data_25969 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the DNA-binding type IV pilin ComP from Neisseri subflava ; _BMRB_accession_number 25969 _BMRB_flat_file_name bmr25969.str _Entry_type original _Submission_date 2016-02-02 _Accession_date 2016-02-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Berry Jamie L. . 2 Xu Yingqi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 677 "13C chemical shifts" 513 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-20 update BMRB 'update entry citation' 2016-05-23 original author 'original release' stop_ _Original_release_date 2016-05-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Comparative Structure/Function Analysis of Two Type IV Pilin DNA Receptors Defines a Novel Mode of DNA Binding ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27161979 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Berry Jamie . . 2 Xu Yingqi . . 3 Ward Philip . . 4 Lea Susan . . 5 Matthews Stephen . . 6 Pelicic Vladimir . . stop_ _Journal_abbreviation Structure _Journal_volume 24 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 926 _Page_last 934 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'minor DNA-uptake pilin ComP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ComP $ComP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ComP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 13071.196 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; HRSANLRAAHAALLENARFM EQFYAKKGSFKLTSTKWPEL PVKEAGGFCIRMSGQAKGIL EGKFTLKAVALDREAEPRVL RLNESLTAVVCGKMKGKGSC TDGEEIFRGNDAECRPFTG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 6 HIS 2 7 ARG 3 8 SER 4 9 ALA 5 10 ASN 6 11 LEU 7 12 ARG 8 13 ALA 9 14 ALA 10 15 HIS 11 16 ALA 12 17 ALA 13 18 LEU 14 19 LEU 15 20 GLU 16 21 ASN 17 22 ALA 18 23 ARG 19 24 PHE 20 25 MET 21 26 GLU 22 27 GLN 23 28 PHE 24 29 TYR 25 30 ALA 26 31 LYS 27 32 LYS 28 33 GLY 29 34 SER 30 35 PHE 31 36 LYS 32 37 LEU 33 38 THR 34 39 SER 35 40 THR 36 41 LYS 37 42 TRP 38 43 PRO 39 44 GLU 40 45 LEU 41 46 PRO 42 47 VAL 43 48 LYS 44 49 GLU 45 50 ALA 46 51 GLY 47 52 GLY 48 53 PHE 49 54 CYS 50 55 ILE 51 56 ARG 52 57 MET 53 58 SER 54 59 GLY 55 60 GLN 56 61 ALA 57 62 LYS 58 63 GLY 59 64 ILE 60 65 LEU 61 66 GLU 62 67 GLY 63 68 LYS 64 69 PHE 65 70 THR 66 71 LEU 67 72 LYS 68 73 ALA 69 74 VAL 70 75 ALA 71 76 LEU 72 77 ASP 73 78 ARG 74 79 GLU 75 80 ALA 76 81 GLU 77 82 PRO 78 83 ARG 79 84 VAL 80 85 LEU 81 86 ARG 82 87 LEU 83 88 ASN 84 89 GLU 85 90 SER 86 91 LEU 87 92 THR 88 93 ALA 89 94 VAL 90 95 VAL 91 96 CYS 92 97 GLY 93 98 LYS 94 99 MET 95 100 LYS 96 101 GLY 97 102 LYS 98 103 GLY 99 104 SER 100 105 CYS 101 106 THR 102 107 ASP 103 108 GLY 104 109 GLU 105 110 GLU 106 111 ILE 107 112 PHE 108 113 ARG 109 114 GLY 110 115 ASN 111 116 ASP 112 117 ALA 113 118 GLU 114 119 CYS 115 120 ARG 116 121 PRO 117 122 PHE 118 123 THR 119 124 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ComP b-proteobacteria 28449 Bacteria . Neisseria subflava stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ComP 'recombinant technology' . Escherichia coli . 'pET 28(b)' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ComP 750 uM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.1 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6 . pH pressure 1 . atm temperature 295 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.25144953 internal indirect . . . 0.251449519 water H 1 protons ppm 4.802 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.101329112 internal indirect . . . 0.10134133880514666048 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ComP _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 1 HIS C C 175.138 . . 2 6 1 HIS CA C 56.298 . . 3 6 1 HIS CB C 29.739 . . 4 7 2 ARG H H 8.649 . . 5 7 2 ARG HA H 4.350 . . 6 7 2 ARG HB2 H 1.846 . . 7 7 2 ARG HB3 H 1.839 . . 8 7 2 ARG HG2 H 1.648 . . 9 7 2 ARG HG3 H 1.648 . . 10 7 2 ARG HD2 H 3.226 . . 11 7 2 ARG HD3 H 3.289 . . 12 7 2 ARG C C 177.037 . . 13 7 2 ARG CA C 56.724 . . 14 7 2 ARG CB C 30.881 . . 15 7 2 ARG CG C 27.199 . . 16 7 2 ARG CD C 43.282 . . 17 7 2 ARG N N 122.494 . . 18 8 3 SER H H 8.522 . . 19 8 3 SER HA H 4.384 . . 20 8 3 SER HB2 H 3.917 . . 21 8 3 SER HB3 H 3.917 . . 22 8 3 SER C C 174.613 . . 23 8 3 SER CA C 59.412 . . 24 8 3 SER CB C 63.686 . . 25 8 3 SER N N 117.535 . . 26 9 4 ALA H H 8.415 . . 27 9 4 ALA HA H 4.465 . . 28 9 4 ALA HB H 1.354 . . 29 9 4 ALA C C 178.349 . . 30 9 4 ALA CA C 53.067 . . 31 9 4 ALA CB C 18.914 . . 32 9 4 ALA N N 126.336 . . 33 10 5 ASN H H 9.263 . . 34 10 5 ASN HA H 4.950 . . 35 10 5 ASN HB2 H 3.350 . . 36 10 5 ASN HB3 H 2.870 . . 37 10 5 ASN C C 175.571 . . 38 10 5 ASN CA C 53.247 . . 39 10 5 ASN CB C 39.125 . . 40 10 5 ASN N N 121.438 . . 41 11 6 LEU H H 8.560 . . 42 11 6 LEU HA H 3.621 . . 43 11 6 LEU HB2 H 1.443 . . 44 11 6 LEU HB3 H 1.821 . . 45 11 6 LEU HG H 1.619 . . 46 11 6 LEU HD1 H 0.855 . . 47 11 6 LEU HD2 H 0.576 . . 48 11 6 LEU C C 178.567 . . 49 11 6 LEU CA C 58.886 . . 50 11 6 LEU CB C 42.260 . . 51 11 6 LEU CG C 28.781 . . 52 11 6 LEU CD1 C 25.354 . . 53 11 6 LEU CD2 C 25.354 . . 54 11 6 LEU N N 125.021 . . 55 12 7 ARG H H 8.114 . . 56 12 7 ARG HA H 4.134 . . 57 12 7 ARG HB2 H 2.044 . . 58 12 7 ARG HB3 H 2.035 . . 59 12 7 ARG HG2 H 1.710 . . 60 12 7 ARG HG3 H 1.914 . . 61 12 7 ARG HD2 H 3.298 . . 62 12 7 ARG HD3 H 3.301 . . 63 12 7 ARG C C 179.350 . . 64 12 7 ARG CA C 60.347 . . 65 12 7 ARG CB C 29.691 . . 