -5664363.5 . 7.758841365 . 124.2603192 . 29.84115062 . A 58 LYS H A 58 LYS N A 58 LYS CB 1 . . . 1 89 126 . . -2029630.375 . 7.838474558 . 124.2358261 . 70.03708153 . A 27 GLU H A 27 GLU N A 26 THR CB 1 . . . 1 90 127 . . 2509967.75 . 7.844015405 . 124.1962382 . 62.34815418 . A 27 GLU H A 27 GLU N A 26 THR CA 1 . . . 1 91 128 . . 7537782.5 . 7.839947691 . 124.2209709 . 54.82155808 . A 27 GLU H A 27 GLU N A 27 GLU CA 1 . . . 1 92 129 . . -5487981 . 7.841449691 . 124.2143034 . 31.7693389 . A 27 GLU H A 27 GLU N A 27 GLU CB 1 . . . 1 93 132 . . -3446304.5 . 8.220911426 . 124.0780335 . 70.56085533 . A 63 THR H A 63 THR N A 63 THR CB 1 . . . 1 94 133 . . 3748287.75 . 8.221456051 . 124.0821329 . 60.97490292 . A 63 THR H A 63 THR N A 63 THR CA 1 . . . 1 95 134 . . 2404789 . 8.220504552 . 124.0640075 . 58.11604519 . A 63 THR H A 63 THR N A 62 VAL CA 1 . . . 1 97 136 . . -634475.9835 . 8.201525038 . 124.071 . 32.47962075 . A 63 THR H A 63 THR N A 62 VAL CB 1 . . . 1 99 139 . . -2806684.784 . 8.079981853 . 123.7771382 . 32.47962075 . A 62 VAL H A 62 VAL N A 62 VAL CB 1 . . . 1 100 145 . . 1052397.625 . 8.160564004 . 123.6548743 . 62.31869492 . A 137 ARG H A 137 ARG N A 136 THR CA 1 . . . 1 101 148 . . 3415243.25 . 8.153633025 . 123.5085506 . 56.62069133 . A 137 ARG H A 137 ARG N A 137 ARG CA 1 . . . 1 103 150 . . 4104525.5 . 9.001754809 . 123.4583379 . 59.91560162 . A 39 LYS H A 39 LYS N A 39 LYS CA 1 . . . 1 104 151 . . 1566194.5 . 9.007768923 . 123.4281961 . 56.67336302 . A 39 LYS H A 39 LYS N A 38 PHE CA 1 . . . 1 106 153 . . -2501547.5 . 9.000242219 . 123.4454793 . 31.72309119 . A 39 LYS H A 39 LYS N A 39 LYS CB 1 . . . 1 108 155 . . 20845730 . 8.040939788 . 123.4521737 . 61.4188271 . A 131 ILE H A 131 ILE N A 131 ILE CA 1 . . . 1 111 160 . . 2263033.25 . 9.059470654 . 123.3317558 . 61.91054767 . A 42 ALA H A 42 ALA N A 41 TYR CA 1 . . . 1 112 161 . . 5877604 . 9.059896533 . 123.3214272 . 56.36223737 . A 42 ALA H A 42 ALA N A 42 ALA CA 1 . . . 1 113 162 . . -938739.5916 . 9.052381022 . 123.316713 . 38.74337304 . A 42 ALA H A 42 ALA N A 41 TYR CB 1 . . . 1 114 163 . . -3973425.75 . 9.059495872 . 123.3070563 . 17.94911242 . A 42 ALA H A 42 ALA N A 42 ALA CB 1 . . . 1 116 165 . . -3509772.213 . 8.114742981 . 123.243 . 32.97899921 . A 142 LYS H A 142 LYS N A 142 LYS CB 1 . . . 1 117 192 . . 1778181.25 . 9.001491183 . 123.1895697 . 57.31149922 . A 12 LYS H A 12 LYS N A 11 TYR CA 1 . . . 1 118 193 . . 4238074 . 9.000451789 . 123.1603762 . 55.20697229 . A 12 LYS H A 12 LYS N A 12 LYS CA 1 . . . 1 119 194 . . -2702305 . 9.004008961 . 123.1695235 . 36.13945516 . A 12 LYS H A 12 LYS N A 12 LYS CB 1 . . . 1 120 199 . . 6086109.534 . 8.501177996 . 122.988 . 58.7259603 . A 71 GLU H A 71 GLU N A 70 SER CA 1 . . . 1 121 200 . . 17156705.4 . 8.500983691 . 122.988 . 57.22862926 . A 71 GLU H A 71 GLU N A 71 GLU CA 1 . . . 1 122 201 . . -5332938.085 . 8.501111607 . 122.988 . 63.86814518 . A 71 GLU H A 71 GLU N A 70 SER CB 1 . . . 1 124 210 . . 14710410 . 8.147435516 . 122.9133722 . 56.43755559 . A 124 LYS H A 124 LYS N A 124 LYS CA 1 . . . 1 125 213 . . -4309702 . 8.130353033 . 122.925306 . 30.9475688 . A 124 LYS H A 124 LYS N A 124 LYS CB 1 . . . 1 126 214 . . 32472546 . 8.075769851 . 122.8870758 . 62.14955251 . A 106 VAL H A 106 VAL N A 106 VAL CA 1 . . . 1 127 215 . . 15260195 . 8.0760562 . 122.8863261 . 55.94940553 . A 106 VAL H A 106 VAL N A 105 ARG CA 1 . . . 1 130 218 . . 9385312 . 8.304165474 . 122.8285091 . 55.1991768 . A 9 LYS H A 9 LYS N A 8 MET CA 1 . . . 1 131 219 . . -5869132.5 . 8.304165474 . 122.8285091 . 34.79208953 . A 9 LYS H A 9 LYS N A 8 MET CB 1 . . . 1 132 224 . . 24997132 . 7.933935298 . 122.6221858 . 55.69650845 . A 73 LEU H A 73 LEU N A 73 LEU CA 1 . . . 1 133 225 . . 10737787 . 7.933369042 . 122.6198154 . 53.47457388 . A 73 LEU H A 73 LEU N A 72 ASN CA 1 . . . 1 136 228 . . 19954748 . 7.999570632 . 122.5349096 . 55.86904733 . A 89 LEU H A 89 LEU N A 89 LEU CA 1 . . . 1 138 230 . . 3837046 . 8.063259259 . 122.4011786 . 56.69308312 . A 92 GLN H A 92 GLN N A 92 GLN CA 1 . . . 1 139 232 . . -533139.1739 . 8.063259259 . 122.4011786 . 63.60109932 . A 92 GLN H A 92 GLN N A 91 SER CB 1 . . . 1 140 236 . . 20803900 . 8.108139881 . 122.3267108 . 62.36672162 . A 109 VAL H A 109 VAL N A 109 VAL CA 1 . . . 1 142 238 . . -8896027 . 8.108139881 . 122.3267108 . 29.65630154 . A 109 VAL H A 109 VAL N A 108 GLN CB 1 . . . 1 143 239 . . 21066168 . 8.144883444 . 122.2386371 . 53.81069931 . A 101 ARG H A 101 ARG N A 101 ARG CA 1 . . . 1 144 240 . . 9576945 . 8.144693304 . 122.2441445 . 52.35955148 . A 101 ARG H A 101 ARG N A 100 ALA CA 1 . . . 1 146 242 . . -8095374 . 8.144153938 . 122.2460824 . 19.34245245 . A 101 ARG H A 101 ARG N A 100 ALA CB 1 . . . 1 147 243 . . -4294597.5 . 8.011357282 . 122.261093 . 29.63625836 . A 141 GLN H A 141 GLN N A 141 GLN CB 1 . . . 1 148 244 . . 6480822 . 8.8150824 . 122.1627813 . 57.07629 . A 44 ASP H A 44 ASP N A 44 ASP CA 1 . . . 1 149 245 . . -4262345 . 8.8150824 . 122.1627813 . 40.11160106 . A 44 ASP H A 44 ASP N A 44 ASP CB 1 . . . 1 150 247 . . 39879720 . 8.099860288 . 121.9680699 . 55.66722533 . A 120 LEU H A 120 LEU N A 120 LEU CA 1 . . . 1 151 248 . . -27415448 . 8.100420239 . 