data_27170 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence specific 1H, 13C and 15N resonance assignments of a cataract-related variant G57W of human Gamma S-Crystallin ; _BMRB_accession_number 27170 _BMRB_flat_file_name bmr27170.str _Entry_type original _Submission_date 2017-07-10 _Accession_date 2017-07-10 _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 'Khandekar Bari' Jishan . . 2 Sharma Shrikant . . 3 Chary 'Kandala V.R.' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1019 "13C chemical shifts" 630 "15N chemical shifts" 177 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-11-27 update author 'update assignments' 2018-04-06 update BMRB 'update entry citation' 2017-08-30 update author 'update assignments, etc.' 2017-08-04 original author 'original release' stop_ _Original_release_date 2017-07-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Sequence specific 1H, 13C and 15N resonance assignments of a cataract-related variant G57W of human Gamma S-Crystallin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28936763 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Khandekar Bari' Jishan . . 2 Sharma Shrikant . . 3 Chary 'Kandala V.R.' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 51 _Page_last 55 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Polypeptide chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Polypeptide chain' $G57W_mutant_of_human_Gamma_S-Crystallin 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_G57W_mutant_of_human_Gamma_S-Crystallin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common G57W_mutant_of_human_Gamma_S-Crystallin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 184 _Mol_residue_sequence ; MSKTGTKITFYEDKNFQGRR YDCDCDCADFHTYLSRCNSI KVEGGTWAVYERPNFAWYMY ILPQGEYPEYQRWMGLNDRL SSCRAVHLPSGGQYKIQIFE KGDFSGQMYETTEDCPSIME QFHMREIHSCKVLEGVWIFY ELPNYRGRQYLLDKKEYRKP IDWGAASPAVQSFRRIVE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 LYS 4 4 THR 5 5 GLY 6 6 THR 7 7 LYS 8 8 ILE 9 9 THR 10 10 PHE 11 11 TYR 12 12 GLU 13 13 ASP 14 14 LYS 15 15 ASN 16 16 PHE 17 17 GLN 18 18 GLY 19 19 ARG 20 20 ARG 21 21 TYR 22 22 ASP 23 23 CYS 24 24 ASP 25 25 CYS 26 26 ASP 27 27 CYS 28 28 ALA 29 29 ASP 30 30 PHE 31 31 HIS 32 32 THR 33 33 TYR 34 34 LEU 35 35 SER 36 36 ARG 37 37 CYS 38 38 ASN 39 39 SER 40 40 ILE 41 41 LYS 42 42 VAL 43 43 GLU 44 44 GLY 45 45 GLY 46 46 THR 47 47 TRP 48 48 ALA 49 49 VAL 50 50 TYR 51 51 GLU 52 52 ARG 53 53 PRO 54 54 ASN 55 55 PHE 56 56 ALA 57 57 TRP 58 58 TYR 59 59 MET 60 60 TYR 61 61 ILE 62 62 LEU 63 63 PRO 64 64 GLN 65 65 GLY 66 66 GLU 67 67 TYR 68 68 PRO 69 69 GLU 70 70 TYR 71 71 GLN 72 72 