66 12 7 ARG CG C 28.154 . . 67 12 7 ARG CD C 43.453 . . 68 12 7 ARG N N 117.977 . . 69 13 8 ALA H H 7.871 . . 70 13 8 ALA HA H 4.213 . . 71 13 8 ALA HB H 1.505 . . 72 13 8 ALA C C 180.957 . . 73 13 8 ALA CA C 54.402 . . 74 13 8 ALA CB C 17.869 . . 75 13 8 ALA N N 123.280 . . 76 14 9 ALA H H 7.930 . . 77 14 9 ALA HA H 3.705 . . 78 14 9 ALA HB H 0.718 . . 79 14 9 ALA C C 178.578 . . 80 14 9 ALA CA C 55.404 . . 81 14 9 ALA CB C 17.260 . . 82 14 9 ALA N N 122.111 . . 83 15 10 HIS H H 8.422 . . 84 15 10 HIS HA H 3.776 . . 85 15 10 HIS HB2 H 2.785 . . 86 15 10 HIS HB3 H 3.281 . . 87 15 10 HIS HD2 H 6.833 . . 88 15 10 HIS HE1 H 6.955 . . 89 15 10 HIS C C 176.304 . . 90 15 10 HIS CA C 60.031 . . 91 15 10 HIS CB C 31.370 . . 92 15 10 HIS CD2 C 129.400 . . 93 15 10 HIS CE1 C 132.500 . . 94 15 10 HIS N N 118.502 . . 95 16 11 ALA H H 7.980 . . 96 16 11 ALA HA H 3.854 . . 97 16 11 ALA HB H 1.500 . . 98 16 11 ALA C C 180.644 . . 99 16 11 ALA CA C 55.471 . . 100 16 11 ALA CB C 17.802 . . 101 16 11 ALA N N 120.116 . . 102 17 12 ALA H H 7.465 . . 103 17 12 ALA HA H 4.176 . . 104 17 12 ALA HB H 1.265 . . 105 17 12 ALA C C 180.122 . . 106 17 12 ALA CA C 54.469 . . 107 17 12 ALA CB C 20.140 . . 108 17 12 ALA N N 121.281 . . 109 18 13 LEU H H 8.468 . . 110 18 13 LEU HA H 3.807 . . 111 18 13 LEU HB2 H 1.233 . . 112 18 13 LEU HB3 H 2.151 . . 113 18 13 LEU HG H 1.843 . . 114 18 13 LEU HD1 H 0.686 . . 115 18 13 LEU HD2 H 0.587 . . 116 18 13 LEU C C 178.766 . . 117 18 13 LEU CA C 58.744 . . 118 18 13 LEU CB C 40.711 . . 119 18 13 LEU CG C 25.946 . . 120 18 13 LEU CD1 C 25.061 . . 121 18 13 LEU CD2 C 26.683 . . 122 18 13 LEU N N 120.262 . . 123 19 14 LEU H H 8.029 . . 124 19 14 LEU HA H 3.862 . . 125 19 14 LEU HB2 H 1.327 . . 126 19 14 LEU HB3 H 1.821 . . 127 19 14 LEU HG H 1.280 . . 128 19 14 LEU HD1 H 0.643 . . 129 19 14 LEU HD2 H 0.830 . . 130 19 14 LEU C C 179.517 . . 131 19 14 LEU CA C 58.009 . . 132 19 14 LEU CB C 41.445 . . 133 19 14 LEU CG C 26.805 . . 134 19 14 LEU CD1 C 25.122 . . 135 19 14 LEU CD2 C 23.261 . . 136 19 14 LEU N N 119.078 . . 137 20 15 GLU H H 7.895 . . 138 20 15 GLU HA H 4.027 . . 139 20 15 GLU HB2 H 2.000 . . 140 20 15 GLU HB3 H 2.123 . . 141 20 15 GLU HG2 H 2.254 . . 142 20 15 GLU HG3 H 2.263 . . 143 20 15 GLU C C 180.289 . . 144 20 15 GLU CA C 59.879 . . 145 20 15 GLU CB C 29.290 . . 146 20 15 GLU CG C 35.753 . . 147 20 15 GLU N N 121.499 . . 148 21 16 ASN H H 8.373 . . 149 21 16 ASN HA H 4.538 . . 150 21 16 ASN HB2 H 2.319 . . 151 21 16 ASN HB3 H 2.820 . . 152 21 16 ASN C C 177.368 . . 153 21 16 ASN CA C 55.872 . . 154 21 16 ASN CB C 40.444 . . 155 21 16 ASN N N 119.066 . . 156 22 17 ALA H H 8.886 . . 157 22 17 ALA HA H 3.773 . . 158 22 17 ALA HB H 1.538 . . 159 22 17 ALA C C 179.402 . . 160 22 17 ALA CA C 55.471 . . 161 22 17 ALA CB C 18.220 . . 162 22 17 ALA N N 125.274 . . 163 23 18 ARG H H 8.168 . . 164 23 18 ARG HA H 4.197 . . 165 23 18 ARG HB2 H 2.020 . . 166 23 18 ARG HB3 H 2.066 . . 167 23 18 ARG HG2 H 1.699 . . 168 23 18 ARG HG3 H 1.889 . . 169 23 18 ARG HD2 H 3.218 . . 170 23 18 ARG HD3 H 3.218 . . 171 23 18 ARG C C 179.726 . . 172 23 18 ARG CA C 59.812 . . 173 23 18 ARG CB C 29.691 . . 174 23 18 ARG CG C 28.134 . . 175 23 18 ARG CD C 43.284 . . 176 23 18 ARG N N 119.945 . . 177 24 19 PHE H H 7.658 . . 178 24 19 PHE HA H 4.367 . . 179 24 19 PHE HB2 H 3.330 . . 180 24 19 PHE HB3 H 3.499 . . 181 24 19 PHE HD1 H 7.190 . . 182 24 19 PHE HE1 H 7.346 . . 183 24 19 PHE C C 177.410 . . 184 24 19 PHE CA C 61.348 . . 185 24 19 PHE CB C 37.906 . . 186 24 19 PHE CD1 C 131.900 . . 187 24 19 PHE CE1 C 130.500 . . 188 24 19 PHE N N 121.222 . . 189 25 20 MET H H 8.358 . . 190 25 20 MET HA H 4.300 . . 191 25 20 MET HB2 H 1.448 . . 192 25 20 MET HB3 H 1.981 . . 193 25 20 MET HG2 H 2.450 . . 194 25 20 MET HG3 H 2.495 . . 195 25 20 MET HE H 1.873 . . 196 25 20 MET C C 179.371 . . 197 25 20 MET CA C 55.939 . . 198 25 20 MET CB C 29.424 . . 199 25 20 MET CG C 30.642 . . 200 25 20 MET CE C 16.880 . . 201 25 20 MET N N 120.355 . . 202 26 21 GLU H H 8.441 . . 203 26 21 GLU HA H 4.338 . . 204 26 21 GLU HB2 H 2.374 . . 205 26 21 GLU HB3 H 2.261 . . 206 26 21 GLU HG2 H 2.691 . . 207 26 21 GLU HG3 H 2.280 . . 208 26 21 GLU C C 179.934 . . 209 26 21 GLU CA C 60.053 . . 210 26 21 GLU CB C 29.484 . . 211 26 21 GLU CG C 35.900 . . 212 26 21 GLU N N 120.164 . . 213 27 22 GLN H H 8.001 . . 214 27 22 GLN HA H 4.132 . . 215 27 22 GLN HB2 H 2.093 . . 216 27 22 GLN HB3 H 2.261 . . 217 27 22 GLN HG2 H 2.633 . . 218 27 22 GLN HG3 H 2.442 . . 219 27 22 GLN C C 178.307 . . 220 27 22 GLN CA C 58.610 . . 221 27 22 GLN CB C 28.088 . . 222 27 22 GLN CG C 33.966 . . 223 27 22 GLN N N 121.309 . . 224 28 23 PHE H H 8.760 . . 225 28 23 PHE HA H 3.814 . . 226 28 23 PHE HB2 H 2.411 . . 227 28 23 PHE HB3 H 3.337 . . 228 28 23 PHE HD2 H 7.336 . . 229 28 23 PHE HE2 H 7.212 . . 230 28 23 PHE HZ H 6.962 . . 231 28 23 PHE C C 177.717 . . 232 28 23 PHE CA C 62.192 . . 233 28 23 PHE CB C 39.343 . . 234 28 23 PHE CD2 C 131.850 . . 235 28 23 PHE CE2 C 131.850 . . 236 28 23 PHE CZ C 131.850 . . 237 28 23 PHE N N 124.569 . . 238 29 24 TYR H H 8.956 . . 239 29 24 TYR HA H 3.795 . . 240 29 24 TYR HB2 H 2.869 . . 241 29 24 TYR HB3 H 2.991 . . 242 29 24 TYR HD1 H 6.031 . . 243 29 24 TYR HD2 H 6.005 . . 244 29 24 TYR HE1 H 6.432 . . 245 29 24 TYR HE2 H 6.432 . . 246 29 24 TYR C C 179.079 . . 247 29 24 TYR CA C 60.948 . . 