121.9664009 . 42.20737369 . A 120 LEU H A 120 LEU N A 120 LEU CB 1 . . . 1 153 250 . . 21731362 . 7.924327837 . 121.9624487 . 63.08731393 . A 84 VAL H A 84 VAL N A 84 VAL CA 1 . . . 1 157 254 . . 5531914 . 8.129964938 . 121.886628 . 54.54815511 . A 31 ALA H A 31 ALA N A 31 ALA CA 1 . . . 1 158 255 . . 6482094.5 . 9.142896778 . 121.8261145 . 59.2376094 . A 18 LYS H A 18 LYS N A 18 LYS CA 1 . . . 1 159 256 . . 6216155 . 9.143469565 . 121.8230531 . 44.83409448 . A 18 LYS H A 18 LYS N A 17 GLY CA 1 . . . 1 160 257 . . -3478547.5 . 9.141988041 . 121.8364222 . 32.6910539 . A 18 LYS H A 18 LYS N A 18 LYS CB 1 . . . 1 161 258 . . 4752046 . 8.183407311 . 121.8149093 . 56.33752315 . A 138 GLN H A 138 GLN N A 138 GLN CA 1 . . . 1 162 259 . . -2724718.25 . 8.182630825 . 121.8070994 . 29.44148357 . A 138 GLN H A 138 GLN N A 138 GLN CB 1 . . . 1 163 260 . . 25685456 . 7.934870759 . 121.7031512 . 58.04366492 . A 75 PHE H A 75 PHE N A 74 TYR CA 1 . . . 1 165 262 . . -4833177.5 . 7.936221548 . 121.6801481 . 38.7092626 . A 75 PHE H A 75 PHE N A 74 TYR CB 1 . . . 1 166 263 . . 4363230.5 . 8.115291001 . 121.5467101 . 61.91054767 . A 41 TYR H A 41 TYR N A 41 TYR CA 1 . . . 1 167 264 . . -2104053.528 . 8.118408283 . 121.486 . 38.74337304 . A 41 TYR H A 41 TYR N A 41 TYR CB 1 . . . 1 168 268 . . 6824501 . 8.015231168 . 121.4792976 . 62.11048333 . A 47 VAL H A 47 VAL N A 47 VAL CA 1 . . . 1 169 269 . . 3291003.25 . 8.014612838 . 121.483703 . 46.9556652 . A 47 VAL H A 47 VAL N A 46 GLY CA 1 . . . 1 170 270 . . -3953642.75 . 8.013774618 . 121.4782112 . 33.30381722 . A 47 VAL H A 47 VAL N A 47 VAL CB 1 . . . 1 171 271 . . 6740591 . 7.914994934 . 121.465191 . 55.70614443 . A 50 GLU H A 50 GLU N A 50 GLU CA 1 . . . 1 172 272 . . 6927981 . 7.914962987 . 121.4426063 . 45.65498082 . A 50 GLU H A 50 GLU N A 49 GLY CA 1 . . . 1 173 273 . . -4627656.5 . 7.914336543 . 121.4323889 . 31.60173578 . A 50 GLU H A 50 GLU N A 50 GLU CB 1 . . . 1 174 274 . . 51348572 . 7.807086372 . 121.2960686 . 61.98994394 . A 99 VAL H A 99 VAL N A 99 VAL CA 1 . . . 1 175 275 . . 19429414 . 7.807086372 . 121.2960686 . 56.44557474 . A 99 VAL H A 99 VAL N A 98 LYS CA 1 . . . 1 176 276 . . -42200212 . 7.807086372 . 121.2960686 . 32.98019399 . A 99 VAL H A 99 VAL N A 98 LYS CB 1 . . . 1 177 277 . . -2564387.5 . 8.465805687 . 121.2778559 . 72.4330247 . A 53 TYR H A 53 TYR N A 52 THR CB 1 . . . 1 178 278 . . 2685774.5 . 8.465805687 . 121.2778559 . 60.56970295 . A 53 TYR H A 53 TYR N A 52 THR CA 1 . . . 1 179 279 . . 6496761.5 . 8.465805687 . 121.2778559 . 57.01986021 . A 53 TYR H A 53 TYR N A 53 TYR CA 1 . . . 1 180 280 . . -3751745.5 . 8.465805687 . 121.2778559 . 41.60728117 . A 53 TYR H A 53 TYR N A 53 TYR CB 1 . . . 1 181 282 . . 1661600 . 8.344421004 . 121.2881579 . 66.07682533 . A 38 PHE H A 38 PHE N A 37 VAL CA 1 . . . 1 182 283 . . 4609600 . 8.345733718 . 121.2951437 . 56.67336302 . A 38 PHE H A 38 PHE N A 38 PHE CA 1 . . . 1 183 284 . . -2923175 . 8.345852518 . 121.3083649 . 37.53249322 . A 38 PHE H A 38 PHE N A 38 PHE CB 1 . . . 1 185 286 . . 11134267 . 8.158027025 . 121.2689759 . 56.09315943 . A 121 GLN H A 121 GLN N A 121 GLN CA 1 . . . 1 186 287 . . -2669762.5 . 8.158027025 . 121.2689759 . 42.20737369 . A 121 GLN H A 121 GLN N A 120 LEU CB 1 . . . 1 187 288 . . -7323403.5 . 8.158027025 . 121.2689759 . 29.53249492 . A 121 GLN H A 121 GLN N A 121 GLN CB 1 . . . 1 188 296 . . 13360298 . 8.095136249 . 121.0267023 . 56.21864187 . A 93 MET H A 93 MET N A 93 MET CA 1 . . . 1 189 297 . . -5372104.5 . 8.093492425 . 121.0193347 . 32.88956802 . A 93 MET H A 93 MET N A 93 MET CB 1 . . . 1 190 298 . . -2852089.75 . 8.094022458 . 120.9992883 . 29.20580049 . A 93 MET H A 93 MET N A 92 GLN CB 1 . . . 1 191 299 . . 4343563.5 . 8.230863152 . 120.9264993 . 55.75553535 . A 108 GLN H A 108 GLN N A 108 GLN CA 1 . . . 1 192 300 . . 2504204.75 . 8.228493609 . 120.9407437 . 52.4898467 . A 108 GLN H A 108 GLN N A 107 ALA CA 1 . . . 1 193 301 . . -3450917.75 . 8.230426815 . 120.9274357 . 29.65630154 . A 108 GLN H A 108 GLN N A 108 GLN CB 1 . . . 1 194 302 . . -2014106.25 . 8.230721171 . 120.901698 . 19.35346437 . A 108 GLN H A 108 GLN N A 107 ALA CB 1 . . . 1 195 303 . . 4694736 . 8.202939818 . 120.7237283 . 56.34956448 . A 56 ALA H A 56 ALA N A 55 ASP CA 1 . . . 1 196 304 . . 14048876 . 8.203270572 . 120.7418163 . 55.17523171 . A 56 ALA H A 56 ALA N A 56 ALA CA 1 . . . 1 197 305 . . -3592353.5 . 8.203903238 . 120.7298633 . 42.17922862 . A 56 ALA H A 56 ALA N A 55 ASP CB 1 . . . 1 199 307 . . 46970184 . 7.959256475 . 120.3590281 . 62.25205596 . A 104 VAL H A 104 VAL N A 104 VAL CA 1 . . . 1 200 308 . . 22016818 . 7.958849926 . 120.3606094 . 52.40195772 . A 104 VAL H A 104 VAL N A 103 ALA CA 1 . . . 1 201 309 . . -25869440 . 7.959658296 . 120.361018 . 32.9276784 . A 104 VAL H A 104 VAL N A 104 VAL CB 1 . . . 1 204 313 . . 12404366 . 8.269265348 . 120.1586567 . 55.1991768 . A 8 MET H A 8 MET N A 8 MET CA 1 . . . 1 205 314 . . -7383300.5 . 8.269581218 . 120.1628832 . 34.79208953 . A 8 MET H A 8 MET N A 8 MET CB 1 . . . 1 207 316 . . 23960398 . 7.9277065 . 120.0921221 . 58.04366492 . A 74 TYR H A 74 TYR N A 74 TYR CA 1 . . . 1 208 317 . . 8469458 . 7.926992428 . 120.1094042 . 