ARG 73 73 TRP 74 74 MET 75 75 GLY 76 76 LEU 77 77 ASN 78 78 ASP 79 79 ARG 80 80 LEU 81 81 SER 82 82 SER 83 83 CYS 84 84 ARG 85 85 ALA 86 86 VAL 87 87 HIS 88 88 LEU 89 89 PRO 90 90 SER 91 91 GLY 92 92 GLY 93 93 GLN 94 94 TYR 95 95 LYS 96 96 ILE 97 97 GLN 98 98 ILE 99 99 PHE 100 100 GLU 101 101 LYS 102 102 GLY 103 103 ASP 104 104 PHE 105 105 SER 106 106 GLY 107 107 GLN 108 108 MET 109 109 TYR 110 110 GLU 111 111 THR 112 112 THR 113 113 GLU 114 114 ASP 115 115 CYS 116 116 PRO 117 117 SER 118 118 ILE 119 119 MET 120 120 GLU 121 121 GLN 122 122 PHE 123 123 HIS 124 124 MET 125 125 ARG 126 126 GLU 127 127 ILE 128 128 HIS 129 129 SER 130 130 CYS 131 131 LYS 132 132 VAL 133 133 LEU 134 134 GLU 135 135 GLY 136 136 VAL 137 137 TRP 138 138 ILE 139 139 PHE 140 140 TYR 141 141 GLU 142 142 LEU 143 143 PRO 144 144 ASN 145 145 TYR 146 146 ARG 147 147 GLY 148 148 ARG 149 149 GLN 150 150 TYR 151 151 LEU 152 152 LEU 153 153 ASP 154 154 LYS 155 155 LYS 156 156 GLU 157 157 TYR 158 158 ARG 159 159 LYS 160 160 PRO 161 161 ILE 162 162 ASP 163 163 TRP 164 164 GLY 165 165 ALA 166 166 ALA 167 167 SER 168 168 PRO 169 169 ALA 170 170 VAL 171 171 GLN 172 172 SER 173 173 PHE 174 174 ARG 175 175 ARG 176 176 ILE 177 177 VAL 178 178 GLU 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 $G57W_mutant_of_human_Gamma_S-Crystallin 'E. coli' 562 Bacteria . Escherichia coli 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 $G57W_mutant_of_human_Gamma_S-Crystallin 'recombinant technology' . Escherichia coli . pET28a 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 $G57W_mutant_of_human_Gamma_S-Crystallin 1.2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Ascend _Field_strength 700 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_15N-1H_HSQC-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-1H HSQC-NOESY' _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' 77 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '3D 15N-1H HSQC-NOESY' 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 'Polypeptide chain' _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 1 1 MET HA H 4.116 0.020 1 2 1 1 MET C C 176.400 0.3 1 3 1 1 MET CA C 52.383 0.3 1 4 1 1 MET CB C 25.817 0.3 1 5 1 1 MET CG C 32.873 0.3 1 6 2 2 SER H H 7.548 0.020 1 7 2 2 SER HA H 4.704 0.020 1 8 2 2 SER HB2 H 3.651 0.020 1 9 2 2 SER HB3 H 3.553 0.020 1 10 2 2 SER C C 175.827 0.3 1 11 2 2 SER CA C 56.005 0.3 1 12 2 2 SER CB C 65.803 0.3 1 13 2 2 SER N N 114.211 0.3 1 14 3 3 LYS H H 8.884 0.020 1 15 3 3 LYS HA H 4.349 0.020 1 16 3 3 LYS HB2 H 1.801 0.020 1 17 3 3 LYS HB3 H 1.777 0.020 1 18 3 3 LYS HG2 H 1.607 0.020 1 19 3 3 LYS HG3 H 1.583 