248 29 24 TYR CB C 38.707 . . 249 29 24 TYR CD1 C 132.700 . . 250 29 24 TYR CD2 C 133.000 . . 251 29 24 TYR CE1 C 116.800 . . 252 29 24 TYR CE2 C 116.800 . . 253 29 24 TYR N N 121.726 . . 254 30 25 ALA H H 8.063 . . 255 30 25 ALA HA H 4.048 . . 256 30 25 ALA HB H 1.541 . . 257 30 25 ALA C C 174.781 . . 258 30 25 ALA CA C 54.870 . . 259 30 25 ALA CB C 17.869 . . 260 30 25 ALA N N 121.142 . . 261 31 26 LYS H H 7.172 . . 262 31 26 LYS HA H 4.188 . . 263 31 26 LYS HB2 H 1.705 . . 264 31 26 LYS HB3 H 1.710 . . 265 31 26 LYS HG2 H 1.443 . . 266 31 26 LYS HG3 H 1.340 . . 267 31 26 LYS HD2 H 1.604 . . 268 31 26 LYS HD3 H 1.592 . . 269 31 26 LYS HE2 H 2.911 . . 270 31 26 LYS HE3 H 2.911 . . 271 31 26 LYS C C 177.744 . . 272 31 26 LYS CA C 57.408 . . 273 31 26 LYS CB C 33.175 . . 274 31 26 LYS CG C 24.826 . . 275 31 26 LYS CD C 28.869 . . 276 31 26 LYS CE C 42.013 . . 277 31 26 LYS N N 114.745 . . 278 32 27 LYS H H 8.154 . . 279 32 27 LYS HA H 4.113 . . 280 32 27 LYS HB2 H 1.205 . . 281 32 27 LYS HB3 H 1.560 . . 282 32 27 LYS HG2 H 1.046 . . 283 32 27 LYS HG3 H 0.789 . . 284 32 27 LYS HD2 H 1.413 . . 285 32 27 LYS HD3 H 1.413 . . 286 32 27 LYS HE2 H 2.880 . . 287 32 27 LYS HE3 H 2.877 . . 288 32 27 LYS C C 177.747 . . 289 32 27 LYS CA C 55.805 . . 290 32 27 LYS CB C 33.898 . . 291 32 27 LYS CG C 24.035 . . 292 32 27 LYS CD C 27.902 . . 293 32 27 LYS CE C 42.366 . . 294 32 27 LYS N N 117.388 . . 295 33 28 GLY H H 8.945 . . 296 33 28 GLY HA2 H 3.692 . . 297 33 28 GLY HA3 H 2.841 . . 298 33 28 GLY C C 171.798 . . 299 33 28 GLY CA C 44.651 . . 300 33 28 GLY N N 109.017 . . 301 34 29 SER H H 6.756 . . 302 34 29 SER HA H 4.136 . . 303 34 29 SER HB2 H 3.879 . . 304 34 29 SER HB3 H 3.242 . . 305 34 29 SER C C 172.862 . . 306 34 29 SER CA C 56.673 . . 307 34 29 SER CB C 64.621 . . 308 34 29 SER N N 110.165 . . 309 35 30 PHE H H 9.403 . . 310 35 30 PHE HA H 5.114 . . 311 35 30 PHE HB2 H 3.084 . . 312 35 30 PHE HB3 H 3.795 . . 313 35 30 PHE HD1 H 7.546 . . 314 35 30 PHE HE1 H 7.142 . . 315 35 30 PHE HE2 H 7.216 . . 316 35 30 PHE HZ H 7.306 . . 317 35 30 PHE C C 172.888 . . 318 35 30 PHE CA C 59.260 . . 319 35 30 PHE CB C 40.488 . . 320 35 30 PHE CD1 C 131.800 . . 321 35 30 PHE CD2 C 131.580 . . 322 35 30 PHE CE2 C 131.487 . . 323 35 30 PHE CZ C 131.487 . . 324 35 30 PHE N N 121.132 . . 325 36 31 LYS H H 8.536 . . 326 36 31 LYS HA H 4.384 . . 327 36 31 LYS HB2 H 1.354 . . 328 36 31 LYS HB3 H 2.215 . . 329 36 31 LYS HG2 H 1.269 . . 330 36 31 LYS HG3 H 1.266 . . 331 36 31 LYS HD2 H 1.504 . . 332 36 31 LYS HD3 H 1.504 . . 333 36 31 LYS HE2 H 2.738 . . 334 36 31 LYS HE3 H 2.693 . . 335 36 31 LYS C C 177.118 . . 336 36 31 LYS CA C 56.272 . . 337 36 31 LYS CB C 33.097 . . 338 36 31 LYS CG C 26.233 . . 339 36 31 LYS CD C 29.842 . . 340 36 31 LYS CE C 43.258 . . 341 36 31 LYS N N 114.841 . . 342 37 32 LEU H H 8.503 . . 343 37 32 LEU HA H 4.450 . . 344 37 32 LEU HB2 H 1.638 . . 345 37 32 LEU HB3 H 1.055 . . 346 37 32 LEU HG H 0.972 . . 347 37 32 LEU HD1 H 1.172 . . 348 37 32 LEU HD2 H 1.172 . . 349 37 32 LEU C C 177.535 . . 350 37 32 LEU CA C 57.742 . . 351 37 32 LEU CB C 44.251 . . 352 37 32 LEU CG C 26.233 . . 353 37 32 LEU CD1 C 23.772 . . 354 37 32 LEU CD2 C 23.772 . . 355 37 32 LEU N N 124.789 . . 356 38 33 THR H H 8.189 . . 357 38 33 THR HA H 4.619 . . 358 38 33 THR HB H 4.581 . . 359 38 33 THR HG2 H 1.147 . . 360 38 33 THR C C 173.947 . . 361 38 33 THR CA C 58.944 . . 362 38 33 THR CB C 71.818 . . 363 38 33 THR CG2 C 22.014 . . 364 38 33 THR N N 108.556 . . 365 39 34 SER H H 8.590 . . 366 39 34 SER HA H 4.057 . . 367 39 34 SER HB2 H 3.926 . . 368 39 34 SER HB3 H 3.926 . . 369 39 34 SER C C 174.904 . . 370 39 34 SER CA C 60.938 . . 371 39 34 SER CB C 63.218 . . 372 39 34 SER N N 110.757 . . 373 40 35 THR H H 7.570 . . 374 40 35 THR HA H 4.453 . . 375 40 35 THR HB H 4.450 . . 376 40 35 THR HG2 H 1.058 . . 377 40 35 THR C C 174.928 . . 378 40 35 THR CA C 60.351 . . 379 40 35 THR CB C 69.910 . . 380 40 35 THR CG2 C 21.575 . . 381 40 35 THR N N 129.807 . . 382 41 36 LYS H H 7.425 . . 383 41 36 LYS HA H 4.712 . . 384 41 36 LYS HB2 H 1.635 . . 385 41 36 LYS HB3 H 1.813 . . 386 41 36 LYS HG2 H 1.443 . . 387 41 36 LYS HG3 H 1.462 . . 388 41 36 LYS HD2 H 1.695 . . 389 41 36 LYS HD3 H 1.699 . . 390 41 36 LYS HE2 H 3.000 . . 391 41 36 LYS HE3 H 3.000 . . 392 41 36 LYS C C 174.907 . . 393 41 36 LYS CA C 55.738 . . 394 41 36 LYS CB C 37.042 . . 395 41 36 LYS CG C 24.739 . . 396 41 36 LYS CD C 29.133 . . 397 41 36 LYS CE C 42.103 . . 398 41 36 LYS N N 125.614 . . 399 42 37 TRP H H 8.590 . . 400 42 37 TRP HA H 5.102 . . 401 42 37 TRP HB2 H 3.362 . . 402 42 37 TRP HB3 H 2.985 . . 403 42 37 TRP HD1 H 7.266 . . 404 42 37 TRP HE1 H 10.550 . . 405 42 37 TRP HE3 H 7.537 . . 406 42 37 TRP HZ2 H 7.339 . . 407 42 37 TRP HZ3 H 7.117 . . 408 42 37 TRP HH2 H 7.551 . . 409 42 37 TRP C C 173.384 . . 410 42 37 TRP CA C 54.402 . . 411 42 37 TRP CB C 29.891 . . 412 42 37 TRP CD1 C 128.300 . . 413 42 37 TRP CZ2 C 113.000 . . 414 42 37 TRP CZ3 C 123.600 . . 415 42 37 TRP CH2 C 124.500 . . 416 42 37 TRP N N 124.827 . . 417 42 37 TRP NE1 N 129.000 . . 418 43 38 PRO HA H 4.447 . . 419 43 38 PRO HB2 H 1.785 . . 420 43 38 PRO HB3 H 1.785 . . 421 43 38 PRO HG2 H 1.489 . . 422 43 38 PRO HG3 H 1.489 . . 423 43 38 PRO HD2 H 3.946 . . 424 43 38 PRO HD3 H 4.050 . . 425 43 38 PRO C C 174.990 . . 426 43 38 PRO CA C 62.551 . . 427 43 38 PRO CB C 32.095 . . 