############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51418 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'BRD4 15N-NOE 600' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 10 '1H-15N heteronoe' . . . 51418 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $software_3 . . 51418 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 -0.3658 0.011888 . . . 49 GLU N . 49 GLU H 51418 1 2 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.5135 0.033378 . . . 55 LYS N . 55 LYS H 51418 1 3 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 -0.2027 0.04996 . . . 57 LYS N . 57 LYS H 51418 1 4 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 -0.4148 0.070255 . . . 58 ARG N . 58 ARG H 51418 1 5 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 -0.4516 0.1025 . . . 60 THR N . 60 THR H 51418 1 6 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8551 0.06171 . . . 63 LEU N . 63 LEU H 51418 1 7 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.9322 0.035085 . . . 64 GLN N . 64 GLN H 51418 1 8 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.8032 0.030896 . . . 65 TYR N . 65 TYR H 51418 1 9 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.84 0.033176 . . . 67 LEU N . 67 LEU H 51418 1 10 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.8521 0.040975 . . . 68 ARG N . 68 ARG H 51418 1 11 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.872 0.042735 . . . 69 VAL N . 69 VAL H 51418 1 12 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.822 0.038026 . . . 70 VAL N . 70 VAL H 51418 1 13 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.8484 0.033171 . . . 71 LEU N . 71 LEU H 51418 1 14 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.8198 0.049136 . . . 72 LYS N . 72 LYS H 51418 1 15 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.7749 0.033968 . . . 73 THR N . 73 THR H 51418 1 16 . 1 1 32 32 TRP N N 15 . 1 1 32 32 TRP H H 1 0.8539 0.034076 . . . 75 TRP N . 75 TRP H 51418 1 17 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.772 0.03657 . . . 76 LYS N . 76 LYS H 51418 1 18 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.881 0.040135 . . . 78 GLN N . 78 GLN H 51418 1 19 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.8346 0.04798 . . . 79 PHE N . 79 PHE H 51418 1 20 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.8099 0.026615 . . . 80 ALA N . 80 ALA H 51418 1 21 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.869 0.019952 . . . 81 TRP N . 81 TRP H 51418 1 22 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.811 0.03224 . . . 83 PHE N . 83 PHE H 51418 1 23 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.8006 0.025888 . . . 85 GLN N . 85 GLN H 51418 1 24 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.8046 0.024482 . . . 87 VAL N . 87 VAL H 51418 1 25 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.7263 0.046335 . . . 88 ASP N . 88 ASP H 51418 1 26 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.6676 0.040604 . . . 89 ALA N . 89 ALA H 51418 1 27 . 1 1 47 47 VAL N N 15 . 1 1 47 47 VAL H H 1 0.7416 0.047159 . . . 90 VAL N . 90 VAL H 51418 1 28 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.6688 0.034841 . . . 91 LYS N . 91 LYS H 51418 1 29 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 0.7442 0.024762 . . . 93 ASN N . 93 ASN H 51418 1 30 . 1 1 51 51 LEU N N 15 . 1 1 51 51 LEU H H 1 0.7272 0.028045 . . . 94 LEU N . 94 LEU H 51418 1 31 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 0.8278 0.05026 . . . 98 TYR N . 98 TYR H 51418 1 32 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.6692 0.038251 . . . 99 LYS N . 99 LYS H 51418 1 33 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.72 0.038772 . . . 100 ILE N . 100 ILE H 51418 1 34 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.7206 0.028378 . . . 102 LYS N . 102 LYS H 51418 1 35 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.6993 0.031218 . . . 103 THR N . 103 THR H 51418 1 36 . 1 1 62 62 MET N N 15 . 1 1 62 62 MET H H 1 0.8265 0.05226 . . . 105 MET N . 105 MET H 51418 1 37 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.8356 0.02223 . . . 106 ASP N . 106 ASP H 51418 1 38 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.8911 0.030604 . . . 107 MET N . 107 MET H 51418 1 39 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.8289 0.047075 . . . 108 GLY N . 108 GLY H 51418 1 40 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.8572 0.032048 . . . 110 ILE N . 110 ILE H 51418 1 41 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.8794 0.030998 . . . 111 LYS N . 111 LYS H 51418 1 42 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.8601 0.036595 . . . 112 LYS N . 112 LYS H 51418 1 43 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.8689 0.049983 . . . 113 ARG N . 113 ARG H 51418 1 44 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.848 0.039483 . . . 114 LEU N . 114 LEU H 51418 1 45 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.7072 0.035379 . . . 115 GLU N . 115 GLU H 51418 1 46 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.7475 0.044121 . . . 116 ASN N . 116 ASN H 51418 1 47 . 1 1 75 75 TYR N N 15 . 1 1 75 75 TYR H H 1 0.8254 0.040699 . . . 