0.020 1 20 3 3 LYS HD2 H 1.692 0.020 1 21 3 3 LYS HE2 H 2.904 0.020 1 22 3 3 LYS C C 177.310 0.3 1 23 3 3 LYS CA C 58.830 0.3 1 24 3 3 LYS CB C 34.997 0.3 1 25 3 3 LYS CG C 25.431 0.3 1 26 3 3 LYS CD C 29.764 0.3 1 27 3 3 LYS CE C 42.954 0.3 1 28 3 3 LYS N N 122.987 0.3 1 29 4 4 THR H H 8.203 0.020 1 30 4 4 THR HA H 4.287 0.020 1 31 4 4 THR HB H 4.196 0.020 1 32 4 4 THR HG2 H 1.128 0.020 1 33 4 4 THR C C 175.490 0.3 1 34 4 4 THR CA C 62.625 0.3 1 35 4 4 THR CB C 70.746 0.3 1 36 4 4 THR CG2 C 22.322 0.3 1 37 4 4 THR N N 114.279 0.3 1 38 5 5 GLY H H 8.286 0.020 1 39 5 5 GLY HA2 H 3.949 0.020 1 40 5 5 GLY HA3 H 3.900 0.020 1 41 5 5 GLY C C 173.771 0.3 1 42 5 5 GLY CA C 45.939 0.3 1 43 5 5 GLY N N 110.967 0.3 1 44 6 6 THR H H 7.966 0.020 1 45 6 6 THR HA H 4.483 0.020 1 46 6 6 THR HB H 4.018 0.020 1 47 6 6 THR HG2 H 0.920 0.020 1 48 6 6 THR C C 173.568 0.3 1 49 6 6 THR CA C 60.856 0.3 1 50 6 6 THR CB C 70.654 0.3 1 51 6 6 THR CG2 C 21.191 0.3 1 52 6 6 THR N N 114.118 0.3 1 53 7 7 LYS H H 8.465 0.020 1 54 7 7 LYS HA H 4.924 0.020 1 55 7 7 LYS HB2 H 1.647 0.020 1 56 7 7 LYS HB3 H 1.616 0.020 1 57 7 7 LYS HG2 H 1.143 0.020 1 58 7 7 LYS HG3 H 1.122 0.020 1 59 7 7 LYS HD2 H 1.545 0.020 1 60 7 7 LYS HD3 H 1.510 0.020 1 61 7 7 LYS HE2 H 2.928 0.020 1 62 7 7 LYS C C 172.557 0.3 1 63 7 7 LYS CA C 57.149 0.3 1 64 7 7 LYS CB C 36.406 0.3 1 65 7 7 LYS CG C 24.960 0.3 1 66 7 7 LYS CD C 31.366 0.3 1 67 7 7 LYS N N 124.876 0.3 1 68 8 8 ILE H H 8.351 0.020 1 69 8 8 ILE HA H 4.495 0.020 1 70 8 8 ILE HB H 1.045 0.020 1 71 8 8 ILE HG12 H 1.177 0.020 1 72 8 8 ILE HG13 H 1.161 0.020 1 73 8 8 ILE C C 171.343 0.3 1 74 8 8 ILE CA C 59.797 0.3 1 75 8 8 ILE CB C 41.879 0.3 1 76 8 8 ILE CG1 C 25.054 0.3 1 77 8 8 ILE CG2 C 16.104 0.3 1 78 8 8 ILE CD1 C 14.597 0.3 1 79 8 8 ILE N N 125.257 0.3 1 80 9 9 THR H H 8.249 0.020 1 81 9 9 THR HA H 4.520 0.020 1 82 9 9 THR HB H 3.418 0.020 1 83 9 9 THR HG2 H 1.043 0.020 1 84 9 9 THR C C 171.984 0.3 1 85 9 9 THR CA C 62.180 0.3 1 86 9 9 THR CB C 71.890 0.3 1 87 9 9 THR CG2 C 22.510 0.3 1 88 9 9 THR N N 121.557 0.3 1 89 10 10 PHE H H 8.613 0.020 1 90 10 10 PHE HA H 4.581 0.020 1 91 10 10 PHE HB2 H 3.075 0.020 1 92 10 10 PHE HB3 H 2.512 0.020 1 93 10 10 PHE HD1 H 6.717 0.020 1 94 10 10 PHE HE1 H 7.061 0.020 1 95 10 10 PHE HZ H 6.980 0.020 1 96 10 10 PHE C C 174.512 0.3 1 97 10 10 PHE CA C 57.237 0.3 1 98 10 10 PHE CB C 42.938 0.3 1 99 10 10 PHE N N 125.100 0.3 1 100 11 11 TYR H H 8.953 0.020 1 101 11 11 TYR HA H 5.377 0.020 1 102 11 11 TYR HB2 H 3.320 0.020 1 103 11 11 TYR HB3 H 3.124 0.020 1 104 11 11 TYR HD1 H 6.666 0.020 1 105 11 11 TYR HE1 H 6.951 0.020 1 106 11 11 TYR C C 178.220 