55.69650845 . A 74 TYR H A 74 TYR N A 73 LEU CA 1 . . . 1 209 318 . . -5806084 . 7.926492343 . 120.0928913 . 42.32084398 . A 74 TYR H A 74 TYR N A 73 LEU CB 1 . . . 1 211 321 . . 14510177 . 7.987357629 . 119.8354526 . 57.95821255 . A 145 TYR H A 145 TYR N A 145 TYR CA 1 . . . 1 212 322 . . 5308324.5 . 7.98758601 . 119.8327791 . 52.45220113 . A 145 TYR H A 145 TYR N A 144 ALA CA 1 . . . 1 213 323 . . -9941093 . 7.987859063 . 119.8251858 . 38.88632453 . A 145 TYR H A 145 TYR N A 145 TYR CB 1 . . . 1 214 324 . . -4431196 . 7.985602328 . 119.8349938 . 19.32146532 . A 145 TYR H A 145 TYR N A 144 ALA CB 1 . . . 1 215 326 . . 8331350 . 7.930298494 . 119.6142495 . 55.57761258 . A 10 GLN H A 10 GLN N A 10 GLN CA 1 . . . 1 216 327 . . -3172989 . 7.930791254 . 119.6203291 . 34.90898025 . A 10 GLN H A 10 GLN N A 9 LYS CB 1 . . . 1 217 328 . . -5785803 . 7.93071205 . 119.6324405 . 30.79428104 . A 10 GLN H A 10 GLN N A 10 GLN CB 1 . . . 1 218 330 . . 4490421.5 . 8.21792844 . 119.4934004 . 57.22862926 . A 72 ASN H A 72 ASN N A 71 GLU CA 1 . . . 1 219 331 . . 9627819 . 8.217502988 . 119.4981982 . 53.47457388 . A 72 ASN H A 72 ASN N A 72 ASN CA 1 . . . 1 221 333 . . -2861020 . 8.217066266 . 119.4927467 . 29.9749571 . A 72 ASN H A 72 ASN N A 71 GLU CB 1 . . . 1 222 334 . . 6857365 . 8.266111683 . 119.3819453 . 54.66921454 . A 23 GLU H A 23 GLU N A 23 GLU CA 1 . . . 1 224 336 . . -4399264.5 . 8.265473356 . 119.3810978 . 34.01318214 . A 23 GLU H A 23 GLU N A 23 GLU CB 1 . . . 1 225 337 . . 20624588 . 7.956707185 . 119.3449024 . 57.94897885 . A 140 PHE H A 140 PHE N A 140 PHE CA 1 . . . 1 226 338 . . 7555950 . 7.957169128 . 119.3426736 . 52.87268881 . A 140 PHE H A 140 PHE N A 139 ALA CA 1 . . . 1 228 340 . . -6300762.5 . 7.955930797 . 119.3500558 . 19.16423397 . A 140 PHE H A 140 PHE N A 139 ALA CB 1 . . . 1 229 341 . . 6560172.5 . 8.178481871 . 118.3447612 . 57.02472302 . A 43 ASN H A 43 ASN N A 43 ASN CA 1 . . . 1 230 342 . . -4962392 . 8.178481871 . 118.3447612 . 38.94585375 . A 43 ASN H A 43 ASN N A 43 ASN CB 1 . . . 1 231 343 . . -2184002.25 . 8.178481871 . 118.3447612 . 17.94911242 . A 43 ASN H A 43 ASN N A 42 ALA CB 1 . . . 1 232 344 . . -3033719.5 . 8.954258526 . 117.5428982 . 71.09121935 . A 61 THR H A 61 THR N A 61 THR CB 1 . . . 1 233 345 . . 3975269.75 . 8.954789708 . 117.5320329 . 61.58232821 . A 61 THR H A 61 THR N A 61 THR CA 1 . . . 1 234 346 . . 2171844.75 . 8.956178407 . 117.5080404 . 57.25503609 . A 61 THR H A 61 THR N A 60 PHE CA 1 . . . 1 237 349 . . 1266186.75 . 8.1124887 . 117.4253175 . 56.47724799 . A 66 SER H A 66 SER N A 66 SER CA 1 . . . 1 238 350 . . 5085423.5 . 8.245011522 . 117.3821128 . 59.75141998 . A 35 GLU H A 35 GLU N A 35 GLU CA 1 . . . 1 239 351 . . 1933273.5 . 8.244523423 . 117.3963077 . 54.96947445 . A 35 GLU H A 35 GLU N A 34 ALA CA 1 . . . 1 240 352 . . -2777922 . 8.246249921 . 117.3705428 . 29.24462026 . A 35 GLU H A 35 GLU N A 35 GLU CB 1 . . . 1 242 354 . . -3378117 . 8.149735981 . 116.9980992 . 67.98534614 . A 33 THR H A 33 THR N A 33 THR CB 1 . . . 1 243 355 . . 4258895.5 . 8.151889857 . 117.0030218 . 66.99457588 . A 33 THR H A 33 THR N A 33 THR CA 1 . . . 1 244 356 . . 1587839 . 8.154828533 . 117.0145466 . 54.78399172 . A 33 THR H A 33 THR N A 32 ALA CA 1 . . . 1 246 358 . . -3697682 . 8.656449974 . 116.7377219 . 69.63968331 . A 24 THR H A 24 THR N A 24 THR CB 1 . . . 1 247 359 . . 4498004.5 . 8.656449974 . 116.7377219 . 60.6880423 . A 24 THR H A 24 THR N A 24 THR CA 1 . . . 1 248 360 . . 2383019 . 8.656449974 . 116.7377219 . 54.66921454 . A 24 THR H A 24 THR N A 23 GLU CA 1 . . . 1 250 362 . . -2215793 . 7.908162662 . 116.7325484 . 69.71152431 . A 136 THR H A 136 THR N A 136 THR CB 1 . . . 1 251 363 . . 2164818 . 7.911905048 . 116.7511156 . 62.55787797 . A 136 THR H A 136 THR N A 135 THR CA 1 . . . 1 252 366 . . -3377664.25 . 8.124596988 . 116.3041512 . 63.86814518 . A 70 SER H A 70 SER N A 70 SER CB 1 . . . 1 253 367 . . 3255690.5 . 8.128512906 . 116.3019618 . 58.7259603 . A 70 SER H A 70 SER N A 70 SER CA 1 . . . 1 254 368 . . 3040010 . 8.125502327 . 116.3140729 . 45.61988651 . A 70 SER H A 70 SER N A 69 GLY CA 1 . . . 1 255 370 . . -2229300 . 7.974838633 . 115.8914109 . 69.75884702 . A 122 THR H A 122 THR N A 122 THR CB 1 . . . 1 256 371 . . 1917271.375 . 7.974838633 . 115.8914109 . 62.27772793 . A 122 THR H A 122 THR N A 122 THR CA 1 . . . 1 257 373 . . -934135.3125 . 7.974838633 . 115.8914109 . 29.53249492 . A 122 THR H A 122 THR N A 121 GLN CB 1 . . . 1 258 377 . . 5817333.5 . 8.619101462 . 115.7428323 . 63.45231499 . A 29 VAL H A 29 VAL N A 29 VAL CA 1 . . . 1 259 378 . . 4718808 . 8.621951426 . 115.7353143 . 51.47996133 . A 29 VAL H A 29 VAL N A 28 ALA CA 1 . . . 1 260 380 . . -3369299.5 . 8.622575829 . 115.7471742 . 32.40420474 . A 29 VAL H A 29 VAL N A 29 VAL CB 1 . . . 1 261 381 . . -3787628 . 8.619550666 . 115.730127 . 23.61769532 . A 29 VAL H A 29 VAL N A 28 ALA CB 1 . . . 1 263 383 . . -3941205.75 . 8.87048561 . 115.5115002 . 70.03708153 . A 26 THR H A 26 THR N A 26 THR CB 1 . . . 1 264 384 . . 4655592 . 8.870598494 . 115.4957934 . 62.34815418 . A 26 THR H A 26 THR N A 26 THR CA 1 . . . 1 265 385 . . 1814521 . 8.873433624 . 115.5064406 . 60.06965538 . A 26 THR H A 26 THR N A 25 THR CA 1 . . . 