118 TYR N . 118 TYR H 51418 1 48 . 1 1 76 76 TYR N N 15 . 1 1 76 76 TYR H H 1 0.7787 0.029944 . . . 119 TYR N . 119 TYR H 51418 1 49 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.7434 0.046001 . . . 120 TRP N . 120 TRP H 51418 1 50 . 1 1 78 78 ASN N N 15 . 1 1 78 78 ASN H H 1 0.7625 0.070648 . . . 121 ASN N . 121 ASN H 51418 1 51 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.8142 0.058631 . . . 122 ALA N . 122 ALA H 51418 1 52 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.9204 0.046414 . . . 125 CYS N . 125 CYS H 51418 1 53 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 0.7396 0.036333 . . . 126 ILE N . 126 ILE H 51418 1 54 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN H H 1 0.741 0.026912 . . . 127 GLN N . 127 GLN H 51418 1 55 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.8769 0.02963 . . . 128 ASP N . 128 ASP H 51418 1 56 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.8714 0.03188 . . . 130 ASN N . 130 ASN H 51418 1 57 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.8001 0.032462 . . . 131 THR N . 131 THR H 51418 1 58 . 1 1 89 89 MET N N 15 . 1 1 89 89 MET H H 1 0.843 0.031448 . . . 132 MET N . 132 MET H 51418 1 59 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.8481 0.032907 . . . 133 PHE N . 133 PHE H 51418 1 60 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.7877 0.038693 . . . 134 THR N . 134 THR H 51418 1 61 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.8584 0.029898 . . . 135 ASN N . 135 ASN H 51418 1 62 . 1 1 94 94 TYR N N 15 . 1 1 94 94 TYR H H 1 0.7739 0.028906 . . . 137 TYR N . 137 TYR H 51418 1 63 . 1 1 95 95 ILE N N 15 . 1 1 95 95 ILE H H 1 0.7687 0.033061 . . . 138 ILE N . 138 ILE H 51418 1 64 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.807 0.029203 . . . 140 ASN N . 140 ASN H 51418 1 65 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.6641 0.018607 . . . 143 GLY N . 143 GLY H 51418 1 66 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.7809 0.020225 . . . 145 ASP N . 145 ASP H 51418 1 67 . 1 1 103 103 ILE N N 15 . 1 1 103 103 ILE H H 1 0.7873 0.02277 . . . 146 ILE N . 146 ILE H 51418 1 68 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.9107 0.042163 . . . 147 VAL N . 147 VAL H 51418 1 69 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.8051 0.031224 . . . 148 LEU N . 148 LEU H 51418 1 70 . 1 1 106 106 MET N N 15 . 1 1 106 106 MET H H 1 0.8836 0.036497 . . . 149 MET N . 149 MET H 51418 1 71 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.841 0.031937 . . . 151 GLU N . 151 GLU H 51418 1 72 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.8907 0.027391 . . . 152 ALA N . 152 ALA H 51418 1 73 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.8426 0.03536 . . . 153 LEU N . 153 LEU H 51418 1 74 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.781 0.027088 . . . 154 GLU N . 154 GLU H 51418 1 75 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.8343 0.031466 . . . 155 LYS N . 155 LYS H 51418 1 76 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.8433 0.033078 . . . 156 LEU N . 156 LEU H 51418 1 77 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.8628 0.034103 . . . 157 PHE N . 157 PHE H 51418 1 78 . 1 1 116 116 GLN N N 15 . 1 1 116 116 GLN H H 1 0.8395 0.028451 . . . 159 GLN N . 159 GLN H 51418 1 79 . 1 1 117 117 LYS N N 15 . 1 1 117 117 LYS H H 1 0.9173 0.042485 . . . 160 LYS N . 160 LYS H 51418 1 80 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.768 0.033626 . . . 161 ILE N . 161 ILE H 51418 1 81 . 1 1 119 119 ASN N N 15 . 1 1 119 119 ASN H H 1 0.7985 0.02819 . . . 162 ASN N . 162 ASN H 51418 1 82 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.7698 0.030009 . . . 164 LEU N . 164 LEU H 51418 1 83 . 1 1 132 132 GLN N N 15 . 1 1 132 132 GLN H H 1 0.2007 0.050963 . . . 175 GLN N . 175 GLN H 51418 1 84 . 1 1 143 143 THR N N 15 . 1 1 143 143 THR H H 1 -0.5143 0.20598 . . . 186 THR N . 186 THR H 51418 1 85 . 1 1 145 145 THR N N 15 . 1 1 145 145 THR H H 1 -0.8111 0.21676 . . . 188 THR N . 188 THR H 51418 1 86 . 1 1 146 146 ALA N N 15 . 1 1 146 146 ALA H H 1 -0.7396 0.083958 . . . 189 ALA N . 189 ALA H 51418 1 87 . 1 1 149 149 GLY N N 15 . 1 1 149 149 GLY H H 1 -0.5708 0.046819 . . . 192 GLY N . 192 GLY H 51418 1 88 . 1 1 151 151 SER N N 15 . 1 1 151 151 SER H H 1 -0.2811 0.018741 . . . 194 SER N . 194 SER H 51418 1 89 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 -0.4967 0.014151 . . . 196 VAL N . 196 VAL H 51418 1 90 . 1 1 155 155 ASN N N 15 . 1 1 155 155 ASN H H 1 -0.6222 0.082437 . . . 198 ASN N . 198 ASN H 51418 1 91 . 1 1 156 156 THR N N 15 . 1 1 156 156 THR H H 1 -0.4118 0.060261 . . . 199 THR N . 199 THR H 51418 1 92 . 1 1 158 158 GLN N N 15 . 1 1 158 158 GLN H H 1 -0.602 0.077583 . . . 201 GLN N . 201 GLN H 51418 1 93 . 1 1 159 159 ALA N N 15 . 1 1 159 159 ALA H H 1 -0.6992 0.056312 . . . 202 ALA N . 202 ALA H 51418 1 94 . 1 1 160 160 SER N N 15 . 1 1 160 160 SER H H 1 -0.6911 0.11772 . . . 203 SER N . 203 SER H 51418 1 95 . 1 1 161 161 THR N N 15 . 1 1 161 161 THR H H 1 -0.6543 0.053958 . . . 204 THR N . 204 THR H 51418 1 96 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 -0.7581 0.051542 . . . 210 THR N . 210 THR H 51418 1 97 . 