0.3 1 107 11 11 TYR CA C 57.326 0.3 1 108 11 11 TYR CB C 40.290 0.3 1 109 11 11 TYR N N 117.887 0.3 1 110 12 12 GLU H H 9.097 0.020 1 111 12 12 GLU HA H 4.606 0.020 1 112 12 12 GLU HB2 H 2.136 0.020 1 113 12 12 GLU HB3 H 2.041 0.020 1 114 12 12 GLU HG2 H 2.675 0.020 1 115 12 12 GLU HG3 H 2.653 0.020 1 116 12 12 GLU C C 176.939 0.3 1 117 12 12 GLU CA C 59.621 0.3 1 118 12 12 GLU CB C 32.346 0.3 1 119 12 12 GLU CG C 39.091 0.3 1 120 12 12 GLU N N 120.609 0.3 1 121 13 13 ASP H H 7.989 0.020 1 122 13 13 ASP HA H 5.328 0.020 1 123 13 13 ASP HB2 H 2.671 0.020 1 124 13 13 ASP HB3 H 2.243 0.020 1 125 13 13 ASP C C 176.029 0.3 1 126 13 13 ASP CA C 53.177 0.3 1 127 13 13 ASP CB C 44.615 0.3 1 128 13 13 ASP N N 115.168 0.3 1 129 14 14 LYS H H 8.516 0.020 1 130 14 14 LYS HA H 3.785 0.020 1 131 14 14 LYS HB2 H 1.779 0.020 1 132 14 14 LYS HB3 H 1.726 0.020 1 133 14 14 LYS HG2 H 1.755 0.020 1 134 14 14 LYS HG3 H 1.573 0.020 1 135 14 14 LYS HD2 H 1.632 0.020 1 136 14 14 LYS HD3 H 1.600 0.020 1 137 14 14 LYS HE2 H 2.982 0.020 1 138 14 14 LYS C C 177.141 0.3 1 139 14 14 LYS CA C 57.590 0.3 1 140 14 14 LYS CB C 34.641 0.3 1 141 14 14 LYS CG C 23.735 0.3 1 142 14 14 LYS CD C 26.844 0.3 1 143 14 14 LYS N N 117.984 0.3 1 144 15 15 ASN H H 9.199 0.020 1 145 15 15 ASN HA H 3.075 0.020 1 146 15 15 ASN HB2 H 2.745 0.020 1 147 15 15 ASN HB3 H 2.438 0.020 1 148 15 15 ASN HD21 H 7.402 0.020 1 149 15 15 ASN HD22 H 6.693 0.020 1 150 15 15 ASN C C 173.804 0.3 1 151 15 15 ASN CA C 57.590 0.3 1 152 15 15 ASN CB C 37.377 0.3 1 153 15 15 ASN N N 113.050 0.3 1 154 15 15 ASN ND2 N 112.761 0.3 1 155 16 16 PHE H H 7.897 0.020 1 156 16 16 PHE HA H 3.467 0.020 1 157 16 16 PHE HB2 H 2.867 0.020 1 158 16 16 PHE HB3 H 2.745 0.020 1 159 16 16 PHE HD1 H 6.667 0.020 1 160 16 16 PHE HE1 H 6.806 0.020 1 161 16 16 PHE HZ H 6.744 0.020 1 162 16 16 PHE C C 174.917 0.3 1 163 16 16 PHE CA C 56.531 0.3 1 164 16 16 PHE CB C 35.435 0.3 1 165 16 16 PHE N N 112.202 0.3 1 166 17 17 GLN H H 6.181 0.020 1 167 17 17 GLN HA H 4.557 0.020 1 168 17 17 GLN HB2 H 2.250 0.020 1 169 17 17 GLN HB3 H 1.703 0.020 1 170 17 17 GLN HG2 H 2.196 0.020 1 171 17 17 GLN HG3 H 2.165 0.020 1 172 17 17 GLN HE21 H 7.130 0.020 1 173 17 17 GLN HE22 H 6.819 0.020 1 174 17 17 GLN C C 174.714 0.3 1 175 17 17 GLN CA C 54.236 0.3 1 176 17 17 GLN CB C 32.699 0.3 1 177 17 17 GLN CG C 34.569 0.3 1 178 17 17 GLN N N 116.698 0.3 1 179 17 17 GLN NE2 N 112.960 0.3 1 180 18 18 GLY H H 8.279 0.020 1 181 18 18 GLY HA2 H 4.422 0.020 1 182 18 18 GLY HA3 H 3.773 0.020 1 183 18 18 GLY C C 174.748 0.3 1 184 18 18 GLY CA C 44.880 0.3 1 185 18 18 GLY N N 105.201 0.3 1 186 19 19 ARG H H 8.455 