1 266 387 . . -3987468.5 . 9.129310684 . 114.9955384 . 72.4330247 . A 52 THR H A 52 THR N A 52 THR CB 1 . . . 1 267 388 . . 4717813 . 9.129313691 . 115.0098166 . 60.56970295 . A 52 THR H A 52 THR N A 52 THR CA 1 . . . 1 268 389 . . 2376034.5 . 9.130558899 . 114.9935404 . 57.83260297 . A 52 THR H A 52 THR N A 51 TRP CA 1 . . . 1 270 391 . . -3871355 . 7.980691601 . 114.7129002 . 63.78766713 . A 96 SER H A 96 SER N A 96 SER CB 1 . . . 1 271 392 . . 4292008.5 . 7.98042242 . 114.6946187 . 58.6629231 . A 96 SER H A 96 SER N A 96 SER CA 1 . . . 1 272 393 . . 1722234.875 . 7.982794981 . 114.6734161 . 53.11570419 . A 96 SER H A 96 SER N A 95 ALA CA 1 . . . 1 274 396 . . -2602270.75 . 8.026108896 . 114.5936917 . 63.46363722 . A 87 SER H A 87 SER N A 87 SER CB 1 . . . 1 275 397 . . 2668616.5 . 8.026108896 . 114.5936917 . 59.40550641 . A 87 SER H A 87 SER N A 87 SER CA 1 . . . 1 276 398 . . 1587120 . 8.026108896 . 114.5936917 . 53.33131188 . A 87 SER H A 87 SER N A 86 ALA CA 1 . . . 1 278 400 . . 2636764 . 8.663960256 . 113.3291034 . 56.49721613 . A 65 GLY H A 65 GLY N A 64 GLU CA 1 . . . 1 279 401 . . 15572876 . 8.664459863 . 113.3204027 . 45.36493217 . A 65 GLY H A 65 GLY N A 65 GLY CA 1 . . . 1 280 402 . . -2108350 . 8.664474267 . 113.2916499 . 31.96979564 . A 65 GLY H A 65 GLY N A 64 GLU CB 1 . . . 1 281 403 . . -2597074.75 . 8.073317978 . 113.2170674 . 69.61959011 . A 135 THR H A 135 THR N A 135 THR CB 1 . . . 1 282 404 . . 2674659.25 . 8.074511546 . 113.2152094 . 62.55787797 . A 135 THR H A 135 THR N A 135 THR CA 1 . . . 1 283 405 . . 1182595.5 . 8.072166595 . 113.208769 . 53.26754099 . A 135 THR H A 135 THR N A 134 ALA CA 1 . . . 1 285 408 . . -5349374.5 . 7.986583667 . 112.8212417 . 73.41314624 . A 25 THR H A 25 THR N A 25 THR CB 1 . . . 1 287 410 . . 6725117 . 7.986583667 . 112.8212417 . 60.06965538 . A 25 THR H A 25 THR N A 25 THR CA 1 . . . 1 288 411 . . 3793366.75 . 8.502307148 . 112.0341692 . 45.61988651 . A 69 GLY H A 69 GLY N A 69 GLY CA 1 . . . 1 289 412 . . 12290272 . 7.810405068 . 110.5933764 . 44.83409448 . A 17 GLY H A 17 GLY N A 17 GLY CA 1 . . . 1 291 414 . . 11434136 . 8.287590086 . 110.1053396 . 45.25953251 . A 22 GLY H A 22 GLY N A 22 GLY CA 1 . . . 1 292 415 . . 1385988.875 . 8.286754647 . 110.0587398 . 54.05191982 . A 22 GLY H A 22 GLY N A 21 LYS CA 1 . . . 1 294 417 . . -3993481 . 8.710740207 . 109.4605093 . 69.77665211 . A 19 THR H A 19 THR N A 19 THR CB 1 . . . 1 295 418 . . 3986563 . 8.70933644 . 109.4645866 . 62.08448515 . A 19 THR H A 19 THR N A 19 THR CA 1 . . . 1 296 419 . . 1540644.5 . 8.707655321 . 109.4560713 . 59.2376094 . A 19 THR H A 19 THR N A 18 LYS CA 1 . . . 1 297 420 . . 2675682.25 . 7.870520239 . 108.2287761 . 52.55097462 . A 49 GLY H A 49 GLY N A 48 ASP CA 1 . . . 1 298 421 . . 17909004 . 7.871290595 . 108.2272931 . 45.65498082 . A 49 GLY H A 49 GLY N A 49 GLY CA 1 . . . 1 299 422 . . -2800939.25 . 7.870800917 . 108.2428988 . 43.37217261 . A 49 GLY H A 49 GLY N A 48 ASP CB 1 . . . 1 301 424 . . 6611207.5 . 7.763707349 . 109.3098804 . 45.57463096 . A 77 GLY H A 77 GLY N A 77 GLY CA 1 . . . 1 303 426 . . 1437218.375 . 7.69655382 . 108.7930284 . 53.87619605 . A 46 GLY H A 46 GLY N A 45 ASN CA 1 . . . 1 304 427 . . 7340740.5 . 7.693986497 . 108.8452525 . 46.9556652 . A 46 GLY H A 46 GLY N A 46 GLY CA 1 . . . 1 307 430 . . 1487004.5 . 6.909664938 . 124.2742054 . 66.99457588 . A 34 ALA H A 34 ALA N A 33 THR CA 1 . . . 1 308 431 . . 7947580.5 . 6.908924263 . 124.2861559 . 54.96947445 . A 34 ALA H A 34 ALA N A 34 ALA CA 1 . . . 1 309 432 . . -5691198.5 . 6.908054303 . 124.301862 . 17.47193649 . A 34 ALA H A 34 ALA N A 34 ALA CB 1 . . . 1 310 433 . . 5926881 . 7.1784803 . 121.1790976 . 66.07682533 . A 37 VAL H A 37 VAL N A 37 VAL CA 1 . . . 1 311 434 . . 1763584.75 . 7.179525453 . 121.1696925 . 59.77129328 . A 37 VAL H A 37 VAL N A 36 LYS CA 1 . . . 1 312 435 . . -3249141.25 . 7.178438429 . 121.1730053 . 32.32362768 . A 37 VAL H A 37 VAL N A 36 LYS CB 1 . . . 1 313 437 . . 1230323.625 . 7.34200291 . 120.3048375 . 59.91560162 . A 40 GLN H A 40 GLN N A 39 LYS CA 1 . . . 1 314 438 . . 5889408.5 . 7.343366114 . 120.2914147 . 58.8245858 . A 40 GLN H A 40 GLN N A 40 GLN CA 1 . . . 1 315 439 . . -873595.5625 . 7.342767403 . 120.281384 . 31.72309119 . A 40 GLN H A 40 GLN N A 39 LYS CB 1 . . . 1 316 440 . . -3355552.75 . 7.344784643 . 120.2800776 . 28.27681597 . A 40 GLN H A 40 GLN N A 40 GLN CB 1 . . . 1 317 441 . . 9269829 . 6.845327802 . 117.3018266 . 59.75141998 . A 36 LYS H A 36 LYS N A 35 GLU CA 1 . . . 1 318 442 . . -4265228 . 6.845427333 . 117.3004245 . 32.32362768 . A 36 LYS H A 36 LYS N A 36 LYS CB 1 . . . 1 320 444 . . 1976845.75 . 7.251117984 . 115.7221401 . 63.45231499 . A 30 ASP H A 30 ASP N A 29 VAL CA 1 . . . 1 321 445 . . 16905922 . 7.25471389 . 115.7059046 . 52.74533462 . A 30 ASP H A 30 ASP N A 30 ASP CA 1 . . . 1 324 448 . . 3513554 . 7.26535329 . 115.9593014 . 53.87619605 . A 45 ASN H A 45 ASN N A 45 ASN CA 1 . . . 1 325 449 . . -3731999.25 . 7.26535329 . 115.9593014 . 40.11160106 . A 45 ASN H A 45 ASN N A 44 ASP CB 1 . . . 1 326 450 . . 3301460.25 . 7.515809057 . 129.1036482 . 57.01986021 . A 54 ASP H A 54 ASP N A 53 TYR CA 1 . . . 1 327 451 . . 