428 43 38 PRO CG C 26.606 . . 429 43 38 PRO CD C 51.165 . . 430 44 39 GLU H H 8.134 . . 431 44 39 GLU HA H 3.965 . . 432 44 39 GLU HB2 H 1.776 . . 433 44 39 GLU HB3 H 1.902 . . 434 44 39 GLU HG2 H 2.277 . . 435 44 39 GLU HG3 H 2.179 . . 436 44 39 GLU C C 175.699 . . 437 44 39 GLU CA C 56.206 . . 438 44 39 GLU CB C 29.582 . . 439 44 39 GLU CG C 35.797 . . 440 44 39 GLU N N 120.080 . . 441 45 40 LEU H H 8.363 . . 442 45 40 LEU HA H 3.963 . . 443 45 40 LEU HB2 H 1.312 . . 444 45 40 LEU HB3 H 1.312 . . 445 45 40 LEU HG H 0.630 . . 446 45 40 LEU HD1 H 0.628 . . 447 45 40 LEU HD2 H 0.615 . . 448 45 40 LEU C C 176.242 . . 449 45 40 LEU CA C 51.731 . . 450 45 40 LEU CB C 41.312 . . 451 45 40 LEU CG C 26.022 . . 452 45 40 LEU CD1 C 22.557 . . 453 45 40 LEU CD2 C 22.557 . . 454 45 40 LEU N N 125.972 . . 455 46 41 PRO HA H 4.174 . . 456 46 41 PRO HB2 H 1.813 . . 457 46 41 PRO HB3 H 1.944 . . 458 46 41 PRO HG2 H 1.932 . . 459 46 41 PRO HG3 H 1.932 . . 460 46 41 PRO HD2 H 3.410 . . 461 46 41 PRO HD3 H 3.410 . . 462 46 41 PRO C C 177.702 . . 463 46 41 PRO CA C 63.820 . . 464 46 41 PRO CB C 31.561 . . 465 46 41 PRO CG C 26.956 . . 466 46 41 PRO CD C 49.802 . . 467 47 42 VAL H H 7.836 . . 468 47 42 VAL HA H 4.235 . . 469 47 42 VAL HB H 1.915 . . 470 47 42 VAL HG1 H 0.761 . . 471 47 42 VAL HG2 H 0.864 . . 472 47 42 VAL C C 175.178 . . 473 47 42 VAL CA C 62.016 . . 474 47 42 VAL CB C 32.148 . . 475 47 42 VAL CG1 C 20.041 . . 476 47 42 VAL CG2 C 22.405 . . 477 47 42 VAL N N 119.474 . . 478 48 43 LYS H H 8.638 . . 479 48 43 LYS HA H 4.309 . . 480 48 43 LYS HB2 H 1.608 . . 481 48 43 LYS HB3 H 2.120 . . 482 48 43 LYS HG2 H 1.390 . . 483 48 43 LYS HG3 H 1.390 . . 484 48 43 LYS HD2 H 1.756 . . 485 48 43 LYS HD3 H 1.754 . . 486 48 43 LYS HE2 H 3.101 . . 487 48 43 LYS HE3 H 3.101 . . 488 48 43 LYS C C 176.534 . . 489 48 43 LYS CA C 57.141 . . 490 48 43 LYS CB C 33.832 . . 491 48 43 LYS CG C 25.556 . . 492 48 43 LYS CD C 29.232 . . 493 48 43 LYS CE C 42.012 . . 494 48 43 LYS N N 124.385 . . 495 49 44 GLU H H 7.473 . . 496 49 44 GLU HA H 5.231 . . 497 49 44 GLU HB2 H 1.954 . . 498 49 44 GLU HB3 H 1.944 . . 499 49 44 GLU HG2 H 2.216 . . 500 49 44 GLU HG3 H 2.216 . . 501 49 44 GLU C C 174.552 . . 502 49 44 GLU CA C 55.271 . . 503 49 44 GLU CB C 33.297 . . 504 49 44 GLU CG C 36.234 . . 505 49 44 GLU N N 118.262 . . 506 50 45 ALA H H 8.902 . . 507 50 45 ALA HA H 4.451 . . 508 50 45 ALA HB H 1.207 . . 509 50 45 ALA C C 177.890 . . 510 50 45 ALA CA C 53.133 . . 511 50 45 ALA CB C 23.613 . . 512 50 45 ALA N N 124.186 . . 513 51 46 GLY H H 9.113 . . 514 51 46 GLY HA2 H 4.103 . . 515 51 46 GLY HA3 H 4.112 . . 516 51 46 GLY C C 173.759 . . 517 51 46 GLY CA C 47.657 . . 518 51 46 GLY N N 109.041 . . 519 52 47 GLY H H 8.873 . . 520 52 47 GLY HA2 H 4.183 . . 521 52 47 GLY HA3 H 3.545 . . 522 52 47 GLY C C 174.156 . . 523 52 47 GLY CA C 45.520 . . 524 52 47 GLY N N 104.272 . . 525 53 48 PHE H H 8.278 . . 526 53 48 PHE HA H 5.157 . . 527 53 48 PHE HB2 H 2.735 . . 528 53 48 PHE HB3 H 3.145 . . 529 53 48 PHE HD1 H 7.097 . . 530 53 48 PHE HE1 H 6.984 . . 531 53 48 PHE HE2 H 6.677 . . 532 53 48 PHE HZ H 6.827 . . 533 53 48 PHE C C 175.574 . . 534 53 48 PHE CA C 56.940 . . 535 53 48 PHE CB C 41.379 . . 536 53 48 PHE CD1 C 130.400 . . 537 53 48 PHE CE1 C 132.500 . . 538 53 48 PHE CE2 C 130.750 . . 539 53 48 PHE CZ C 129.210 . . 540 53 48 PHE N N 120.324 . . 541 54 49 CYS H H 9.911 . . 542 54 49 CYS HA H 5.660 . . 543 54 49 CYS HB2 H 3.219 . . 544 54 49 CYS HB3 H 3.769 . . 545 54 49 CYS C C 173.092 . . 546 54 49 CYS CA C 54.997 . . 547 54 49 CYS CB C 44.496 . . 548 54 49 CYS N N 116.465 . . 549 55 50 ILE H H 7.971 . . 550 55 50 ILE HA H 5.311 . . 551 55 50 ILE HB H 1.505 . . 552 55 50 ILE HG12 H 1.324 . . 553 55 50 ILE HG13 H 1.326 . . 554 55 50 ILE HG2 H 0.628 . . 555 55 50 ILE HD1 H 0.554 . . 556 55 50 ILE C C 175.366 . . 557 55 50 ILE CA C 60.480 . . 558 55 50 ILE CB C 40.699 . . 559 55 50 ILE CG1 C 28.332 . . 560 55 50 ILE CG2 C 18.743 . . 561 55 50 ILE CD1 C 14.933 . . 562 55 50 ILE N N 119.910 . . 563 56 51 ARG H H 8.927 . . 564 56 51 ARG HA H 4.621 . . 565 56 51 ARG HB2 H 1.194 . . 566 56 51 ARG HB3 H 1.913 . . 567 56 51 ARG HG2 H 1.487 . . 568 56 51 ARG HG3 H 0.920 . . 569 56 51 ARG HD2 H 1.739 . . 570 56 51 ARG HD3 H 0.281 . . 571 56 51 ARG C C 174.948 . . 572 56 51 ARG CA C 53.467 . . 573 56 51 ARG CB C 36.410 . . 574 56 51 ARG CG C 26.324 . . 575 56 51 ARG CD C 41.975 . . 576 56 51 ARG N N 122.445 . . 577 57 52 MET H H 9.022 . . 578 57 52 MET HA H 4.574 . . 579 57 52 MET HB2 H 1.086 . . 580 57 52 MET HB3 H 1.613 . . 581 57 52 MET HG2 H 1.201 . . 582 57 52 MET HG3 H 1.201 . . 583 57 52 MET HE H 1.383 . . 584 57 52 MET C C 175.845 . . 585 57 52 MET CA C 55.204 . . 586 57 52 MET CB C 32.162 . . 587 57 52 MET CG C 32.152 . . 588 57 52 MET CE C 16.530 . . 589 57 52 MET N N 119.875 . . 590 58 53 SER H H 8.559 . . 591 58 53 SER HA H 5.138 . . 592 58 53 SER HB2 H 3.317 . . 593 58 53 SER HB3 H 3.749 . . 594 58 53 SER C C 175.866 . . 595 58 53 SER CA C 56.084 . . 596 58 53 SER CB C 63.977 . . 597 58 53 SER N N 114.338 . . 598 59 54 GLY H H 8.919 . . 599 59 54 GLY HA2 H 3.886 . . 600 59 54 GLY HA3 H 4.548 . . 601 59 54 GLY C C 172.257 . . 602 59 54 GLY CA C 43.702 . . 603 59 54 GLY N N 116.880 . . 604 60 55 GLN H H 8.575 . . 605 60 55 GLN HA H 4.391 . . 606 60 55 GLN HB2 H 2.057 . . 607 60 55 GLN HB3 H 2.269 . . 608 60 55 GLN HG2 H 2.450 . . 