0.020 1 187 19 19 ARG HA H 4.544 0.020 1 188 19 19 ARG HB2 H 1.935 0.020 1 189 19 19 ARG HB3 H 1.910 0.020 1 190 19 19 ARG HG2 H 2.014 0.020 1 191 19 19 ARG HG3 H 1.874 0.020 1 192 19 19 ARG HD2 H 3.037 0.020 1 193 19 19 ARG HD3 H 3.015 0.020 1 194 19 19 ARG C C 174.849 0.3 1 195 19 19 ARG CA C 58.826 0.3 1 196 19 19 ARG CB C 31.640 0.3 1 197 19 19 ARG CG C 28.728 0.3 1 198 19 19 ARG CD C 46.063 0.3 1 199 19 19 ARG N N 119.461 0.3 1 200 20 20 ARG H H 8.065 0.020 1 201 20 20 ARG HA H 5.646 0.020 1 202 20 20 ARG HB2 H 1.300 0.020 1 203 20 20 ARG HB3 H 1.165 0.020 1 204 20 20 ARG HG2 H 1.416 0.020 1 205 20 20 ARG HG3 H 1.018 0.020 1 206 20 20 ARG HD2 H 2.916 0.020 1 207 20 20 ARG HD3 H 2.860 0.020 1 208 20 20 ARG C C 175.827 0.3 1 209 20 20 ARG CA C 54.942 0.3 1 210 20 20 ARG CB C 35.259 0.3 1 211 20 20 ARG CG C 26.090 0.3 1 212 20 20 ARG CD C 44.744 0.3 1 213 20 20 ARG N N 119.112 0.3 1 214 21 21 TYR H H 8.873 0.020 1 215 21 21 TYR HA H 4.581 0.020 1 216 21 21 TYR HB2 H 2.732 0.020 1 217 21 21 TYR HB3 H 2.353 0.020 1 218 21 21 TYR HD1 H 6.750 0.020 1 219 21 21 TYR HE1 H 6.941 0.020 1 220 21 21 TYR C C 172.759 0.3 1 221 21 21 TYR CA C 59.003 0.3 1 222 21 21 TYR CB C 43.203 0.3 1 223 21 21 TYR N N 122.931 0.3 1 224 22 22 ASP H H 7.477 0.020 1 225 22 22 ASP HA H 4.912 0.020 1 226 22 22 ASP HB2 H 2.111 0.020 1 227 22 22 ASP HB3 H 2.094 0.020 1 228 22 22 ASP C C 174.175 0.3 1 229 22 22 ASP CA C 53.442 0.3 1 230 22 22 ASP CB C 44.527 0.3 1 231 22 22 ASP N N 126.547 0.3 1 232 23 23 CYS H H 8.653 0.020 1 233 23 23 CYS HA H 4.397 0.020 1 234 23 23 CYS HB2 H 3.014 0.020 1 235 23 23 CYS HB3 H 2.892 0.020 1 236 23 23 CYS C C 174.445 0.3 1 237 23 23 CYS CA C 59.003 0.3 1 238 23 23 CYS CB C 30.669 0.3 1 239 23 23 CYS N N 118.723 0.3 1 240 24 24 ASP H H 8.256 0.020 1 241 24 24 ASP HA H 5.157 0.020 1 242 24 24 ASP HB2 H 3.185 0.020 1 243 24 24 ASP HB3 H 2.438 0.020 1 244 24 24 ASP C C 175.759 0.3 1 245 24 24 ASP CA C 57.061 0.3 1 246 24 24 ASP CB C 41.437 0.3 1 247 24 24 ASP N N 118.818 0.3 1 248 25 25 CYS H H 8.169 0.020 1 249 25 25 CYS HA H 4.863 0.020 1 250 25 25 CYS HB2 H 3.173 0.020 1 251 25 25 CYS HB3 H 3.075 0.020 1 252 25 25 CYS C C 172.085 0.3 1 253 25 25 CYS CA C 56.531 0.3 1 254 25 25 CYS CB C 30.845 0.3 1 255 25 25 CYS N N 115.587 0.3 1 256 26 26 ASP H H 8.084 0.020 1 257 26 26 ASP HA H 4.826 0.020 1 258 26 26 ASP HB2 H 2.826 0.020 1 259 26 26 ASP HB3 H 2.789 0.020 1 260 26 26 ASP C C 176.771 0.3 1 261 26 26 ASP CA C 56.884 0.3 1 262 26 26 ASP CB C 41.084 0.3 1 263 26 26 ASP N N 118.337 0.3 1 264 27 27 CYS H H 9.396 0.020 1 265 27 27 CYS HA H 4.936 0.020 1 266 27 27 CYS HB2 H 3.377 0.020 1 267 