1 1 184 184 ALA N N 15 . 1 1 184 184 ALA H H 1 -0.4787 0.022299 . . . 227 ALA N . 227 ALA H 51418 1 98 . 1 1 185 185 VAL N N 15 . 1 1 185 185 VAL H H 1 -0.338 0.015966 . . . 228 VAL N . 228 VAL H 51418 1 99 . 1 1 186 186 THR N N 15 . 1 1 186 186 THR H H 1 -0.3109 0.015241 . . . 229 THR N . 229 THR H 51418 1 100 . 1 1 188 188 ASP N N 15 . 1 1 188 188 ASP H H 1 -0.4092 0.011255 . . . 231 ASP N . 231 ASP H 51418 1 101 . 1 1 190 190 ILE N N 15 . 1 1 190 190 ILE H H 1 -0.533 0.010923 . . . 233 ILE N . 233 ILE H 51418 1 102 . 1 1 191 191 VAL N N 15 . 1 1 191 191 VAL H H 1 -0.2957 0.010142 . . . 234 VAL N . 234 VAL H 51418 1 103 . 1 1 192 192 GLN N N 15 . 1 1 192 192 GLN H H 1 -0.4434 0.019233 . . . 235 GLN N . 235 GLN H 51418 1 104 . 1 1 195 195 VAL N N 15 . 1 1 195 195 VAL H H 1 -0.4042 0.010997 . . . 238 VAL N . 238 VAL H 51418 1 105 . 1 1 197 197 THR N N 15 . 1 1 197 197 THR H H 1 -0.4694 0.040828 . . . 240 THR N . 240 THR H 51418 1 106 . 1 1 198 198 VAL N N 15 . 1 1 198 198 VAL H H 1 -0.3857 0.016628 . . . 241 VAL N . 241 VAL H 51418 1 107 . 1 1 199 199 VAL N N 15 . 1 1 199 199 VAL H H 1 -0.5084 0.011328 . . . 242 VAL N . 242 VAL H 51418 1 108 . 1 1 206 206 THR N N 15 . 1 1 206 206 THR H H 1 -0.4766 0.033184 . . . 249 THR N . 249 THR H 51418 1 109 . 1 1 231 231 ILE N N 15 . 1 1 231 231 ILE H H 1 -0.4989 0.01197 . . . 274 ILE N . 274 ILE H 51418 1 110 . 1 1 232 232 ILE N N 15 . 1 1 232 232 ILE H H 1 -0.5543 0.013979 . . . 275 ILE N . 275 ILE H 51418 1 111 . 1 1 233 233 ALA N N 15 . 1 1 233 233 ALA H H 1 -0.6246 0.021387 . . . 276 ALA N . 276 ALA H 51418 1 112 . 1 1 234 234 ALA N N 15 . 1 1 234 234 ALA H H 1 -0.4573 0.016331 . . . 277 ALA N . 277 ALA H 51418 1 113 . 1 1 235 235 THR N N 15 . 1 1 235 235 THR H H 1 -0.2704 0.1401 . . . 278 THR N . 278 THR H 51418 1 114 . 1 1 243 243 LYS N N 15 . 1 1 243 243 LYS H H 1 -0.3088 0.032349 . . . 286 LYS N . 286 LYS H 51418 1 115 . 1 1 244 244 GLY N N 15 . 1 1 244 244 GLY H H 1 -0.3381 0.087261 . . . 287 GLY N . 287 GLY H 51418 1 116 . 1 1 249 249 ALA N N 15 . 1 1 249 249 ALA H H 1 -0.4322 0.096095 . . . 292 ALA N . 292 ALA H 51418 1 117 . 1 1 250 250 ASP N N 15 . 1 1 250 250 ASP H H 1 -0.5897 0.054463 . . . 293 ASP N . 293 ASP H 51418 1 118 . 1 1 251 251 THR N N 15 . 1 1 251 251 THR H H 1 0.5414 0.043837 . . . 294 THR N . 294 THR H 51418 1 119 . 1 1 252 252 THR N N 15 . 1 1 252 252 THR H H 1 0.3383 0.018891 . . . 295 THR N . 295 THR H 51418 1 120 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 -0.4393 0.029397 . . . 298 THR N . 298 THR H 51418 1 121 . 1 1 256 256 THR N N 15 . 1 1 256 256 THR H H 1 -0.3764 0.047812 . . . 299 THR N . 299 THR H 51418 1 122 . 1 1 257 257 ILE N N 15 . 1 1 257 257 ILE H H 1 -0.2411 0.01463 . . . 300 ILE N . 300 ILE H 51418 1 123 . 1 1 258 258 ASP N N 15 . 1 1 258 258 ASP H H 1 -0.3484 0.012196 . . . 301 ASP N . 301 ASP H 51418 1 124 . 1 1 260 260 ILE N N 15 . 1 1 260 260 ILE H H 1 -0.129 0.010503 . . . 303 ILE N . 303 ILE H 51418 1 125 . 1 1 261 261 HIS N N 15 . 1 1 261 261 HIS H H 1 -0.2698 0.039288 . . . 304 HIS N . 304 HIS H 51418 1 126 . 1 1 265 265 SER N N 15 . 1 1 265 265 SER H H 1 -0.3559 0.026984 . . . 308 SER N . 308 SER H 51418 1 127 . 1 1 266 266 LEU N N 15 . 1 1 266 266 LEU H H 1 -0.2516 0.014996 . . . 309 LEU N . 309 LEU H 51418 1 128 . 1 1 272 272 THR N N 15 . 1 1 272 272 THR H H 1 0.6878 0.023291 . . . 315 THR N . 315 THR H 51418 1 129 . 1 1 289 289 LYS N N 15 . 1 1 289 289 LYS H H 1 -0.2034 0.02117 . . . 332 LYS N . 332 LYS H 51418 1 130 . 1 1 290 290 LYS N N 15 . 1 1 290 290 LYS H H 1 -0.3068 0.046671 . . . 333 LYS N . 333 LYS H 51418 1 131 . 1 1 291 291 ASP N N 15 . 1 1 291 291 ASP H H 1 -0.2878 0.040676 . . . 334 ASP N . 334 ASP H 51418 1 132 . 1 1 292 292 VAL N N 15 . 1 1 292 292 VAL H H 1 -0.3982 0.01384 . . . 335 VAL N . 335 VAL H 51418 1 133 . 1 1 295 295 SER N N 15 . 1 1 295 295 SER H H 1 -0.2567 0.059227 . . . 338 SER N . 338 SER H 51418 1 134 . 1 1 300 300 ALA N N 15 . 1 1 300 300 ALA H H 1 -0.1486 0.017002 . . . 343 ALA N . 343 ALA H 51418 1 135 . 1 1 302 302 GLU N N 15 . 1 1 302 302 GLU H H 1 -0.0695 0.017412 . . . 345 GLU N . 345 GLU H 51418 1 136 . 1 1 304 304 SER N N 15 . 1 1 304 304 SER H H 1 0.2411 0.1441 . . . 347 SER N . 347 SER H 51418 1 137 . 1 1 307 307 VAL N N 15 . 1 1 307 307 VAL H H 1 0.5341 0.035797 . . . 350 VAL N . 350 VAL H 51418 1 138 . 1 1 308 308 SER N N 15 . 1 1 308 308 SER H H 1 0.7221 0.053681 . . . 351 SER N . 351 SER H 51418 1 139 . 1 1 309 309 GLU N N 15 . 1 1 309 309 GLU H H 1 0.6721 0.091224 . . . 352 GLU N . 352 GLU H 51418 1 140 . 1 1 310 310 GLN N N 15 . 1 1 310 310 GLN H H 1 0.9219 0.082117 . . . 353 GLN N . 353 GLN H 51418 1 141 . 1 1 311 311 LEU N N 15 . 1 1 311 311 LEU H H 1 0.8191 0.057435 . . . 354 LEU N . 354 LEU H 51418 1 142 . 1 1 312 312 LYS N N 15 . 1 1 312 312 LYS H H 1 0.8016 0.045508 . . . 355 LYS N . 355 LYS H 51418 1 143 . 1 1 313 313 CYS N N 15 . 1 1 313 313 CYS H H 1 0.6644 0.031294 . . . 356 CYS N . 356 CYS H 51418 1 144 . 1 1 316 316 GLY N N 15 . 1 1 316 316 GLY H H 1 0.9121 0.052072 . . . 359 GLY N . 359 GLY H 51418 1 145 . 1 1 317 317 ILE N N 15 . 1 1 317 317 ILE H H 1 0.7466 0.044139 . . . 360 ILE N . 360 ILE H 51418 1 146 . 1 1 319 319 LYS N N 15 . 