609 60 55 GLN HG3 H 2.452 . . 610 60 55 GLN C C 177.222 . . 611 60 55 GLN CA C 56.005 . . 612 60 55 GLN CB C 28.842 . . 613 60 55 GLN CG C 34.149 . . 614 60 55 GLN N N 121.745 . . 615 61 56 ALA H H 8.576 . . 616 61 56 ALA HA H 3.399 . . 617 61 56 ALA HB H -0.154 . . 618 61 56 ALA C C 178.704 . . 619 61 56 ALA CA C 55.289 . . 620 61 56 ALA CB C 15.932 . . 621 61 56 ALA N N 128.305 . . 622 62 57 LYS H H 8.272 . . 623 62 57 LYS HA H 4.176 . . 624 62 57 LYS HB2 H 1.663 . . 625 62 57 LYS HB3 H 1.810 . . 626 62 57 LYS HG2 H 1.306 . . 627 62 57 LYS HG3 H 1.304 . . 628 62 57 LYS HD2 H 1.576 . . 629 62 57 LYS HD3 H 1.578 . . 630 62 57 LYS HE2 H 2.895 . . 631 62 57 LYS HE3 H 2.896 . . 632 62 57 LYS C C 177.327 . . 633 62 57 LYS CA C 58.076 . . 634 62 57 LYS CB C 32.295 . . 635 62 57 LYS CG C 24.150 . . 636 62 57 LYS CD C 29.280 . . 637 62 57 LYS CE C 42.014 . . 638 62 57 LYS N N 114.337 . . 639 63 58 GLY H H 7.813 . . 640 63 58 GLY HA2 H 4.185 . . 641 63 58 GLY HA3 H 3.917 . . 642 63 58 GLY C C 173.759 . . 643 63 58 GLY CA C 44.785 . . 644 63 58 GLY N N 107.059 . . 645 64 59 ILE H H 7.256 . . 646 64 59 ILE HA H 4.456 . . 647 64 59 ILE HB H 2.085 . . 648 64 59 ILE HG12 H 1.711 . . 649 64 59 ILE HG13 H 1.726 . . 650 64 59 ILE HG2 H 1.378 . . 651 64 59 ILE HD1 H 1.020 . . 652 64 59 ILE C C 176.033 . . 653 64 59 ILE CA C 58.543 . . 654 64 59 ILE CB C 37.972 . . 655 64 59 ILE CG1 C 28.063 . . 656 64 59 ILE CG2 C 18.150 . . 657 64 59 ILE CD1 C 10.847 . . 658 64 59 ILE N N 122.496 . . 659 65 60 LEU H H 8.417 . . 660 65 60 LEU HA H 4.253 . . 661 65 60 LEU HB2 H 1.595 . . 662 65 60 LEU HB3 H 1.690 . . 663 65 60 LEU HG H 1.902 . . 664 65 60 LEU HD1 H 0.971 . . 665 65 60 LEU HD2 H 0.954 . . 666 65 60 LEU C C 178.203 . . 667 65 60 LEU CA C 55.538 . . 668 65 60 LEU CB C 42.536 . . 669 65 60 LEU CG C 27.193 . . 670 65 60 LEU CD1 C 24.846 . . 671 65 60 LEU CD2 C 22.933 . . 672 65 60 LEU N N 128.858 . . 673 66 61 GLU H H 8.590 . . 674 66 61 GLU HA H 4.241 . . 675 66 61 GLU HB2 H 2.335 . . 676 66 61 GLU HB3 H 2.335 . . 677 66 61 GLU HG2 H 2.496 . . 678 66 61 GLU HG3 H 2.598 . . 679 66 61 GLU C C 177.436 . . 680 66 61 GLU CA C 57.258 . . 681 66 61 GLU CB C 29.099 . . 682 66 61 GLU CG C 36.149 . . 683 66 61 GLU N N 119.109 . . 684 67 62 GLY H H 9.498 . . 685 67 62 GLY HA2 H 4.502 . . 686 67 62 GLY HA3 H 3.723 . . 687 67 62 GLY C C 173.551 . . 688 67 62 GLY CA C 46.121 . . 689 67 62 GLY N N 108.490 . . 690 68 63 LYS H H 7.604 . . 691 68 63 LYS HA H 4.796 . . 692 68 63 LYS HB2 H 1.819 . . 693 68 63 LYS HB3 H 1.817 . . 694 68 63 LYS HG2 H 1.319 . . 695 68 63 LYS HG3 H 1.217 . . 696 68 63 LYS HD2 H 1.591 . . 697 68 63 LYS HD3 H 1.606 . . 698 68 63 LYS HE2 H 2.895 . . 699 68 63 LYS HE3 H 2.896 . . 700 68 63 LYS C C 175.637 . . 701 68 63 LYS CA C 54.269 . . 702 68 63 LYS CB C 35.702 . . 703 68 63 LYS CG C 24.759 . . 704 68 63 LYS CD C 28.671 . . 705 68 63 LYS CE C 42.192 . . 706 68 63 LYS N N 117.773 . . 707 69 64 PHE H H 8.439 . . 708 69 64 PHE HA H 4.472 . . 709 69 64 PHE HB2 H 2.659 . . 710 69 64 PHE HB3 H 2.649 . . 711 69 64 PHE HD2 H 6.684 . . 712 69 64 PHE HE1 H 6.827 . . 713 69 64 PHE HE2 H 6.941 . . 714 69 64 PHE HZ H 7.112 . . 715 69 64 PHE C C 172.591 . . 716 69 64 PHE CA C 59.078 . . 717 69 64 PHE CB C 40.377 . . 718 69 64 PHE CD2 C 131.170 . . 719 69 64 PHE CE1 C 129.330 . . 720 69 64 PHE CE2 C 131.400 . . 721 69 64 PHE CZ C 130.500 . . 722 69 64 PHE N N 114.518 . . 723 70 65 THR H H 8.474 . . 724 70 65 THR HA H 4.602 . . 725 70 65 THR HB H 3.987 . . 726 70 65 THR HG2 H 1.086 . . 727 70 65 THR C C 172.508 . . 728 70 65 THR CA C 62.484 . . 729 70 65 THR CB C 71.367 . . 730 70 65 THR CG2 C 21.434 . . 731 70 65 THR N N 115.260 . . 732 71 66 LEU H H 9.284 . . 733 71 66 LEU HA H 4.508 . . 734 71 66 LEU HB2 H 1.161 . . 735 71 66 LEU HB3 H 1.881 . . 736 71 66 LEU HG H 0.823 . . 737 71 66 LEU HD1 H 0.690 . . 738 71 66 LEU HD2 H 0.690 . . 739 71 66 LEU CA C 53.935 . . 740 71 66 LEU CB C 46.855 . . 741 71 66 LEU CG C 29.106 . . 742 71 66 LEU CD1 C 26.324 . . 743 71 66 LEU CD2 C 26.324 . . 744 71 66 LEU N N 128.144 . . 745 72 67 LYS H H 9.123 . . 746 72 67 LYS HA H 5.388 . . 747 72 67 LYS HB2 H 1.415 . . 748 72 67 LYS HB3 H 1.801 . . 749 72 67 LYS HG2 H 1.193 . . 750 72 67 LYS HG3 H 0.900 . . 751 72 67 LYS HD2 H 1.415 . . 752 72 67 LYS HD3 H 1.230 . . 753 72 67 LYS HE2 H 2.500 . . 754 72 67 LYS HE3 H 2.110 . . 755 72 67 LYS C C 171.972 . . 756 72 67 LYS CA C 54.402 . . 757 72 67 LYS CB C 38.592 . . 758 72 67 LYS CG C 25.019 . . 759 72 67 LYS CD C 31.086 . . 760 72 67 LYS CE C 40.700 . . 761 72 67 LYS N N 122.603 . . 762 73 68 ALA H H 9.178 . . 763 73 68 ALA HA H 5.851 . . 764 73 68 ALA HB H 0.982 . . 765 73 68 ALA C C 175.324 . . 766 73 68 ALA CA C 49.126 . . 767 73 68 ALA CB C 21.476 . . 768 73 68 ALA N N 128.927 . . 769 74 69 VAL H H 8.727 . . 770 74 69 VAL HA H 4.139 . . 771 74 69 VAL HB H 1.539 . . 772 74 69 VAL HG1 H 0.795 . . 773 74 69 VAL HG2 H -0.193 . . 774 74 69 VAL C C 173.425 . . 775 74 69 VAL CA C 60.850 . . 776 74 69 VAL CB C 35.768 . . 777 74 69 VAL CG1 C 21.020 . . 778 74 69 VAL CG2 C 22.044 . . 779 74 69 VAL N N 123.425 . . 780 75 70 ALA H H 9.164 . . 781 75 70 ALA HA H 3.658 . . 782 75 70 ALA HB H 0.863 . . 783 75 70 ALA C C 177.327 . . 784 75 70 ALA CA C 53.200 . . 785 75 70 ALA CB C 19.606 . . 786 75 70 ALA N N 130.762 . . 787 76 71 LEU H H 8.269 . . 788 76 71 LEU HA H 3.794 . . 