27 27 CYS HB3 H 3.351 0.020 1 268 27 27 CYS C C 174.242 0.3 1 269 27 27 CYS CA C 59.444 0.3 1 270 27 27 CYS CB C 30.404 0.3 1 271 27 27 CYS N N 122.921 0.3 1 272 28 28 ALA H H 9.136 0.020 1 273 28 28 ALA HA H 3.467 0.020 1 274 28 28 ALA HB H 1.312 0.020 1 275 28 28 ALA C C 176.400 0.3 1 276 28 28 ALA CA C 55.119 0.3 1 277 28 28 ALA CB C 18.539 0.3 1 278 28 28 ALA N N 130.758 0.3 1 279 29 29 ASP H H 7.522 0.020 1 280 29 29 ASP HA H 4.948 0.020 1 281 29 29 ASP HB2 H 2.855 0.020 1 282 29 29 ASP HB3 H 2.524 0.020 1 283 29 29 ASP C C 177.681 0.3 1 284 29 29 ASP CA C 55.472 0.3 1 285 29 29 ASP CB C 41.526 0.3 1 286 29 29 ASP N N 113.264 0.3 1 287 30 30 PHE H H 8.685 0.020 1 288 30 30 PHE HA H 4.973 0.020 1 289 30 30 PHE HB2 H 2.867 0.020 1 290 30 30 PHE HB3 H 2.659 0.020 1 291 30 30 PHE HD1 H 6.797 0.020 1 292 30 30 PHE HE1 H 6.947 0.020 1 293 30 30 PHE HZ H 6.870 0.020 1 294 30 30 PHE C C 177.681 0.3 1 295 30 30 PHE CA C 54.501 0.3 1 296 30 30 PHE CB C 34.729 0.3 1 297 30 30 PHE N N 123.074 0.3 1 298 31 31 HIS H H 8.674 0.020 1 299 31 31 HIS HA H 4.667 0.020 1 300 31 31 HIS HB2 H 3.369 0.020 1 301 31 31 HIS HB3 H 2.965 0.020 1 302 31 31 HIS HD2 H 6.885 0.020 1 303 31 31 HIS HE1 H 8.674 0.020 1 304 31 31 HIS C C 175.658 0.3 1 305 31 31 HIS CA C 59.797 0.3 1 306 31 31 HIS CB C 28.285 0.3 1 307 31 31 HIS N N 122.979 0.3 1 308 32 32 THR H H 7.468 0.020 1 309 32 32 THR HA H 3.579 0.020 1 310 32 32 THR HB H 3.564 0.020 1 311 32 32 THR HG2 H 0.859 0.020 1 312 32 32 THR C C 174.816 0.3 1 313 32 32 THR CA C 64.122 0.3 1 314 32 32 THR CB C 68.889 0.3 1 315 32 32 THR CG2 C 21.662 0.3 1 316 32 32 THR N N 109.933 0.3 1 317 33 33 TYR H H 7.216 0.020 1 318 33 33 TYR HA H 4.336 0.020 1 319 33 33 TYR HB2 H 2.989 0.020 1 320 33 33 TYR HB3 H 2.169 0.020 1 321 33 33 TYR HD1 H 6.700 0.020 1 322 33 33 TYR HE1 H 7.190 0.020 1 323 33 33 TYR C C 175.220 0.3 1 324 33 33 TYR CA C 59.091 0.3 1 325 33 33 TYR CB C 40.202 0.3 1 326 33 33 TYR N N 119.613 0.3 1 327 34 34 LEU H H 7.276 0.020 1 328 34 34 LEU HA H 4.520 0.020 1 329 34 34 LEU HB2 H 1.790 0.020 1 330 34 34 LEU HB3 H 1.202 0.020 1 331 34 34 LEU HG H 1.820 0.020 1 332 34 34 LEU HD1 H 0.798 0.020 1 333 34 34 LEU HD2 H 0.712 0.020 1 334 34 34 LEU C C 175.995 0.3 1 335 34 34 LEU CA C 55.652 0.3 1 336 34 34 LEU CB C 46.031 0.3 1 337 34 34 LEU CG C 27.815 0.3 1 338 34 34 LEU CD1 C 27.914 0.3 1 339 34 34 LEU CD2 C 26.823 0.3 1 340 34 34 LEU N N 118.862 0.3 1 341 35 35 SER H H 9.380 0.020 1 342 35 35 SER HA H 4.367 0.020 1 343 35 35 SER HB2 H 3.856 0.020 1 344 35 35 SER HB3 H 3.839 0.020 1 345 35 35 SER C C 173.602 0.3 1 346 35 35 SER CA C 60.768 0.3 1 347 35 35 SER CB C 