5296874.5 . 7.51869672 . 129.094703 . 51.8809832 . A 54 ASP H A 54 ASP N A 54 ASP CA 1 . . . 1 328 452 . . -4505185 . 7.517236391 . 129.0978917 . 43.08522341 . A 54 ASP H A 54 ASP N A 54 ASP CB 1 . . . 1 329 453 . . -2230266.5 . 7.517801369 . 129.0829775 . 41.60728117 . A 54 ASP H A 54 ASP N A 53 TYR CB 1 . . . 1 330 454 . . -2178792.75 . 7.210834036 . 125.5358795 . 69.77665211 . A 20 LEU H A 20 LEU N A 19 THR CB 1 . . . 1 331 455 . . 2162429.5 . 7.213021592 . 125.5360758 . 62.08448515 . A 20 LEU H A 20 LEU N A 19 THR CA 1 . . . 1 332 456 . . 9687868 . 7.212152612 . 125.5481937 . 55.23431905 . A 20 LEU H A 20 LEU N A 20 LEU CA 1 . . . 1 333 457 . . -6626105 . 7.21104618 . 125.5518064 . 43.76165757 . A 20 LEU H A 20 LEU N A 20 LEU CB 1 . . . 1 334 458 . . -7496972 . 6.895120997 . 104.0008818 . 70.2548598 . A 57 THR H A 57 THR N A 57 THR CB 1 . . . 1 335 459 . . 7112568.5 . 6.894109424 . 103.9846583 . 60.5299428 . A 57 THR H A 57 THR N A 57 THR CA 1 . . . 1 336 460 . . 2282236.5 . 6.893564727 . 103.9654213 . 55.17523171 . A 57 THR H A 57 THR N A 56 ALA CA 1 . . . 1 337 461 . . -2065570.5 . 6.896752278 . 103.9520399 . 18.40416082 . A 57 THR H A 57 THR N A 56 ALA CB 1 . . . 1 338 462 . . 1945371.568 . 8.218150128 . 122.9397244 . 55.9957203 . A 143 ARG H A 143 ARG N A 143 ARG CA 1 . . . 1 340 467 . . 1251292.75 . 8.0620421 . 115.1650805 . 59.11207277 . A 91 SER H A 91 SER N A 91 SER CA 1 . . . 1 342 469 . . 12375905.32 . 7.994968389 . 120.605 . 56.44557474 . A 98 LYS H A 98 LYS N A 98 LYS CA 1 . . . 1 343 470 . . 5145015.51 . 7.995465311 . 120.605 . 52.76843555 . A 98 LYS H A 98 LYS N A 97 ALA CA 1 . . . 1 344 471 . . -8580443.235 . 7.992588481 . 120.605 . 32.98019399 . A 98 LYS H A 98 LYS N A 98 LYS CB 1 . . . 1 345 472 . . -4352069.137 . 7.991581453 . 120.605 . 19.30055923 . A 98 LYS H A 98 LYS N A 97 ALA CB 1 . . . 1 346 476 . . 3410274.62 . 8.116791148 . 124.3588873 . 55.86904733 . A 90 ALA H A 90 ALA N A 89 LEU CA 1 . . . 1 347 477 . . 9559079.69 . 8.116791148 . 124.3588873 . 53.64996663 . A 90 ALA H A 90 ALA N A 90 ALA CA 1 . . . 1 348 478 . . -2645011.587 . 8.116791148 . 124.3588873 . 42.22182245 . A 90 ALA H A 90 ALA N A 89 LEU CB 1 . . . 1 349 479 . . -7572515.796 . 8.116791148 . 124.3588873 . 18.84165115 . A 90 ALA H A 90 ALA N A 90 ALA CB 1 . . . 1 350 480 . . 1884074 . 8.400690207 . 125.5420978 . 61.1297185 . A 115 GLN H A 115 GLN N A 114 ILE CA 1 . . . 1 351 481 . . 4310953.5 . 8.395189129 . 125.5533371 . 55.79951736 . A 115 GLN H A 115 GLN N A 115 GLN CA 1 . . . 1 352 482 . . -2865791.5 . 8.394360793 . 125.5450184 . 29.52008049 . A 115 GLN H A 115 GLN N A 115 GLN CB 1 . . . 1 353 483 . . -4104210.25 . 8.037627176 . 125.1042978 . 69.75884702 . A 123 LEU H A 123 LEU N A 122 THR CB 1 . . . 1 354 484 . . 53281680 . 8.037627176 . 125.1042978 . 62.27772793 . A 123 LEU H A 123 LEU N A 122 THR CA 1 . . . 1 355 485 . . 13871397 . 8.037627176 . 125.1042978 . 55.49587037 . A 123 LEU H A 123 LEU N A 123 LEU CA 1 . . . 1 356 486 . . -9390256 . 8.037627176 . 125.1042978 . 42.44496533 . A 123 LEU H A 123 LEU N A 123 LEU CB 1 . . . 1 358 491 . . -3592160.87 . 8.123838386 . 121.932 . 17.70375426 . A 31 ALA H A 31 ALA N A 31 ALA CB 1 . . . 1 360 493 . . 14342199 . 7.914913114 . 121.072663 . 54.78399172 . A 32 ALA H A 32 ALA N A 32 ALA CA 1 . . . 1 363 497 . . -6000524 . 7.25611136 . 111.7437528 . 72.07690795 . A 59 THR H A 59 THR N A 59 THR CB 1 . . . 1 364 498 . . 7997152 . 7.25611136 . 111.7437528 . 62.3766713 . A 59 THR H A 59 THR N A 59 THR CA 1 . . . 1 367 502 . . -2157414 . 8.130353033 . 122.3627568 . 39.61360241 . A 76 GLN H A 76 GLN N A 75 PHE CB 1 . . . 1 368 504 . . -2401126 . 8.318175885 . 123.2065807 . 39.0069921 . A 133 ASN H A 133 ASN N A 133 ASN CB 1 . . . 1 369 517 . . 847125.0825 . 8.016375311 . 117.6685744 . 57.95821255 . A 146 SER H A 146 SER N A 145 TYR CA 1 . . . 1 370 518 . . 27204.05182 . 8.012117596 . 117.6685744 . 38.88632453 . A 146 SER H A 146 SER N A 145 TYR CB 1 . . . 1 371 519 . . -626782.169 . 8.014085734 . 117.6685744 . 64.06497024 . A 146 SER H A 146 SER N A 146 SER CB 1 . . . 1 372 520 . . -797195.9637 . 8.995124364 . 123.1707331 . 43.45532177 . A 12 LYS H A 12 LYS N A 11 TYR CB 1 . . . 1 373 521 . . 1987041.367 . 8.952769792 . 126.8918082 . 60.39521172 . A 14 ILE H A 14 ILE N A 14 ILE CA 1 . . . 1 374 522 . . 3905217.197 . 8.079981853 . 123.7771382 . 58.11604519 . A 62 VAL H A 62 VAL N A 62 VAL CA 1 . . . 1 375 523 . . -2012463.615 . 8.063259259 . 122.4011786 . 29.20580049 . A 92 GLN H A 92 GLN N A 92 GLN CB 1 . . . 1 377 525 . . 14474949.2 . 8.051534339 . 123.1678906 . 53.11570419 . A 95 ALA H A 95 ALA N A 95 ALA CA 1 . . . 1 378 526 . . 7364953.109 . 8.282669779 . 126.136728 . 55.94940553 . A 105 ARG H A 105 ARG N A 105 ARG CA 1 . . . 1 379 527 . . -4947720.329 . 8.281803713 . 126.136728 . 30.97856318 . A 105 ARG H A 105 ARG N A 105 ARG CB 1 . . . 1 382 530 . . 642430.8347 . 8.127976428 . 117.281405 . 62.03016361 . A 113 THR H A 113 THR N A 113 THR CA 1 . . . 1 383 531 . . 629090.4206 . 8.113300468 . 116.4518837 . 61.92675731 . A 116 THR H A 116 THR N A 116 THR CA 1 . . . 1 385 533 . . -814874.5865 . 8.121226799 . 116.4518837 . 69.01784912 . A 116 THR H A 116 THR N A 116 THR CB 1 . . . 