789 76 71 LEU HB2 H 1.502 . . 790 76 71 LEU HB3 H 1.413 . . 791 76 71 LEU HG H 1.413 . . 792 76 71 LEU HD1 H 0.778 . . 793 76 71 LEU HD2 H 0.880 . . 794 76 71 LEU C C 178.036 . . 795 76 71 LEU CA C 58.276 . . 796 76 71 LEU CB C 41.846 . . 797 76 71 LEU CG C 28.324 . . 798 76 71 LEU CD1 C 25.367 . . 799 76 71 LEU CD2 C 23.889 . . 800 76 71 LEU N N 119.175 . . 801 77 72 ASP H H 7.715 . . 802 77 72 ASP HA H 4.796 . . 803 77 72 ASP HB2 H 2.940 . . 804 77 72 ASP HB3 H 2.352 . . 805 77 72 ASP C C 176.012 . . 806 77 72 ASP CA C 51.731 . . 807 77 72 ASP CB C 40.176 . . 808 77 72 ASP N N 115.777 . . 809 78 73 ARG H H 8.408 . . 810 78 73 ARG HA H 4.083 . . 811 78 73 ARG HB2 H 1.909 . . 812 78 73 ARG HB3 H 1.650 . . 813 78 73 ARG HG2 H 1.650 . . 814 78 73 ARG HG3 H 1.652 . . 815 78 73 ARG HD2 H 3.225 . . 816 78 73 ARG HD3 H 3.223 . . 817 78 73 ARG C C 177.869 . . 818 78 73 ARG CA C 57.408 . . 819 78 73 ARG CB C 29.624 . . 820 78 73 ARG CG C 27.532 . . 821 78 73 ARG CD C 43.279 . . 822 78 73 ARG N N 122.846 . . 823 79 74 GLU H H 7.888 . . 824 79 74 GLU HA H 4.019 . . 825 79 74 GLU HB2 H 2.039 . . 826 79 74 GLU HB3 H 2.048 . . 827 79 74 GLU HG2 H 2.169 . . 828 79 74 GLU HG3 H 2.183 . . 829 79 74 GLU C C 177.930 . . 830 79 74 GLU CA C 58.324 . . 831 79 74 GLU CB C 29.134 . . 832 79 74 GLU CG C 36.345 . . 833 79 74 GLU N N 118.091 . . 834 80 75 ALA H H 7.175 . . 835 80 75 ALA HA H 4.102 . . 836 80 75 ALA HB H 1.271 . . 837 80 75 ALA C C 178.142 . . 838 80 75 ALA CA C 53.067 . . 839 80 75 ALA CB C 19.272 . . 840 80 75 ALA N N 120.528 . . 841 81 76 GLU H H 7.457 . . 842 81 76 GLU HA H 4.762 . . 843 81 76 GLU HB2 H 1.665 . . 844 81 76 GLU HB3 H 1.739 . . 845 81 76 GLU HG2 H 2.183 . . 846 81 76 GLU HG3 H 2.198 . . 847 81 76 GLU C C 171.047 . . 848 81 76 GLU CA C 52.198 . . 849 81 76 GLU CB C 30.693 . . 850 81 76 GLU CG C 37.927 . . 851 81 76 GLU N N 115.377 . . 852 82 77 PRO HA H 4.697 . . 853 82 77 PRO HB2 H 2.123 . . 854 82 77 PRO HB3 H 2.415 . . 855 82 77 PRO HG2 H 2.080 . . 856 82 77 PRO HG3 H 2.082 . . 857 82 77 PRO HD2 H 3.843 . . 858 82 77 PRO HD3 H 3.844 . . 859 82 77 PRO C C 177.636 . . 860 82 77 PRO CA C 62.591 . . 861 82 77 PRO CB C 32.832 . . 862 82 77 PRO CG C 26.539 . . 863 82 77 PRO CD C 50.454 . . 864 83 78 ARG H H 8.554 . . 865 83 78 ARG HA H 4.574 . . 866 83 78 ARG HB2 H 1.472 . . 867 83 78 ARG HB3 H 1.828 . . 868 83 78 ARG HG2 H 1.807 . . 869 83 78 ARG HG3 H 1.815 . . 870 83 78 ARG HD2 H 2.837 . . 871 83 78 ARG HD3 H 3.339 . . 872 83 78 ARG C C 176.870 . . 873 83 78 ARG CA C 57.044 . . 874 83 78 ARG CB C 31.176 . . 875 83 78 ARG CG C 26.894 . . 876 83 78 ARG CD C 43.904 . . 877 83 78 ARG N N 118.488 . . 878 84 79 VAL H H 8.304 . . 879 84 79 VAL HA H 5.027 . . 880 84 79 VAL HB H 1.925 . . 881 84 79 VAL HG1 H 0.897 . . 882 84 79 VAL HG2 H 0.615 . . 883 84 79 VAL C C 174.302 . . 884 84 79 VAL CA C 58.543 . . 885 84 79 VAL CB C 34.690 . . 886 84 79 VAL CG1 C 23.793 . . 887 84 79 VAL CG2 C 18.743 . . 888 84 79 VAL N N 111.376 . . 889 85 80 LEU H H 8.095 . . 890 85 80 LEU HA H 5.328 . . 891 85 80 LEU HB2 H 0.973 . . 892 85 80 LEU HB3 H 1.095 . . 893 85 80 LEU HG H 1.028 . . 894 85 80 LEU HD1 H 0.109 . . 895 85 80 LEU HD2 H 0.112 . . 896 85 80 LEU C C 175.491 . . 897 85 80 LEU CA C 52.866 . . 898 85 80 LEU CB C 47.122 . . 899 85 80 LEU CG C 26.982 . . 900 85 80 LEU CD1 C 24.856 . . 901 85 80 LEU CD2 C 24.856 . . 902 85 80 LEU N N 122.000 . . 903 86 81 ARG H H 8.851 . . 904 86 81 ARG HA H 5.470 . . 905 86 81 ARG HB2 H 1.529 . . 906 86 81 ARG HB3 H 1.699 . . 907 86 81 ARG HG2 H 1.326 . . 908 86 81 ARG HG3 H 1.326 . . 909 86 81 ARG HD2 H 3.415 . . 910 86 81 ARG HD3 H 3.074 . . 911 86 81 ARG C C 174.928 . . 912 86 81 ARG CA C 54.202 . . 913 86 81 ARG CB C 35.635 . . 914 86 81 ARG CG C 27.799 . . 915 86 81 ARG CD C 43.880 . . 916 86 81 ARG N N 119.409 . . 917 87 82 LEU H H 8.798 . . 918 87 82 LEU HA H 5.074 . . 919 87 82 LEU HB2 H 1.340 . . 920 87 82 LEU HB3 H 1.595 . . 921 87 82 LEU HG H 0.806 . . 922 87 82 LEU HD1 H 0.791 . . 923 87 82 LEU HD2 H 0.793 . . 924 87 82 LEU C C 174.406 . . 925 87 82 LEU CA C 55.004 . . 926 87 82 LEU CB C 48.124 . . 927 87 82 LEU CG C 28.065 . . 928 87 82 LEU CD1 C 26.539 . . 929 87 82 LEU CD2 C 26.451 . . 930 87 82 LEU N N 122.550 . . 931 88 83 ASN H H 7.376 . . 932 88 83 ASN HA H 5.423 . . 933 88 83 ASN HB2 H 3.367 . . 934 88 83 ASN HB3 H 2.745 . . 935 88 83 ASN C C 176.576 . . 936 88 83 ASN CA C 50.863 . . 937 88 83 ASN CB C 40.577 . . 938 88 83 ASN N N 125.347 . . 939 89 84 GLU H H 7.586 . . 940 89 84 GLU HA H 3.396 . . 941 89 84 GLU HB2 H 1.661 . . 942 89 84 GLU HB3 H 1.312 . . 943 89 84 GLU HG2 H 2.793 . . 944 89 84 GLU HG3 H 2.791 . . 945 89 84 GLU C C 176.684 . . 946 89 84 GLU CA C 58.540 . . 947 89 84 GLU CB C 27.870 . . 948 89 84 GLU CG C 34.867 . . 949 89 84 GLU N N 114.953 . . 950 90 85 SER H H 7.385 . . 951 90 85 SER HA H 4.442 . . 952 90 85 SER HB2 H 3.961 . . 953 90 85 SER HB3 H 3.961 . . 954 90 85 SER C C 174.051 . . 955 90 85 SER CA C 58.895 . . 956 90 85 SER CB C 63.886 . . 957 90 85 SER N N 117.110 . . 958 91 86 LEU H H 8.704 . . 959 91 86 LEU HA H 3.697 . . 960 91 86 LEU HB2 H 1.576 . . 961 91 86 LEU HB3 H 2.217 . . 962 91 86 LEU HG H 1.443 . . 963 91 86 LEU HD1 H 0.924 . . 964 91 86 LEU HD2 H 0.850 . . 965 91 86 LEU C C 175.825 . . 966 91 86 LEU CA C 56.042 . . 967 91 86 LEU CB C 37.705 . . 968 91 86 LEU CG C 27.354 . . 969 91 86 LEU CD1 C 25.133 . . 