1 1 319 319 LYS H H 1 0.6467 0.032214 . . . 362 LYS N . 362 LYS H 51418 1 147 . 1 1 320 320 GLU N N 15 . 1 1 320 320 GLU H H 1 0.8497 0.047192 . . . 363 GLU N . 363 GLU H 51418 1 148 . 1 1 321 321 MET N N 15 . 1 1 321 321 MET H H 1 0.8497 0.048393 . . . 364 MET N . 364 MET H 51418 1 149 . 1 1 322 322 PHE N N 15 . 1 1 322 322 PHE H H 1 0.774 0.04486 . . . 365 PHE N . 365 PHE H 51418 1 150 . 1 1 327 327 ALA N N 15 . 1 1 327 327 ALA H H 1 0.7594 0.041462 . . . 370 ALA N . 370 ALA H 51418 1 151 . 1 1 329 329 TYR N N 15 . 1 1 329 329 TYR H H 1 0.8966 0.12173 . . . 372 TYR N . 372 TYR H 51418 1 152 . 1 1 331 331 TRP N N 15 . 1 1 331 331 TRP H H 1 0.8277 0.043047 . . . 374 TRP N . 374 TRP H 51418 1 153 . 1 1 333 333 PHE N N 15 . 1 1 333 333 PHE H H 1 0.7717 0.038674 . . . 376 PHE N . 376 PHE H 51418 1 154 . 1 1 334 334 TYR N N 15 . 1 1 334 334 TYR H H 1 0.8176 0.045412 . . . 377 TYR N . 377 TYR H 51418 1 155 . 1 1 335 335 LYS N N 15 . 1 1 335 335 LYS H H 1 0.7556 0.03131 . . . 378 LYS N . 378 LYS H 51418 1 156 . 1 1 337 337 VAL N N 15 . 1 1 337 337 VAL H H 1 0.771 0.025503 . . . 380 VAL N . 380 VAL H 51418 1 157 . 1 1 338 338 ASP N N 15 . 1 1 338 338 ASP H H 1 0.6251 0.021596 . . . 381 ASP N . 381 ASP H 51418 1 158 . 1 1 339 339 VAL N N 15 . 1 1 339 339 VAL H H 1 0.6035 0.029658 . . . 382 VAL N . 382 VAL H 51418 1 159 . 1 1 341 341 ALA N N 15 . 1 1 341 341 ALA H H 1 0.6581 0.033475 . . . 384 ALA N . 384 ALA H 51418 1 160 . 1 1 343 343 GLY N N 15 . 1 1 343 343 GLY H H 1 0.5597 0.070083 . . . 386 GLY N . 386 GLY H 51418 1 161 . 1 1 344 344 LEU N N 15 . 1 1 344 344 LEU H H 1 0.672 0.029216 . . . 387 LEU N . 387 LEU H 51418 1 162 . 1 1 347 347 TYR N N 15 . 1 1 347 347 TYR H H 1 0.761 0.038408 . . . 390 TYR N . 390 TYR H 51418 1 163 . 1 1 348 348 CYS N N 15 . 1 1 348 348 CYS H H 1 0.8699 0.048599 . . . 391 CYS N . 391 CYS H 51418 1 164 . 1 1 349 349 ASP N N 15 . 1 1 349 349 ASP H H 1 0.7141 0.065273 . . . 392 ASP N . 392 ASP H 51418 1 165 . 1 1 350 350 ILE N N 15 . 1 1 350 350 ILE H H 1 0.6461 0.050587 . . . 393 ILE N . 393 ILE H 51418 1 166 . 1 1 356 356 ASP N N 15 . 1 1 356 356 ASP H H 1 0.8649 0.032509 . . . 399 ASP N . 399 ASP H 51418 1 167 . 1 1 357 357 MET N N 15 . 1 1 357 357 MET H H 1 0.8042 0.033145 . . . 400 MET N . 400 MET H 51418 1 168 . 1 1 358 358 SER N N 15 . 1 1 358 358 SER H H 1 0.7685 0.044996 . . . 401 SER N . 401 SER H 51418 1 169 . 1 1 360 360 ILE N N 15 . 1 1 360 360 ILE H H 1 0.8361 0.046067 . . . 403 ILE N . 403 ILE H 51418 1 170 . 1 1 361 361 LYS N N 15 . 1 1 361 361 LYS H H 1 0.8982 0.043706 . . . 404 LYS N . 404 LYS H 51418 1 171 . 1 1 362 362 SER N N 15 . 1 1 362 362 SER H H 1 0.8402 0.039487 . . . 405 SER N . 405 SER H 51418 1 172 . 1 1 364 364 LEU N N 15 . 1 1 364 364 LEU H H 1 0.8137 0.044379 . . . 407 LEU N . 407 LEU H 51418 1 173 . 1 1 365 365 GLU N N 15 . 1 1 365 365 GLU H H 1 0.876 0.044016 . . . 408 GLU N . 408 GLU H 51418 1 174 . 1 1 366 366 ALA N N 15 . 1 1 366 366 ALA H H 1 0.8722 0.039117 . . . 409 ALA N . 409 ALA H 51418 1 175 . 1 1 367 367 ARG N N 15 . 1 1 367 367 ARG H H 1 0.7818 0.033399 . . . 410 ARG N . 410 ARG H 51418 1 176 . 1 1 369 369 TYR N N 15 . 1 1 369 369 TYR H H 1 0.7236 0.029605 . . . 412 TYR N . 412 TYR H 51418 1 177 . 1 1 370 370 ARG N N 15 . 1 1 370 370 ARG H H 1 0.7858 0.032556 . . . 413 ARG N . 413 ARG H 51418 1 178 . 1 1 371 371 ASP N N 15 . 1 1 371 371 ASP H H 1 0.7937 0.037644 . . . 414 ASP N . 414 ASP H 51418 1 179 . 1 1 372 372 ALA N N 15 . 1 1 372 372 ALA H H 1 0.7923 0.035966 . . . 415 ALA N . 415 ALA H 51418 1 180 . 1 1 373 373 GLN N N 15 . 1 1 373 373 GLN H H 1 0.8346 0.051423 . . . 416 GLN N . 416 GLN H 51418 1 181 . 1 1 375 375 PHE N N 15 . 1 1 375 375 PHE H H 1 0.8386 0.048172 . . . 418 PHE N . 418 PHE H 51418 1 182 . 1 1 376 376 GLY N N 15 . 1 1 376 376 GLY H H 1 0.8017 0.05456 . . . 419 GLY N . 419 GLY H 51418 1 183 . 1 1 378 378 ASP N N 15 . 1 1 378 378 ASP H H 1 0.8317 0.045071 . . . 421 ASP N . 421 ASP H 51418 1 184 . 1 1 379 379 VAL N N 15 . 1 1 379 379 VAL H H 1 0.814 0.042785 . . . 422 VAL N . 422 VAL H 51418 1 185 . 1 1 380 380 ARG N N 15 . 1 1 380 380 ARG H H 1 0.8463 0.068438 . . . 423 ARG N . 423 ARG H 51418 1 186 . 1 1 382 382 MET N N 15 . 1 1 382 382 MET H H 1 0.8151 0.054857 . . . 425 MET N . 425 MET H 51418 1 187 . 1 1 383 383 PHE N N 15 . 1 1 383 383 PHE H H 1 0.8571 0.069955 . . . 426 PHE N . 426 PHE H 51418 1 188 . 1 1 386 386 CYS N N 15 . 1 1 386 386 CYS H H 1 0.8588 0.053799 . . . 429 CYS N . 429 CYS H 51418 1 189 . 1 1 390 390 ASN N N 15 . 1 1 390 390 ASN H H 1 0.9528 0.12634 . . . 433 ASN N . 433 ASN H 51418 1 190 . 1 1 393 393 ASP N N 15 . 1 1 393 393 ASP H H 1 0.8931 0.054229 . . . 436 ASP N . 436 ASP H 51418 1 191 . 1 1 394 394 HIS N N 15 . 1 1 394 394 HIS H H 1 0.9474 0.080711 . . . 437 HIS N . 437 HIS H 51418 1 192 . 1 1 395 395 GLU N N 15 . 1 1 395 395 GLU H H 1 0.771 0.046011 . . . 438 GLU N . 438 GLU H 51418 1 193 . 1 1 396 396 VAL N N 15 . 1 1 396 396 VAL H H 1 0.7863 0.14716 . . . 439 VAL N . 439 VAL H 51418 1 194 . 1 1 397 397 VAL N N 15 . 1 1 397 397 VAL H H 1 0.8121 0.054253 . . . 440 VAL N . 440 VAL H 51418 1 195 . 1 1 398 398 ALA N N 15 . 1 1 398 398 ALA H H 1 0.6543 0.083759 . . . 