1 386 534 . . 1263902.699 . 8.303237509 . 111.7824438 . 45.03946409 . A 117 GLY H A 117 GLY N A 117 GLY CA 1 . . . 1 387 535 . . 2625186.787 . 8.319550705 . 123.1741769 . 53.23927058 . A 133 ASN H A 133 ASN N A 133 ASN CA 1 . . . 1 388 536 . . -458123.8735 . 8.205249066 . 124.9867223 . 39.0069921 . A 134 ALA H A 134 ALA N A 133 ASN CB 1 . . . 1 389 537 . . 3481585.021 . 8.207749661 . 124.9867223 . 53.23927058 . A 134 ALA H A 134 ALA N A 133 ASN CA 1 . . . 1 390 538 . . -3089491.426 . 8.188028645 . 124.9867223 . 19.28564548 . A 134 ALA H A 134 ALA N A 134 ALA CB 1 . . . 1 391 539 . . 4967073.652 . 8.117334421 . 123.2480181 . 56.62586144 . A 142 LYS H A 142 LYS N A 142 LYS CA 1 . . . 1 392 541 . . 720799.4864 . 8.15246056 . 118.4295793 . 58.54513796 . A 147 SER H A 147 SER N A 147 SER CA 1 . . . 1 ; 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 . aliased 3.85037 ppm . . . . . . 51093 6 2 . . N 15 N . aliased 29.995 ppm . . . . . . 51093 6 3 . . C 13 CA/CB . aliased 69.9394 ppm . . . . . . 51093 6 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 6 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_7 _Spectral_peak_list.Entry_ID 51093 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name PL_HN(CO)CA_GB1_pSu9(1-69) _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 3 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_3 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D HN(CO)CA' _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 ; _nef_peak.index _nef_peak.peak_id _nef_peak.volume _nef_peak.volume_uncertainty _nef_peak.height _nef_peak.height_uncertainty _nef_peak.position_1 _nef_peak.position_uncertainty_1 _nef_peak.position_2 _nef_peak.position_uncertainty_2 _nef_peak.position_3 _nef_peak.position_uncertainty_3 _nef_peak.chain_code_1 _nef_peak.sequence_code_1 _nef_peak.residue_name_1 _nef_peak.atom_name_1 _nef_peak.chain_code_2 _nef_peak.sequence_code_2 _nef_peak.residue_name_2 _nef_peak.atom_name_2 _nef_peak.chain_code_3 _nef_peak.sequence_code_3 _nef_peak.residue_name_3 _nef_peak.atom_name_3 _nef_peak.ccpn_figure_of_merit _nef_peak.ccpn_linked_integral _nef_peak.ccpn_annotation _nef_peak.ccpn_comment _nef_peak.ccpn_peak_list_serial 1 1 . . 14691067 . 8.006140493 . 129.4030412 . 60.97490292 . A 64 GLU H A 64 GLU N A 63 THR CA 1 . . . 1 2 2 . . 12720561 . 9.191028863 . 128.8719354 . 55.70614443 . A 51 TRP H A 51 TRP N A 50 GLU CA 1 . . . 1 3 4 . . 47273664 . 8.212699039 . 128.7782748 . 61.98994394 . A 100 ALA H A 100 ALA N A 99 VAL CA 1 . . . 1 4 6 . . -4221227 . 8.274924122 . 128.6054011 . 62.74237873 . A 107 ALA H A 107 ALA N . . . . 1 . . . 1 5 7 . . 43270928 . 8.275208043 . 128.6061182 . 62.14955251 . A 107 ALA H A 107 ALA N A 106 VAL CA 1 . . . 1 6 8 . . 16176698 . 8.328950487 . 127.9080461 . 62.11048333 . A 48 ASP H A 48 ASP N A 47 VAL CA 1 . . . 1 7 9 . . 7602338 . 8.522182318 . 127.1849365 . 55.22730387 . A 13 LEU H A 13 LEU N A 12 LYS CA 1 . . . 1 8 11 . . 9690208 . 8.607039124 . 126.5116208 . 60.39521172 . A 15 LEU H A 15 LEU N A 14 ILE CA 1 . . . 1 9 16 . . 179170256 . 7.700212695 . 126.4861568 . 55.37722879 . A 149 GLU H A 149 GLU N A 148 LEU CA 1 . . . 1 10 17 . . 11062017 . 8.718347647 . 126.2000824 . 54.53913609 . A 16 ASN H A 16 ASN N A 15 LEU CA 1 . . . 1 12 21 . . 38971364 . 8.131534816 . 125.9654417 . 63.08731393 . A 85 LEU H A 85 LEU N A 84 VAL CA 1 . . . 1 13 22 . . -52246.03964 . 8.130009737 . 125.988 . 55.67125647 . A 85 LEU H A 85 LEU N A 85 LEU CA 1 . . . 1 14 23 . . 6309383 . 7.985478057 . 125.9607122 . 58.6629231 . A 97 ALA H A 97 ALA N A 96 SER CA 1 . . . 1 15 24 . . 7200830 . 8.172519383 . 125.7772566 . 55.9957203 . A 144 ALA H A 144 ALA N A 143 ARG CA 1 . . . 1 16 28 . . 13833285 . 8.419027792 . 125.5623556 . 51.8809832 . A 55 ASP H A 55 ASP N A 54 ASP CA 1 . . . 1 18 30 . . 8210754 . 9.034610779 . 125.204831 . 55.57761258 . A 11 TYR H A 11 TYR N A 10 GLN CA 1 . . . 1 20 34 . . 1913403.5 . 8.115376464 . 125.2123756 . 63.07297616 . A 139 ALA H A 139 ALA N . . . . 1 . . . 1 21 35 . . -1850942 . 8.115376464 . 125.2123756 . 58.46554529 . A 139 ALA H A 139 ALA N . . . . 1 . . . 1 22 36 . . -5216615.5 . 8.115376464 . 125.2123756 . 58.43515504 . A 139 ALA H A 139 ALA N . . . . 1 . . . 1 24 38 . . 10626440 . 9.2832526 . 125.0307915 . 54.82155808 . A 28 ALA H A 28 ALA N A 27 GLU CA 1 . . . 1 25 39 . . 10574200 . 8.184761406 . 124.8741199 . 42.28401757 . A 86 ALA H A 86 ALA N A 85 LEU CB 1 . . . 1 26 42 . . 107191352 . 8.140225008 . 124.6596424 . 58.54513796 . A 148 LEU H A 148 LEU N A 147 SER CA 1 . . . 1 28 50 . . 134739232 . 8.031551889 . 124.643279 . 61.4188271 . A 132 VAL H A 132 VAL N A 131 ILE CA 1 . . . 1 30 54 . . 310677.4043 . 8.04327607 . 125.015 . 53.04464181 . A 94 ALA H A 94 ALA N A 94 ALA CA 1 . . . 1 31 55 . . 17319650 . 7.997705685 . 124.3216229 . 55.23431905 . A 21 LYS H A 21 LYS N A 20 LEU CA 1 . . . 1 33 58 . . 19279608 . 7.759599369 . 124.2493363 . 60.5299428 . A 58 LYS H A 58 LYS N A 57 THR CA 1 . . . 1 34 61 . . 16473004 . 7.841959215 . 124.1981699 . 62.34815418 . A 27 GLU H A 27 GLU N A 26 THR CA 1 . . . 1 36 64 . . 11003206 . 8.222114901 . 124.0539907 . 58.11604519 . A 63 THR H A 63 THR N A 62 VAL CA 1 . . . 