970 91 86 LEU CD2 C 22.907 . . 971 91 86 LEU N N 116.559 . . 972 92 87 THR H H 7.704 . . 973 92 87 THR HA H 4.254 . . 974 92 87 THR HB H 3.980 . . 975 92 87 THR HG2 H 1.060 . . 976 92 87 THR C C 173.425 . . 977 92 87 THR CA C 62.617 . . 978 92 87 THR CB C 69.096 . . 979 92 87 THR CG2 C 21.757 . . 980 92 87 THR N N 115.529 . . 981 93 88 ALA H H 9.002 . . 982 93 88 ALA HA H 5.687 . . 983 93 88 ALA HB H 1.472 . . 984 93 88 ALA C C 177.201 . . 985 93 88 ALA CA C 50.262 . . 986 93 88 ALA CB C 21.810 . . 987 93 88 ALA N N 130.459 . . 988 94 89 VAL H H 8.833 . . 989 94 89 VAL HA H 4.904 . . 990 94 89 VAL HB H 1.802 . . 991 94 89 VAL HG1 H 0.806 . . 992 94 89 VAL HG2 H 0.732 . . 993 94 89 VAL C C 173.613 . . 994 94 89 VAL CA C 59.679 . . 995 94 89 VAL CB C 36.036 . . 996 94 89 VAL CG1 C 19.806 . . 997 94 89 VAL CG2 C 21.755 . . 998 94 89 VAL N N 117.872 . . 999 95 90 VAL H H 9.286 . . 1000 95 90 VAL HA H 5.253 . . 1001 95 90 VAL HB H 1.765 . . 1002 95 90 VAL HG1 H 1.089 . . 1003 95 90 VAL HG2 H 0.867 . . 1004 95 90 VAL C C 174.552 . . 1005 95 90 VAL CA C 57.942 . . 1006 95 90 VAL CB C 34.900 . . 1007 95 90 VAL CG1 C 19.097 . . 1008 95 90 VAL CG2 C 21.844 . . 1009 95 90 VAL N N 121.842 . . 1010 96 91 CYS H H 9.452 . . 1011 96 91 CYS HA H 5.423 . . 1012 96 91 CYS HB2 H 2.755 . . 1013 96 91 CYS HB3 H 3.320 . . 1014 96 91 CYS C C 174.135 . . 1015 96 91 CYS CA C 54.269 . . 1016 96 91 CYS CB C 46.455 . . 1017 96 91 CYS N N 126.839 . . 1018 97 92 GLY H H 8.355 . . 1019 97 92 GLY HA2 H 3.980 . . 1020 97 92 GLY HA3 H 3.980 . . 1021 97 92 GLY C C 172.639 . . 1022 97 92 GLY CA C 46.388 . . 1023 97 92 GLY N N 109.718 . . 1024 98 93 LYS H H 7.632 . . 1025 98 93 LYS HA H 4.744 . . 1026 98 93 LYS HB2 H 1.520 . . 1027 98 93 LYS HB3 H 1.680 . . 1028 98 93 LYS HG2 H 1.191 . . 1029 98 93 LYS HG3 H 1.191 . . 1030 98 93 LYS HD2 H 1.606 . . 1031 98 93 LYS HD3 H 1.606 . . 1032 98 93 LYS HE2 H 2.895 . . 1033 98 93 LYS HE3 H 2.896 . . 1034 98 93 LYS C C 174.051 . . 1035 98 93 LYS CA C 54.336 . . 1036 98 93 LYS CB C 35.528 . . 1037 98 93 LYS CG C 24.059 . . 1038 98 93 LYS CD C 29.020 . . 1039 98 93 LYS CE C 42.103 . . 1040 98 93 LYS N N 114.844 . . 1041 99 94 MET H H 8.759 . . 1042 99 94 MET HA H 5.017 . . 1043 99 94 MET HB2 H 1.718 . . 1044 99 94 MET HB3 H 2.029 . . 1045 99 94 MET HG2 H 2.496 . . 1046 99 94 MET HG3 H 2.495 . . 1047 99 94 MET HE H 1.790 . . 1048 99 94 MET C C 176.337 . . 1049 99 94 MET CA C 54.803 . . 1050 99 94 MET CB C 34.646 . . 1051 99 94 MET CG C 31.412 . . 1052 99 94 MET CE C 17.100 . . 1053 99 94 MET N N 124.801 . . 1054 100 95 LYS H H 8.602 . . 1055 100 95 LYS HA H 4.376 . . 1056 100 95 LYS HB2 H 1.802 . . 1057 100 95 LYS HB3 H 1.802 . . 1058 100 95 LYS HG2 H 1.326 . . 1059 100 95 LYS HG3 H 1.326 . . 1060 100 95 LYS HD2 H 1.591 . . 1061 100 95 LYS HD3 H 1.593 . . 1062 100 95 LYS HE2 H 2.895 . . 1063 100 95 LYS HE3 H 2.880 . . 1064 100 95 LYS C C 177.222 . . 1065 100 95 LYS CA C 56.455 . . 1066 100 95 LYS CB C 32.429 . . 1067 100 95 LYS CG C 24.856 . . 1068 100 95 LYS CD C 28.577 . . 1069 100 95 LYS CE C 41.866 . . 1070 100 95 LYS N N 126.252 . . 1071 101 96 GLY H H 8.385 . . 1072 101 96 GLY HA2 H 4.112 . . 1073 101 96 GLY HA3 H 4.112 . . 1074 101 96 GLY C C 173.613 . . 1075 101 96 GLY CA C 44.585 . . 1076 101 96 GLY N N 108.944 . . 1077 102 97 LYS H H 8.436 . . 1078 102 97 LYS HA H 4.414 . . 1079 102 97 LYS HB2 H 1.774 . . 1080 102 97 LYS HB3 H 1.953 . . 1081 102 97 LYS HG2 H 1.472 . . 1082 102 97 LYS HG3 H 1.472 . . 1083 102 97 LYS HD2 H 1.665 . . 1084 102 97 LYS HD3 H 1.680 . . 1085 102 97 LYS HE2 H 3.000 . . 1086 102 97 LYS HE3 H 2.998 . . 1087 102 97 LYS C C 176.867 . . 1088 102 97 LYS CA C 55.872 . . 1089 102 97 LYS CB C 33.023 . . 1090 102 97 LYS CG C 24.767 . . 1091 102 97 LYS CD C 29.020 . . 1092 102 97 LYS CE C 42.132 . . 1093 102 97 LYS N N 118.594 . . 1094 103 98 GLY H H 8.443 . . 1095 103 98 GLY HA2 H 4.244 . . 1096 103 98 GLY HA3 H 4.074 . . 1097 103 98 GLY C C 171.631 . . 1098 103 98 GLY CA C 45.920 . . 1099 103 98 GLY N N 110.581 . . 1100 104 99 SER H H 8.535 . . 1101 104 99 SER HA H 4.697 . . 1102 104 99 SER HB2 H 3.905 . . 1103 104 99 SER HB3 H 4.131 . . 1104 104 99 SER C C 174.680 . . 1105 104 99 SER CA C 57.331 . . 1106 104 99 SER CB C 66.178 . . 1107 104 99 SER N N 113.710 . . 1108 105 100 CYS H H 10.009 . . 1109 105 100 CYS HA H 4.612 . . 1110 105 100 CYS HB2 H 3.245 . . 1111 105 100 CYS HB3 H 3.075 . . 1112 105 100 CYS C C 176.502 . . 1113 105 100 CYS CA C 57.136 . . 1114 105 100 CYS CB C 40.412 . . 1115 105 100 CYS N N 118.835 . . 1116 106 101 THR H H 8.030 . . 1117 106 101 THR HA H 4.574 . . 1118 106 101 THR HB H 4.631 . . 1119 106 101 THR HG2 H 1.149 . . 1120 106 101 THR C C 175.178 . . 1121 106 101 THR CA C 61.014 . . 1122 106 101 THR CB C 68.495 . . 1123 106 101 THR CG2 C 21.401 . . 1124 106 101 THR N N 107.957 . . 1125 107 102 ASP H H 7.531 . . 1126 107 102 ASP HA H 4.320 . . 1127 107 102 ASP HB2 H 2.849 . . 1128 107 102 ASP HB3 H 3.273 . . 1129 107 102 ASP C C 177.264 . . 1130 107 102 ASP CA C 55.004 . . 1131 107 102 ASP CB C 40.844 . . 1132 107 102 ASP N N 120.763 . . 1133 108 103 GLY H H 8.591 . . 1134 108 103 GLY HA2 H 4.084 . . 1135 108 103 GLY HA3 H 3.697 . . 1136 108 103 GLY C C 174.698 . . 1137 108 103 GLY CA C 45.653 . . 1138 108 103 GLY N N 108.602 . . 1139 109 104 GLU H H 8.292 . . 1140 109 104 GLU HA H 4.452 . . 1141 109 104 GLU HB2 H 2.057 . . 