441 ALA N . 441 ALA H 51418 1 196 . 1 1 399 399 MET N N 15 . 1 1 399 399 MET H H 1 0.8986 0.055087 . . . 442 MET N . 442 MET H 51418 1 197 . 1 1 400 400 ALA N N 15 . 1 1 400 400 ALA H H 1 0.9052 0.070128 . . . 443 ALA N . 443 ALA H 51418 1 198 . 1 1 402 402 LYS N N 15 . 1 1 402 402 LYS H H 1 0.7336 0.10113 . . . 445 LYS N . 445 LYS H 51418 1 199 . 1 1 404 404 GLN N N 15 . 1 1 404 404 GLN H H 1 0.9567 0.13879 . . . 447 GLN N . 447 GLN H 51418 1 200 . 1 1 407 407 PHE N N 15 . 1 1 407 407 PHE H H 1 0.9523 0.068834 . . . 450 PHE N . 450 PHE H 51418 1 201 . 1 1 408 408 GLU N N 15 . 1 1 408 408 GLU H H 1 0.9827 0.11181 . . . 451 GLU N . 451 GLU H 51418 1 202 . 1 1 410 410 ARG N N 15 . 1 1 410 410 ARG H H 1 0.6229 0.082526 . . . 453 ARG N . 453 ARG H 51418 1 203 . 1 1 411 411 PHE N N 15 . 1 1 411 411 PHE H H 1 0.6177 0.074554 . . . 454 PHE N . 454 PHE H 51418 1 204 . 1 1 412 412 ALA N N 15 . 1 1 412 412 ALA H H 1 0.7917 0.041412 . . . 455 ALA N . 455 ALA H 51418 1 205 . 1 1 417 417 GLU N N 15 . 1 1 417 417 GLU H H 1 0.0916 0.022517 . . . 460 GLU N . 460 GLU H 51418 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 51418 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name 'BRD4 15N-NOE 800' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 11 '1H-15N heteronoe' . . . 51418 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $software_3 . . 51418 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 0.1222 0.014113 . . . 49 GLU N . 49 GLU H 51418 2 2 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.5567 0.043412 . . . 55 LYS N . 55 LYS H 51418 2 3 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.3565 0.046559 . . . 57 LYS N . 57 LYS H 51418 2 4 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 0.1938 0.038234 . . . 58 ARG N . 58 ARG H 51418 2 5 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8248 0.049552 . . . 63 LEU N . 63 LEU H 51418 2 6 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 1.035 0.046728 . . . 65 TYR N . 65 TYR H 51418 2 7 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.8756 0.043581 . . . 68 ARG N . 68 ARG H 51418 2 8 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.8675 0.044707 . . . 69 VAL N . 69 VAL H 51418 2 9 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.833 0.03604 . . . 70 VAL N . 70 VAL H 51418 2 10 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.9893 0.041707 . . . 71 LEU N . 71 LEU H 51418 2 11 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.8359 0.035783 . . . 72 LYS N . 72 LYS H 51418 2 12 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.886 0.0348 . . . 73 THR N . 73 THR H 51418 2 13 . 1 1 32 32 TRP N N 15 . 1 1 32 32 TRP H H 1 0.7849 0.030893 . . . 75 TRP N . 75 TRP H 51418 2 14 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.8387 0.041219 . . . 76 LYS N . 76 LYS H 51418 2 15 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.943 0.046032 . . . 78 GLN N . 78 GLN H 51418 2 16 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.7649 0.052099 . . . 79 PHE N . 79 PHE H 51418 2 17 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.8794 0.031424 . . . 80 ALA N . 80 ALA H 51418 2 18 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.902 0.028041 . . . 81 TRP N . 81 TRP H 51418 2 19 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.9443 0.044993 . . . 83 PHE N . 83 PHE H 51418 2 20 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.8195 0.027752 . . . 85 GLN N . 85 GLN H 51418 2 21 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.7866 0.035266 . . . 87 VAL N . 87 VAL H 51418 2 22 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.7258 0.047413 . . . 88 ASP N . 88 ASP H 51418 2 23 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.8035 0.044587 . . . 89 ALA N . 89 ALA H 51418 2 24 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.9033 0.0475 . . . 91 LYS N . 91 LYS H 51418 2 25 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 0.7748 0.030855 . . . 93 ASN N . 93 ASN H 51418 2 26 . 1 1 51 51 LEU N N 15 . 1 1 51 51 LEU H H 1 0.8819 0.036198 . . . 94 LEU N . 94 LEU H 51418 2 27 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 0.9324 0.072498 . . . 98 TYR N . 98 TYR H 51418 2 28 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.7717 0.037821 . . . 99 LYS N . 99 LYS H 51418 2 29 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.8864 0.041517 . . . 100 ILE N . 100 ILE H 51418 2 30 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.7681 0.032801 . . . 102 LYS N . 102 LYS H 51418 2 31 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.8227 0.037614 . . . 103 THR N . 103 THR H 51418 2 32 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.936 0.025246 . . . 106 ASP N . 106 ASP H 51418 2 33 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.9083 0.036281 . . . 107 MET N . 107 MET H 51418 2 34 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.7432 0.044581 . . . 108 GLY N . 108 GLY H 51418 2 35 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.8546 0.028906 . . . 110 ILE N . 110 ILE H 51418 2 36 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.8955 0.03579 . . . 112 LYS N . 112 LYS H 51418 2 37 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.8895 0.05729 . . . 