1 37 65 . . 27388188.28 . 8.201525038 . 124.071 . 32.47962075 . A 63 THR H A 63 THR N A 62 VAL CB 1 . . . 1 38 67 . . 11058641 . 8.079981853 . 123.7771382 . 61.58232821 . A 62 VAL H A 62 VAL N A 61 THR CA 1 . . . 1 40 70 . . 11420024 . 9.002883324 . 123.4370343 . 56.67336302 . A 39 LYS H A 39 LYS N A 38 PHE CA 1 . . . 1 42 72 . . 14091603 . 9.061190501 . 123.2987633 . 61.91054767 . A 42 ALA H A 42 ALA N A 41 TYR CA 1 . . . 1 43 73 . . 8307903 . 8.115246141 . 123.2599893 . 55.83815394 . A 142 LYS H A 142 LYS N A 141 GLN CA 1 . . . 1 44 99 . . 25496332 . 8.052168417 . 123.1915811 . 53.04464181 . A 95 ALA H A 95 ALA N A 94 ALA CA 1 . . . 1 45 105 . . 9208518 . 9.003729771 . 123.1581828 . 57.31149922 . A 12 LYS H A 12 LYS N A 11 TYR CA 1 . . . 1 46 106 . . 4529260.5 . 8.319062626 . 123.1309209 . 62.59187487 . A 133 ASN H A 133 ASN N A 132 VAL CA 1 . . . 1 47 110 . . 34931601.03 . 8.501177996 . 122.988 . 58.7259603 . A 71 GLU H A 71 GLU N A 70 SER CA 1 . . . 1 48 111 . . 29887.53803 . 8.500983691 . 122.988 . 57.22862926 . A 71 GLU H A 71 GLU N A 71 GLU CA 1 . . . 1 49 112 . . 121685.7076 . 8.501111607 . 122.988 . 63.86814518 . A 71 GLU H A 71 GLU N A 70 SER CB 1 . . . 1 50 113 . . -20427038.98 . 8.501054736 . 122.988 . 29.9749571 . A 71 GLU H A 71 GLU N A 71 GLU CB 1 . . . 1 51 120 . . 25744732 . 8.151063476 . 122.8940028 . 55.49587037 . A 124 LYS H A 124 LYS N A 123 LEU CA 1 . . . 1 52 122 . . 76099568 . 8.076966882 . 122.8708758 . 55.94940553 . A 106 VAL H A 106 VAL N A 105 ARG CA 1 . . . 1 53 123 . . 16616283 . 8.304165474 . 122.8285091 . 55.1991768 . A 9 LYS H A 9 LYS N A 8 MET CA 1 . . . 1 54 130 . . 64695972 . 7.934899926 . 122.5972592 . 53.47457388 . A 73 LEU H A 73 LEU N A 72 ASN CA 1 . . . 1 56 133 . . 2372649.244 . 8.063259259 . 122.4011786 . 59.11207277 . A 92 GLN H A 92 GLN N A 91 SER CA 1 . . . 1 57 134 . . 327517.4022 . 8.063259259 . 122.4011786 . 63.60109932 . A 92 GLN H A 92 GLN N A 91 SER CB 1 . . . 1 58 148 . . 2000633.625 . 8.108139881 . 122.3267108 . 63.50146772 . A 109 VAL H A 109 VAL N . . . . 1 . . . 1 59 150 . . 43403452 . 8.108139881 . 122.3267108 . 55.75553535 . A 109 VAL H A 109 VAL N A 108 GLN CA 1 . . . 1 60 153 . . 52591196 . 8.146040164 . 122.2193635 . 52.35955148 . A 101 ARG H A 101 ARG N A 100 ALA CA 1 . . . 1 61 155 . . 11366336 . 8.012390629 . 122.2260347 . 57.94897885 . A 141 GLN H A 141 GLN N A 140 PHE CA 1 . . . 1 62 159 . . 13001292 . 8.8150824 . 122.1627813 . 57.02472302 . A 44 ASP H A 44 ASP N A 43 ASN CA 1 . . . 1 64 165 . . 2605218.75 . 8.101198235 . 121.801418 . 55.68166646 . A 120 LEU H A 120 LEU N . . . . 1 . . . 1 66 172 . . 13750481 . 8.129476262 . 121.8537899 . 52.74533462 . A 31 ALA H A 31 ALA N A 30 ASP CA 1 . . . 1 67 173 . . 17010254 . 9.144671556 . 121.8087944 . 44.83409448 . A 18 LYS H A 18 LYS N A 17 GLY CA 1 . . . 1 69 177 . . 37846856 . 7.936012011 . 121.6840415 . 58.04366492 . A 75 PHE H A 75 PHE N A 74 TYR CA 1 . . . 1 70 179 . . -1193329.5 . 7.924745931 . 121.84487 . 54.55174446 . A 75 PHE H A 75 PHE N . . . . 1 . . . 1 71 181 . . -1367755.75 . 7.924627417 . 121.8523757 . 53.4400729 . A 75 PHE H A 75 PHE N . . . . 1 . . . 1 72 185 . . 9843451 . 8.119613699 . 121.5468832 . 58.8245858 . A 41 TYR H A 41 TYR N A 40 GLN CA 1 . . . 1 73 186 . . -28366230.67 . 8.118408283 . 121.486 . 38.74337304 . A 41 TYR H A 41 TYR N A 41 TYR CB 1 . . . 1 74 208 . . 20142442 . 8.015225968 . 121.4666748 . 46.9556652 . A 47 VAL H A 47 VAL N A 46 GLY CA 1 . . . 1 75 212 . . -3438521.5 . 7.927292243 . 121.5761094 . 56.76950029 . A 50 GLU H A 50 GLU N . . . . 1 . . . 1 76 216 . . 21023926 . 7.916178872 . 121.4236623 . 45.65498082 . A 50 GLU H A 50 GLU N A 49 GLY CA 1 . . . 1 77 221 . . 124375056 . 7.807086372 . 121.2960686 . 56.44557474 . A 99 VAL H A 99 VAL N A 98 LYS CA 1 . . . 1 78 225 . . 14658189 . 8.465805687 . 121.2778559 . 60.56970295 . A 53 TYR H A 53 TYR N A 52 THR CA 1 . . . 1 79 230 . . 11750123 . 8.346540028 . 121.2758945 . 66.07682533 . A 38 PHE H A 38 PHE N A 37 VAL CA 1 . . . 1 81 238 . . 22573576 . 8.094764461 . 120.98689 . 56.69308312 . A 93 MET H A 93 MET N A 92 GLN CA 1 . . . 1 82 239 . . 9141503 . 8.231225435 . 120.9134438 . 52.4898467 . A 108 GLN H A 108 GLN N A 107 ALA CA 1 . . . 1 83 241 . . 44617556 . 8.204528127 . 120.7208077 . 56.34956448 . A 56 ALA H A 56 ALA N A 55 ASP CA 1 . . . 1 84 244 . . 136150096 . 7.960444696 . 120.3410602 . 52.40195772 . A 104 VAL H A 104 VAL N A 103 ALA CA 1 . . . 1 86 249 . . 55396316 . 7.92905074 . 120.0755703 . 55.69650845 . A 74 TYR H A 74 TYR N A 73 LEU CA 1 . . . 1 87 253 . . 28982950 . 7.988247034 . 119.8090015 . 52.45220113 . A 145 TYR H A 145 TYR N A 144 ALA CA 1 . . . 1 88 255 . . 22745354 . 7.931354792 . 119.6083846 . 54.98738967 . A 10 GLN H A 10 GLN N A 9 LYS CA 1 . . . 1 89 256 . . -3700378.5 . 7.932836961 . 119.6897286 . 55.57761258 . A 10 GLN H A 10 GLN N A 10 GLN CA 1 . . . 1 90 257 . . 22167054 . 8.219285701 . 119.4809753 . 57.22862926 . A 72 ASN H A 72 ASN N A 71 GLU CA 1 . . . 1 91 258 . . 17279132 . 8.267611752 . 119.3649382 . 45.25953251 . A 23 GLU H A 23 GLU N A 22 GLY CA 1 . . . 1 93 262 . . 18767590 . 8.178481871 . 118.3447612 . 56.36223737 . A 43 ASN H A 43 ASN N A 42 ALA CA 1 . . . 1 94 263 . . 