1142 109 104 GLU HB3 H 2.198 . . 1143 109 104 GLU HG2 H 2.333 . . 1144 109 104 GLU HG3 H 2.319 . . 1145 109 104 GLU C C 176.472 . . 1146 109 104 GLU CA C 55.678 . . 1147 109 104 GLU CB C 30.884 . . 1148 109 104 GLU CG C 36.019 . . 1149 109 104 GLU N N 120.191 . . 1150 110 105 GLU H H 9.028 . . 1151 110 105 GLU HA H 4.216 . . 1152 110 105 GLU HB2 H 2.066 . . 1153 110 105 GLU HB3 H 2.217 . . 1154 110 105 GLU HG2 H 2.376 . . 1155 110 105 GLU HG3 H 2.378 . . 1156 110 105 GLU C C 176.381 . . 1157 110 105 GLU CA C 57.136 . . 1158 110 105 GLU CB C 31.273 . . 1159 110 105 GLU CG C 36.462 . . 1160 110 105 GLU N N 116.857 . . 1161 111 106 ILE H H 7.022 . . 1162 111 106 ILE HA H 4.835 . . 1163 111 106 ILE HB H 2.113 . . 1164 111 106 ILE HG12 H 1.072 . . 1165 111 106 ILE HG13 H 1.058 . . 1166 111 106 ILE HG2 H 1.146 . . 1167 111 106 ILE HD1 H 0.821 . . 1168 111 106 ILE C C 176.868 . . 1169 111 106 ILE CA C 59.142 . . 1170 111 106 ILE CB C 43.115 . . 1171 111 106 ILE CG1 C 25.210 . . 1172 111 106 ILE CG2 C 19.540 . . 1173 111 106 ILE CD1 C 14.845 . . 1174 111 106 ILE N N 109.164 . . 1175 112 107 PHE H H 8.605 . . 1176 112 107 PHE HA H 5.112 . . 1177 112 107 PHE HB2 H 2.330 . . 1178 112 107 PHE HB3 H 3.339 . . 1179 112 107 PHE HD2 H 7.242 . . 1180 112 107 PHE HE2 H 7.047 . . 1181 112 107 PHE C C 174.171 . . 1182 112 107 PHE CA C 57.791 . . 1183 112 107 PHE CB C 42.859 . . 1184 112 107 PHE CD2 C 132.000 . . 1185 112 107 PHE CE2 C 128.700 . . 1186 112 107 PHE N N 118.509 . . 1187 113 108 ARG H H 9.352 . . 1188 113 108 ARG HA H 4.772 . . 1189 113 108 ARG HB2 H 1.765 . . 1190 113 108 ARG HB3 H 1.925 . . 1191 113 108 ARG HG2 H 1.623 . . 1192 113 108 ARG HG3 H 1.623 . . 1193 113 108 ARG HD2 H 3.220 . . 1194 113 108 ARG HD3 H 3.222 . . 1195 113 108 ARG C C 176.930 . . 1196 113 108 ARG CA C 55.404 . . 1197 113 108 ARG CB C 33.431 . . 1198 113 108 ARG CG C 27.691 . . 1199 113 108 ARG CD C 43.461 . . 1200 113 108 ARG N N 119.908 . . 1201 114 109 GLY H H 8.467 . . 1202 114 109 GLY HA2 H 4.188 . . 1203 114 109 GLY HA3 H 3.820 . . 1204 114 109 GLY C C 173.738 . . 1205 114 109 GLY CA C 44.451 . . 1206 114 109 GLY N N 109.477 . . 1207 115 110 ASN H H 8.523 . . 1208 115 110 ASN HA H 4.734 . . 1209 115 110 ASN HB2 H 2.641 . . 1210 115 110 ASN HB3 H 2.802 . . 1211 115 110 ASN C C 173.530 . . 1212 115 110 ASN CA C 52.733 . . 1213 115 110 ASN CB C 39.642 . . 1214 115 110 ASN N N 119.193 . . 1215 116 111 ASP H H 8.098 . . 1216 116 111 ASP HA H 5.083 . . 1217 116 111 ASP HB2 H 2.227 . . 1218 116 111 ASP HB3 H 2.613 . . 1219 116 111 ASP C C 174.030 . . 1220 116 111 ASP CA C 54.269 . . 1221 116 111 ASP CB C 43.983 . . 1222 116 111 ASP N N 120.602 . . 1223 117 112 ALA H H 8.979 . . 1224 117 112 ALA HA H 4.716 . . 1225 117 112 ALA HB H 1.369 . . 1226 117 112 ALA C C 175.345 . . 1227 117 112 ALA CA C 50.462 . . 1228 117 112 ALA CB C 23.145 . . 1229 117 112 ALA N N 123.146 . . 1230 118 113 GLU H H 8.829 . . 1231 118 113 GLU HA H 3.895 . . 1232 118 113 GLU HB2 H 2.085 . . 1233 118 113 GLU HB3 H 2.170 . . 1234 118 113 GLU HG2 H 2.257 . . 1235 118 113 GLU HG3 H 2.257 . . 1236 118 113 GLU C C 177.181 . . 1237 118 113 GLU CA C 56.358 . . 1238 118 113 GLU CB C 26.752 . . 1239 118 113 GLU CG C 36.196 . . 1240 118 113 GLU N N 115.917 . . 1241 119 114 CYS H H 8.671 . . 1242 119 114 CYS HA H 5.470 . . 1243 119 114 CYS HB2 H 2.575 . . 1244 119 114 CYS HB3 H 2.943 . . 1245 119 114 CYS C C 174.738 . . 1246 119 114 CYS CA C 56.164 . . 1247 119 114 CYS CB C 44.458 . . 1248 119 114 CYS N N 119.476 . . 1249 120 115 ARG H H 9.238 . . 1250 120 115 ARG HA H 4.925 . . 1251 120 115 ARG HB2 H 1.815 . . 1252 120 115 ARG HB3 H 1.948 . . 1253 120 115 ARG HG2 H 1.606 . . 1254 120 115 ARG HG3 H 1.709 . . 1255 120 115 ARG HD2 H 3.235 . . 1256 120 115 ARG HD3 H 3.235 . . 1257 120 115 ARG C C 172.028 . . 1258 120 115 ARG CA C 53.668 . . 1259 120 115 ARG CB C 31.561 . . 1260 120 115 ARG CG C 26.377 . . 1261 120 115 ARG CD C 43.524 . . 1262 120 115 ARG N N 123.444 . . 1263 121 116 PRO HA H 4.546 . . 1264 121 116 PRO HB2 H 1.784 . . 1265 121 116 PRO HB3 H 2.434 . . 1266 121 116 PRO HG2 H 1.963 . . 1267 121 116 PRO HG3 H 1.963 . . 1268 121 116 PRO HD2 H 3.591 . . 1269 121 116 PRO HD3 H 3.828 . . 1270 121 116 PRO C C 176.138 . . 1271 121 116 PRO CA C 64.020 . . 1272 121 116 PRO CB C 32.162 . . 1273 121 116 PRO CG C 28.046 . . 1274 121 116 PRO CD C 50.372 . . 1275 122 117 PHE H H 8.335 . . 1276 122 117 PHE HA H 4.706 . . 1277 122 117 PHE HB2 H 2.509 . . 1278 122 117 PHE HB3 H 2.632 . . 1279 122 117 PHE HD2 H 6.695 . . 1280 122 117 PHE HE1 H 6.842 . . 1281 122 117 PHE HE2 H 6.982 . . 1282 122 117 PHE HZ H 7.112 . . 1283 122 117 PHE C C 175.032 . . 1284 122 117 PHE CA C 57.408 . . 1285 122 117 PHE CB C 40.377 . . 1286 122 117 PHE CD2 C 131.000 . . 1287 122 117 PHE CE1 C 129.336 . . 1288 122 117 PHE CE2 C 131.400 . . 1289 122 117 PHE CZ C 130.380 . . 1290 122 117 PHE N N 124.392 . . 1291 123 118 THR H H 8.146 . . 1292 123 118 THR HA H 4.140 . . 1293 123 118 THR HB H 4.254 . . 1294 123 118 THR HG2 H 1.028 . . 1295 123 118 THR C C 173.071 . . 1296 123 118 THR CA C 60.948 . . 1297 123 118 THR CB C 69.430 . . 1298 123 118 THR CG2 C 21.046 . . 1299 123 118 THR N N 118.912 . . 1300 124 119 GLY H H 5.733 . . 1301 124 119 GLY HA2 H 3.681 . . 1302 124 119 GLY HA3 H 3.133 . . 1303 124 119 GLY C C 178.119 . . 1304 124 119 GLY CA C 46.121 . . 1305 124 119 GLY N N 114.625 . . stop_ save_