113 ARG N . 113 ARG H 51418 2 38 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.9252 0.045528 . . . 114 LEU N . 114 LEU H 51418 2 39 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.7921 0.040144 . . . 115 GLU N . 115 GLU H 51418 2 40 . 1 1 75 75 TYR N N 15 . 1 1 75 75 TYR H H 1 0.8926 0.056109 . . . 118 TYR N . 118 TYR H 51418 2 41 . 1 1 76 76 TYR N N 15 . 1 1 76 76 TYR H H 1 0.9358 0.046152 . . . 119 TYR N . 119 TYR H 51418 2 42 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.946 0.061559 . . . 120 TRP N . 120 TRP H 51418 2 43 . 1 1 78 78 ASN N N 15 . 1 1 78 78 ASN H H 1 0.7473 0.073494 . . . 121 ASN N . 121 ASN H 51418 2 44 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.8798 0.069615 . . . 122 ALA N . 122 ALA H 51418 2 45 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.8443 0.036388 . . . 125 CYS N . 125 CYS H 51418 2 46 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN H H 1 0.8926 0.039598 . . . 127 GLN N . 127 GLN H 51418 2 47 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.9 0.037317 . . . 128 ASP N . 128 ASP H 51418 2 48 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.9072 0.039129 . . . 130 ASN N . 130 ASN H 51418 2 49 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.8441 0.030578 . . . 131 THR N . 131 THR H 51418 2 50 . 1 1 89 89 MET N N 15 . 1 1 89 89 MET H H 1 0.9762 0.038363 . . . 132 MET N . 132 MET H 51418 2 51 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.9045 0.037003 . . . 133 PHE N . 133 PHE H 51418 2 52 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.8781 0.047477 . . . 134 THR N . 134 THR H 51418 2 53 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.8311 0.032666 . . . 135 ASN N . 135 ASN H 51418 2 54 . 1 1 94 94 TYR N N 15 . 1 1 94 94 TYR H H 1 0.829 0.030557 . . . 137 TYR N . 137 TYR H 51418 2 55 . 1 1 95 95 ILE N N 15 . 1 1 95 95 ILE H H 1 0.8863 0.047903 . . . 138 ILE N . 138 ILE H 51418 2 56 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.8121 0.032791 . . . 140 ASN N . 140 ASN H 51418 2 57 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.7872 0.024892 . . . 143 GLY N . 143 GLY H 51418 2 58 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.786 0.023681 . . . 145 ASP N . 145 ASP H 51418 2 59 . 1 1 103 103 ILE N N 15 . 1 1 103 103 ILE H H 1 0.8552 0.031469 . . . 146 ILE N . 146 ILE H 51418 2 60 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.8198 0.033612 . . . 147 VAL N . 147 VAL H 51418 2 61 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.8479 0.035935 . . . 148 LEU N . 148 LEU H 51418 2 62 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.899 0.03498 . . . 151 GLU N . 151 GLU H 51418 2 63 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.9936 0.035576 . . . 152 ALA N . 152 ALA H 51418 2 64 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 1.0162 0.044337 . . . 153 LEU N . 153 LEU H 51418 2 65 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.956 0.031165 . . . 154 GLU N . 154 GLU H 51418 2 66 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.9461 0.034293 . . . 156 LEU N . 156 LEU H 51418 2 67 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.8993 0.033072 . . . 157 PHE N . 157 PHE H 51418 2 68 . 1 1 116 116 GLN N N 15 . 1 1 116 116 GLN H H 1 0.9644 0.037391 . . . 159 GLN N . 159 GLN H 51418 2 69 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.829 0.041228 . . . 161 ILE N . 161 ILE H 51418 2 70 . 1 1 119 119 ASN N N 15 . 1 1 119 119 ASN H H 1 0.8618 0.029601 . . . 162 ASN N . 162 ASN H 51418 2 71 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.839 0.039802 . . . 164 LEU N . 164 LEU H 51418 2 72 . 1 1 132 132 GLN N N 15 . 1 1 132 132 GLN H H 1 0.2366 0.032889 . . . 175 GLN N . 175 GLN H 51418 2 73 . 1 1 144 144 GLY N N 15 . 1 1 144 144 GLY H H 1 -0.2481 0.13552 . . . 187 GLY N . 187 GLY H 51418 2 74 . 1 1 145 145 THR N N 15 . 1 1 145 145 THR H H 1 -0.1005 0.058194 . . . 188 THR N . 188 THR H 51418 2 75 . 1 1 146 146 ALA N N 15 . 1 1 146 146 ALA H H 1 -0.1483 0.037416 . . . 189 ALA N . 189 ALA H 51418 2 76 . 1 1 149 149 GLY N N 15 . 1 1 149 149 GLY H H 1 0.0465 0.034427 . . . 192 GLY N . 192 GLY H 51418 2 77 . 1 1 151 151 SER N N 15 . 1 1 151 151 SER H H 1 0.2271 0.022169 . . . 194 SER N . 194 SER H 51418 2 78 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 -0.0928 0.014191 . . . 196 VAL N . 196 VAL H 51418 2 79 . 1 1 155 155 ASN N N 15 . 1 1 155 155 ASN H H 1 0.2497 0.049489 . . . 198 ASN N . 198 ASN H 51418 2 80 . 1 1 156 156 THR N N 15 . 1 1 156 156 THR H H 1 0.0362 0.026203 . . . 199 THR N . 199 THR H 51418 2 81 . 1 1 158 158 GLN N N 15 . 1 1 158 158 GLN H H 1 0.1657 0.031055 . . . 201 GLN N . 201 GLN H 51418 2 82 . 1 1 159 159 ALA N N 15 . 1 1 159 159 ALA H H 1 -0.0857 0.017597 . . . 202 ALA N . 202 ALA H 51418 2 83 . 1 1 160 160 SER N N 15 . 1 1 160 160 SER H H 1 -0.168 0.069956 . . . 203 SER N . 203 SER H 51418 2 84 . 1 1 161 161 THR N N 15 . 1 1 161 161 THR H H 1 0.35 0.033828 . . . 204 THR N . 204 THR H 51418 2 85 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 -0.336 0.044053 . . . 210 THR N . 210 THR H 51418 2 86 . 1 1 184 184 ALA N N 15 . 1 1 184 184 ALA H H 1 -0.1283 0.024536 . . . 227 ALA N . 