10246724 . 8.955764081 . 117.5090193 . 57.25503609 . A 61 THR H A 61 THR N A 60 PHE CA 1 . . . 1 95 264 . . 1877583.625 . 8.102131719 . 117.3957092 . 45.36493217 . A 66 SER H A 66 SER N A 65 GLY CA 1 . . . 1 96 265 . . 15107829 . 8.245745969 . 117.3579908 . 54.96947445 . A 35 GLU H A 35 GLU N A 34 ALA CA 1 . . . 1 97 267 . . 19180924 . 8.153899189 . 116.9723226 . 54.78399172 . A 33 THR H A 33 THR N A 32 ALA CA 1 . . . 1 98 268 . . 12459303 . 8.656449974 . 116.7377219 . 54.66921454 . A 24 THR H A 24 THR N A 23 GLU CA 1 . . . 1 100 272 . . 6917711 . 8.127813588 . 116.2924474 . 45.61988651 . A 70 SER H A 70 SER N A 69 GLY CA 1 . . . 1 101 273 . . 3920989.25 . 7.974838633 . 115.8914109 . 56.09315943 . A 122 THR H A 122 THR N A 121 GLN CA 1 . . . 1 102 275 . . 17647236 . 8.621399537 . 115.7263123 . 51.47996133 . A 29 VAL H A 29 VAL N A 28 ALA CA 1 . . . 1 103 276 . . 10306765 . 8.871895453 . 115.4844757 . 60.06965538 . A 26 THR H A 26 THR N A 25 THR CA 1 . . . 1 104 277 . . 12258172 . 9.130204731 . 114.9913631 . 57.83260297 . A 52 THR H A 52 THR N A 51 TRP CA 1 . . . 1 105 278 . . 7548367 . 7.980332452 . 114.6808848 . 53.11570419 . A 96 SER H A 96 SER N A 95 ALA CA 1 . . . 1 106 279 . . 5034752 . 8.026108896 . 114.5936917 . 53.33131188 . A 87 SER H A 87 SER N A 86 ALA CA 1 . . . 1 107 280 . . 13869750 . 8.665321425 . 113.3004906 . 56.49721613 . A 65 GLY H A 65 GLY N A 64 GLU CA 1 . . . 1 109 282 . . 12160999 . 7.986583667 . 112.8212417 . 60.6880423 . A 25 THR H A 25 THR N A 24 THR CA 1 . . . 1 111 284 . . 14791640 . 7.809938689 . 110.5782948 . 51.29460575 . A 17 GLY H A 17 GLY N A 16 ASN CA 1 . . . 1 112 285 . . 13445214 . 8.288847759 . 110.0855215 . 54.05191982 . A 22 GLY H A 22 GLY N A 21 LYS CA 1 . . . 1 113 286 . . 10912783 . 8.711795053 . 109.4461659 . 59.2376094 . A 19 THR H A 19 THR N A 18 LYS CA 1 . . . 1 114 287 . . 28579370 . 7.871771491 . 108.2132145 . 52.55097462 . A 49 GLY H A 49 GLY N A 48 ASP CA 1 . . . 1 116 289 . . 11623205 . 7.694249287 . 108.8276585 . 53.87619605 . A 46 GLY H A 46 GLY N A 45 ASN CA 1 . . . 1 117 290 . . 12164490 . 6.909352451 . 124.2592655 . 66.99457588 . A 34 ALA H A 34 ALA N A 33 THR CA 1 . . . 1 118 291 . . 15510461 . 7.179842138 . 121.1643166 . 59.77129328 . A 37 VAL H A 37 VAL N A 36 LYS CA 1 . . . 1 119 292 . . 16647941 . 7.344871741 . 120.2760989 . 59.91560162 . A 40 GLN H A 40 GLN N A 39 LYS CA 1 . . . 1 120 294 . . 20552884 . 6.846179667 . 117.2911023 . 59.75141998 . A 36 LYS H A 36 LYS N A 35 GLU CA 1 . . . 1 121 296 . . 36919376 . 7.255437621 . 115.6863817 . 63.45231499 . A 30 ASP H A 30 ASP N A 29 VAL CA 1 . . . 1 122 298 . . 7961695 . 7.26535329 . 115.9593014 . 57.07629 . A 45 ASN H A 45 ASN N A 44 ASP CA 1 . . . 1 123 299 . . 15968977 . 7.518465491 . 129.0797157 . 57.01986021 . A 54 ASP H A 54 ASP N A 53 TYR CA 1 . . . 1 124 300 . . 19470860 . 7.213549152 . 125.5271425 . 62.08448515 . A 20 LEU H A 20 LEU N A 19 THR CA 1 . . . 1 125 302 . . 25894924 . 6.896132337 . 103.9742561 . 55.17523171 . A 57 THR H A 57 THR N A 56 ALA CA 1 . . . 1 126 303 . . 2153600.25 . 8.219248602 . 122.9163395 . 56.62586144 . A 143 ARG H A 143 ARG N A 142 LYS CA 1 . . . 1 127 305 . . 2294143.5 . 8.0620421 . 115.1650805 . 53.64996663 . A 91 SER H A 91 SER N A 90 ALA CA 1 . . . 1 128 306 . . 114527.0951 . 8.0620421 . 115.1650805 . 63.60109932 . A 91 SER H A 91 SER N A 91 SER CB 1 . . . 1 129 307 . . -214941.8689 . 7.994968389 . 120.605 . 56.44557474 . A 98 LYS H A 98 LYS N A 98 LYS CA 1 . . . 1 130 308 . . 27301644.82 . 7.995465311 . 120.605 . 52.76843555 . A 98 LYS H A 98 LYS N A 97 ALA CA 1 . . . 1 131 309 . . -45769219.11 . 7.992588481 . 120.605 . 32.98019399 . A 98 LYS H A 98 LYS N A 98 LYS CB 1 . . . 1 133 314 . . 18491639.23 . 8.116791148 . 124.3588873 . 55.86904733 . A 90 ALA H A 90 ALA N A 89 LEU CA 1 . . . 1 134 315 . . -290465.1117 . 8.116791148 . 124.3588873 . 53.64996663 . A 90 ALA H A 90 ALA N A 90 ALA CA 1 . . . 1 135 316 . . -42740.2141 . 8.116791148 . 124.3588873 . 42.22182245 . A 90 ALA H A 90 ALA N A 89 LEU CB 1 . . . 1 136 317 . . 39809549.18 . 8.116791148 . 124.3588873 . 18.84165115 . A 90 ALA H A 90 ALA N A 90 ALA CB 1 . . . 1 137 318 . . 7770486.5 . 8.396052886 . 125.5285743 . 61.1297185 . A 115 GLN H A 115 GLN N A 114 ILE CA 1 . . . 1 138 319 . . 28358412 . 8.037627176 . 125.1042978 . 62.27772793 . A 123 LEU H A 123 LEU N A 122 THR CA 1 . . . 1 139 322 . . 38267952 . 7.916025846 . 121.0581492 . 54.54815511 . A 32 ALA H A 32 ALA N A 31 ALA CA 1 . . . 1 140 325 . . 19545210 . 7.25611136 . 111.7437528 . 57.30896465 . A 59 THR H A 59 THR N A 58 LYS CA 1 . . . 1 141 326 . . 4341548.5 . 10.29160434 . 131.5526611 . 62.3766713 . A 60 PHE H A 60 PHE N A 59 THR CA 1 . . . 1 142 328 . . 830974.4387 . 8.016375311 . 117.6685744 . 57.95821255 . A 146 SER H A 146 SER N A 145 TYR CA 1 . . . 1 143 329 . . -96739.94501 . 8.995124364 . 123.1707331 . 43.45532177 . A 12 LYS H A 12 LYS N A 11 TYR CB 1 . . . 1 ; 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 . aliased 4.69557 ppm . . . . . . 51093 7 2 . . N 15 N . aliased 30.37771 ppm . . . . . . 51093 7 3 . . C 13 CA . aliased 30.0158 ppm . . . . . . 51093 7 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 51093 7 stop_ save_