227 ALA H 51418 2 87 . 1 1 185 185 VAL N N 15 . 1 1 185 185 VAL H H 1 0.1065 0.021562 . . . 228 VAL N . 228 VAL H 51418 2 88 . 1 1 186 186 THR N N 15 . 1 1 186 186 THR H H 1 0.0427 0.014913 . . . 229 THR N . 229 THR H 51418 2 89 . 1 1 188 188 ASP N N 15 . 1 1 188 188 ASP H H 1 0.2887 0.012347 . . . 231 ASP N . 231 ASP H 51418 2 90 . 1 1 190 190 ILE N N 15 . 1 1 190 190 ILE H H 1 0.2217 0.012291 . . . 233 ILE N . 233 ILE H 51418 2 91 . 1 1 191 191 VAL N N 15 . 1 1 191 191 VAL H H 1 -0.1845 0.01353 . . . 234 VAL N . 234 VAL H 51418 2 92 . 1 1 195 195 VAL N N 15 . 1 1 195 195 VAL H H 1 -0.1034 0.012649 . . . 238 VAL N . 238 VAL H 51418 2 93 . 1 1 197 197 THR N N 15 . 1 1 197 197 THR H H 1 -0.0443 0.028357 . . . 240 THR N . 240 THR H 51418 2 94 . 1 1 198 198 VAL N N 15 . 1 1 198 198 VAL H H 1 -0.0811 0.018872 . . . 241 VAL N . 241 VAL H 51418 2 95 . 1 1 199 199 VAL N N 15 . 1 1 199 199 VAL H H 1 0.1493 0.014514 . . . 242 VAL N . 242 VAL H 51418 2 96 . 1 1 231 231 ILE N N 15 . 1 1 231 231 ILE H H 1 -0.1302 0.015004 . . . 274 ILE N . 274 ILE H 51418 2 97 . 1 1 232 232 ILE N N 15 . 1 1 232 232 ILE H H 1 -0.1337 0.016564 . . . 275 ILE N . 275 ILE H 51418 2 98 . 1 1 233 233 ALA N N 15 . 1 1 233 233 ALA H H 1 -0.0574 0.017631 . . . 276 ALA N . 276 ALA H 51418 2 99 . 1 1 234 234 ALA N N 15 . 1 1 234 234 ALA H H 1 0.099 0.010126 . . . 277 ALA N . 277 ALA H 51418 2 100 . 1 1 243 243 LYS N N 15 . 1 1 243 243 LYS H H 1 0.1628 0.021987 . . . 286 LYS N . 286 LYS H 51418 2 101 . 1 1 244 244 GLY N N 15 . 1 1 244 244 GLY H H 1 0.2091 0.052953 . . . 287 GLY N . 287 GLY H 51418 2 102 . 1 1 249 249 ALA N N 15 . 1 1 249 249 ALA H H 1 0.1491 0.039654 . . . 292 ALA N . 292 ALA H 51418 2 103 . 1 1 250 250 ASP N N 15 . 1 1 250 250 ASP H H 1 0.339 0.024825 . . . 293 ASP N . 293 ASP H 51418 2 104 . 1 1 251 251 THR N N 15 . 1 1 251 251 THR H H 1 0.5457 0.027628 . . . 294 THR N . 294 THR H 51418 2 105 . 1 1 252 252 THR N N 15 . 1 1 252 252 THR H H 1 0.3984 0.016745 . . . 295 THR N . 295 THR H 51418 2 106 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 -0.0742 0.023812 . . . 298 THR N . 298 THR H 51418 2 107 . 1 1 256 256 THR N N 15 . 1 1 256 256 THR H H 1 0.123 0.030312 . . . 299 THR N . 299 THR H 51418 2 108 . 1 1 257 257 ILE N N 15 . 1 1 257 257 ILE H H 1 0.0914 0.018151 . . . 300 ILE N . 300 ILE H 51418 2 109 . 1 1 258 258 ASP N N 15 . 1 1 258 258 ASP H H 1 0.0834 0.014178 . . . 301 ASP N . 301 ASP H 51418 2 110 . 1 1 260 260 ILE N N 15 . 1 1 260 260 ILE H H 1 0.179 0.015266 . . . 303 ILE N . 303 ILE H 51418 2 111 . 1 1 261 261 HIS N N 15 . 1 1 261 261 HIS H H 1 0.1456 0.030363 . . . 304 HIS N . 304 HIS H 51418 2 112 . 1 1 265 265 SER N N 15 . 1 1 265 265 SER H H 1 0.1331 0.02916 . . . 308 SER N . 308 SER H 51418 2 113 . 1 1 266 266 LEU N N 15 . 1 1 266 266 LEU H H 1 0.1728 0.022678 . . . 309 LEU N . 309 LEU H 51418 2 114 . 1 1 272 272 THR N N 15 . 1 1 272 272 THR H H 1 0.5842 0.025107 . . . 315 THR N . 315 THR H 51418 2 115 . 1 1 289 289 LYS N N 15 . 1 1 289 289 LYS H H 1 0.2811 0.018584 . . . 332 LYS N . 332 LYS H 51418 2 116 . 1 1 292 292 VAL N N 15 . 1 1 292 292 VAL H H 1 0.128 0.015917 . . . 335 VAL N . 335 VAL H 51418 2 117 . 1 1 295 295 SER N N 15 . 1 1 295 295 SER H H 1 0.3934 0.03488 . . . 338 SER N . 338 SER H 51418 2 118 . 1 1 300 300 ALA N N 15 . 1 1 300 300 ALA H H 1 0.1896 0.0251 . . . 343 ALA N . 343 ALA H 51418 2 119 . 1 1 302 302 GLU N N 15 . 1 1 302 302 GLU H H 1 0.2731 0.022587 . . . 345 GLU N . 345 GLU H 51418 2 120 . 1 1 304 304 SER N N 15 . 1 1 304 304 SER H H 1 0.4841 0.092699 . . . 347 SER N . 347 SER H 51418 2 121 . 1 1 307 307 VAL N N 15 . 1 1 307 307 VAL H H 1 0.6429 0.04411 . . . 350 VAL N . 350 VAL H 51418 2 122 . 1 1 308 308 SER N N 15 . 1 1 308 308 SER H H 1 0.7618 0.045519 . . . 351 SER N . 351 SER H 51418 2 123 . 1 1 309 309 GLU N N 15 . 1 1 309 309 GLU H H 1 0.794 0.10413 . . . 352 GLU N . 352 GLU H 51418 2 124 . 1 1 310 310 GLN N N 15 . 1 1 310 310 GLN H H 1 0.9494 0.088296 . . . 353 GLN N . 353 GLN H 51418 2 125 . 1 1 311 311 LEU N N 15 . 1 1 311 311 LEU H H 1 0.6058 0.043975 . . . 354 LEU N . 354 LEU H 51418 2 126 . 1 1 312 312 LYS N N 15 . 1 1 312 312 LYS H H 1 0.7261 0.043994 . . . 355 LYS N . 355 LYS H 51418 2 127 . 1 1 313 313 CYS N N 15 . 1 1 313 313 CYS H H 1 0.9261 0.03915 . . . 356 CYS N . 356 CYS H 51418 2 128 . 1 1 316 316 GLY N N 15 . 1 1 316 316 GLY H H 1 0.7956 0.052723 . . . 359 GLY N . 359 GLY H 51418 2 129 . 1 1 317 317 ILE N N 15 . 1 1 317 317 ILE H H 1 0.9557 0.058551 . . . 360 ILE N . 360 ILE H 51418 2 130 . 1 1 319 319 LYS N N 15 . 1 1 319 319 LYS H H 1 0.8716 0.041887 . . . 362 LYS N . 362 LYS H 51418 2 131 . 1 1 320 320 GLU N N 15 . 1 1 320 320 GLU H H 1 0.9437 0.048576 . . . 363 GLU N . 363 GLU H 51418 2 132 . 1 1 321 321 MET N N 15 . 1 1 321 321 MET H H 1 1.1049 0.074756 . . . 364 MET N . 364 MET H 51418 2 133 . 1 1 322 322 PHE N N 15 . 1 1 322 322 PHE H H 1 0.8916 0.045682 . . . 365 PHE N . 365 PHE H 51418 2 134 . 1 1 327 327 ALA N N 15 . 1 1 327 327 ALA H H 1 0.8965 0.046047 . . . 370 ALA N . 370 ALA H 51418 2 135 . 1 1 329 329 TYR N N 15 . 1 1 329 329 TYR H H 1 1.3348 0.16374 . . . 372 TYR N . 372 TYR H 51418 2 136 . 1 1 331 331 TRP N N 15 . 1 1 331 331 TRP H H 1 0.8554 0.039116 . . . 374 TRP N . 374 TRP H 51418 2 137 . 1 1 333 333 PHE N N 15 . 1 1 333 333 PHE H H 1 0.5704 0.032399 . . . 376 PHE N . 376 PHE H 51418 2 138 . 1 1 334 334 TYR N N 15 . 1 1 334 334 TYR H H 1 0.8797 0.039718 . . . 377 TYR N . 377 TYR H 51418 2 139 . 1 1 335 335 LYS N N 15 . 1 1 335 335 LYS H H 1 0.9817 0.058754 . . . 378 LYS N . 378 LYS H 51418 2 140 . 1 1 337 337 VAL N N 15 . 1 1 337 337 VAL H H 1 0.8374 0.0425 . . . 380 VAL N . 380 VAL H 51418 2 141 . 1 1 338 338 ASP N N 15 . 1 1 338 338 ASP H H 1 0.6862 0.033255 . . . 381 ASP N . 381 ASP H 51418 2 142 . 1 1 339 339 VAL N N 15 . 1 1 339 339 VAL H H 1 0.6777 0.037048 . . . 382 VAL N . 382 VAL H 51418 2 143 . 1 1 341 341 ALA N N 15 . 1 1 341 341 ALA H H 1 0.7021 0.039096 . . . 384 ALA N . 384 ALA H 51418 2 144 . 1 1 343 343 GLY N N 15 . 1 1 343 343 GLY H H 1 0.7059 0.11363 . . . 386 GLY N . 386 GLY H 51418 2 145 . 1 1 347 347 TYR N N 15 . 1 1 347 347 TYR H H 1 0.78 0.038382 . . . 390 TYR N . 390 TYR H 51418 2 146 . 1 1 348 348 CYS N N 15 . 1 1 348 348 CYS H H 1 0.9807 0.079277 . . . 391 CYS N . 391 CYS H 51418 2 147 . 1 1 349 349 ASP N N 15 . 1 1 349 349 ASP H H 1 0.768 0.072019 . . . 392 ASP N . 392 ASP H 51418 2 148 . 1 1 350 350 ILE N N 15 . 1 1 350 350 ILE H H 1 0.8711 0.058101 . . . 393 ILE N . 393 ILE H 51418 2 149 . 1 1 356 356 ASP N N 15 . 1 1 356 356 ASP H H 1 0.8859 0.035949 . . . 399 ASP N . 399 ASP H 51418 2 150 . 1 1 357 357 MET N N 15 . 1 1 357 357 MET H H 1 0.952 0.042212 . . . 400 MET N . 400 MET H 51418 2 151 . 1 1 358 358 SER N N 15 . 1 1 358 358 SER H H 1 0.8679 0.040353 . . . 401 SER N . 401 SER H 51418 2 152 . 1 1 360 360 ILE N N 15 . 1 1 360 360 ILE H H 1 0.9994 0.050875 . . . 403 ILE N . 403 ILE H 51418 2 153 . 1 1 361 361 LYS N N 15 . 1 1 361 361 LYS H H 1 0.9538 0.011712 . . . 404 LYS N . 404 LYS H 51418 2 154 . 1 1 362 362 SER N N 15 . 1 1 362 362 SER H H 1 0.8914 0.037874 . . . 405 SER N . 405 SER H 51418 2 155 . 1 1 364 364 LEU N N 15 . 1 1 364 364 LEU H H 1 0.9325 0.047279 . . . 407 LEU N . 407 LEU H 51418 2 156 . 1 1 366 366 ALA N N 15 . 1 1 366 366 ALA H H 1 0.7951 0.031426 . . . 409 ALA N . 409 ALA H 51418 2 157 . 1 1 367 367 ARG N N 15 . 1 1 367 367 ARG H H 1 0.8401 0.038775 . . . 410 ARG N . 410 ARG H 51418 2 158 . 1 1 369 369 TYR N N 15 . 1 1 369 369 TYR H H 1 0.7964 0.035709 . . . 412 TYR N . 412 TYR H 51418 2 159 . 1 1 370 370 ARG N N 15 . 1 1 370 370 ARG H H 1 0.9207 0.049571 . . . 413 ARG N . 413 ARG H 51418 2 160 . 1 1 371 371 ASP N N 15 . 1 1 371 371 ASP H H 1 0.8354 0.038676 . . . 414 ASP N . 414 ASP H 51418 2 161 . 1 1 372 372 ALA N N 15 . 1 1 372 372 ALA H H 1 0.776 0.042584 . . . 415 ALA N . 415 ALA H 51418 2 162 . 1 1 373 373 GLN N N 15 . 1 1 373 373 GLN H H 1 0.9231 0.059239 . . . 416 GLN N . 416 GLN H 51418 2 163 . 1 1 375 375 PHE N N 15 . 1 1 375 375 PHE H H 1 0.9118 0.045398 . . . 418 PHE N . 418 PHE H 51418 2 164 . 1 1 376 376 GLY N N 15 . 1 1 376 376 GLY H H 1 0.8774 0.056091 . . . 419 GLY N . 419 GLY H 51418 2 165 . 1 1 378 378 ASP N N 15 . 1 1 378 378 ASP H H 1 0.9241 0.03949 . . . 421 ASP N . 421 ASP H 51418 2 166 . 1 1 379 379 VAL N N 15 . 1 1 379 379 VAL H H 1 0.9517 0.046054 . . . 422 VAL N . 422 VAL H 51418 2 167 . 1 1 380 380 ARG N N 15 . 1 1 380 380 ARG H H 1 0.8561 0.064661 . . . 423 ARG N . 423 ARG H 51418 2 168 . 1 1 382 382 MET N N 15 . 1 1 382 382 MET H H 1 0.9101 0.057122 . . . 425 MET N . 425 MET H 51418 2 169 . 1 1 383 383 PHE N N 15 . 1 1 383 383 PHE H H 1 0.8826 0.061213 . . . 426 PHE N . 426 PHE H 51418 2 170 . 1 1 386 386 CYS N N 15 . 1 1 386 386 CYS H H 1 0.9877 0.055263 . . . 429 CYS N . 429 CYS H 51418 2 171 . 1 1 390 390 ASN N N 15 . 1 1 390 390 ASN H H 1 0.8842 0.11555 . . . 433 ASN N . 433 ASN H 51418 2 172 . 1 1 393 393 ASP N N 15 . 1 1 393 393 ASP H H 1 0.9122 0.056197 . . . 436 ASP N . 436 ASP H 51418 2 173 . 1 1 394 394 HIS N N 15 . 1 1 394 394 HIS H H 1 0.9077 0.10477 . . . 437 HIS N . 437 HIS H 51418 2 174 . 1 1 395 395 GLU N N 15 . 1 1 395 395 GLU H H 1 0.8195 0.0472 . . . 438 GLU N . 438 GLU H 51418 2 175 . 1 1 396 396 VAL N N 15 . 1 1 396 396 VAL H H 1 0.9196 0.19436 . . . 439 VAL N . 439 VAL H 51418 2 176 . 1 1 397 397 VAL N N 15 . 1 1 397 397 VAL H H 1 0.9671 0.062366 . . . 440 VAL N . 440 VAL H 51418 2 177 . 1 1 398 398 ALA N N 15 . 1 1 398 398 ALA H H 1 1.0257 0.10676 . . . 441 ALA N . 441 ALA H 51418 2 178 . 1 1 399 399 MET N N 15 . 1 1 399 399 MET H H 1 0.8983 0.046741 . . . 442 MET N . 442 MET H 51418 2 179 . 1 1 402 402 LYS N N 15 . 1 1 402 402 LYS H H 1 0.8228 0.091994 . . . 445 LYS N . 445 LYS H 51418 2 180 . 1 1 404 404 GLN N N 15 . 1 1 404 404 GLN H H 1 0.9917 0.15255 . . . 447 GLN N . 447 GLN H 51418 2 181 . 1 1 408 408 GLU N N 15 . 1 1 408 408 GLU H H 1 0.8819 0.10183 . . . 451 GLU N . 451 GLU H 51418 2 182 . 1 1 410 410 ARG N N 15 . 1 1 410 410 ARG H H 1 0.917 0.10178 . . . 453 ARG N . 453 ARG H 51418 2 183 . 1 1 411 411 PHE N N 15 . 1 1 411 411 PHE H H 1 0.9502 0.11729 . . . 454 PHE N . 454 PHE H 51418 2 184 . 1 1 412 412 ALA N N 15 . 1 1 412 412 ALA H H 1 0.8738 0.04531 . . . 455 ALA N . 455 ALA H 51418 2 185 . 1 1 417 417 GLU N N 15 . 1 1 417 417 GLU H H 1 0.314 0.034347 . . . 460 GLU N . 460 GLU H 51418 2 stop_ save_