65.093 0.3 1 348 35 35 SER N N 120.588 0.3 1 349 36 36 ARG H H 7.830 0.020 1 350 36 36 ARG HA H 4.740 0.020 1 351 36 36 ARG HB2 H 1.998 0.020 1 352 36 36 ARG HB3 H 1.729 0.020 1 353 36 36 ARG HG2 H 1.744 0.020 1 354 36 36 ARG HG3 H 1.671 0.020 1 355 36 36 ARG HD2 H 3.100 0.020 1 356 36 36 ARG HD3 H 3.038 0.020 1 357 36 36 ARG C C 173.265 0.3 1 358 36 36 ARG CA C 55.472 0.3 1 359 36 36 ARG CB C 31.816 0.3 1 360 36 36 ARG CG C 26.090 0.3 1 361 36 36 ARG CD C 44.273 0.3 1 362 36 36 ARG N N 117.493 0.3 1 363 37 37 CYS H H 9.711 0.020 1 364 37 37 CYS HA H 5.255 0.020 1 365 37 37 CYS HB2 H 2.940 0.020 1 366 37 37 CYS HB3 H 2.855 0.020 1 367 37 37 CYS C C 171.343 0.3 1 368 37 37 CYS CA C 59.179 0.3 1 369 37 37 CYS CB C 29.345 0.3 1 370 37 37 CYS N N 117.811 0.3 1 371 38 38 ASN H H 8.233 0.020 1 372 38 38 ASN HA H 5.218 0.020 1 373 38 38 ASN HB2 H 2.683 0.020 1 374 38 38 ASN HB3 H 2.255 0.020 1 375 38 38 ASN HD21 H 8.557 0.020 1 376 38 38 ASN HD22 H 8.075 0.020 1 377 38 38 ASN C C 174.007 0.3 1 378 38 38 ASN CA C 58.915 0.3 1 379 38 38 ASN CB C 39.142 0.3 1 380 38 38 ASN N N 121.379 0.3 1 381 38 38 ASN ND2 N 116.350 0.3 1 382 39 39 SER H H 8.312 0.020 1 383 39 39 SER HA H 4.924 0.020 1 384 39 39 SER HB2 H 4.238 0.020 1 385 39 39 SER HB3 H 3.785 0.020 1 386 39 39 SER C C 173.130 0.3 1 387 39 39 SER CA C 60.768 0.3 1 388 39 39 SER CB C 65.446 0.3 1 389 39 39 SER N N 108.644 0.3 1 390 40 40 ILE H H 8.990 0.020 1 391 40 40 ILE HA H 5.328 0.020 1 392 40 40 ILE HB H 1.373 0.020 1 393 40 40 ILE HG12 H 1.263 0.020 1 394 40 40 ILE HG13 H 1.190 0.020 1 395 40 40 ILE HG2 H 1.062 0.020 1 396 40 40 ILE HD1 H 0.730 0.020 1 397 40 40 ILE C C 176.265 0.3 1 398 40 40 ILE CA C 61.209 0.3 1 399 40 40 ILE CB C 46.027 0.3 1 400 40 40 ILE CG1 C 31.083 0.3 1 401 40 40 ILE CG2 C 19.059 0.3 1 402 40 40 ILE CD1 C 13.448 0.3 1 403 40 40 ILE N N 118.879 0.3 1 404 41 41 LYS H H 8.946 0.020 1 405 41 41 LYS HA H 4.948 0.020 1 406 41 41 LYS HB2 H 1.720 0.020 1 407 41 41 LYS HB3 H 1.663 0.020 1 408 41 41 LYS HG2 H 1.553 0.020 1 409 41 41 LYS HG3 H 1.542 0.020 1 410 41 41 LYS HD2 H 1.598 0.020 1 411 41 41 LYS HD3 H 1.570 0.020 1 412 41 41 LYS HE2 H 3.124 0.020 1 413 41 41 LYS HE3 H 3.036 0.020 1 414 41 41 LYS C C 174.917 0.3 1 415 41 41 LYS CA C 57.414 0.3 1 416 41 41 LYS CB C 36.583 0.3 1 417 41 41 LYS CG C 24.677 0.3 1 418 41 41 LYS CD C 27.974 0.3 1 419 41 41 LYS N N 125.028 0.3 1 420 42 42 VAL H H 9.226 0.020 1 421 42 42 VAL HA H 3.651 0.020 1 422 42 42 VAL HB H 2.487 0.020 1 423 42 42 VAL HG1 H 1.447 0.020 1 424 42 42 VAL HG2 H 0.626 0.020 1 425 42 42 VAL C C 174.782 0.3 1 426 42 42 VAL CA C 63.063 0.3 1 427 42 42 VAL CB C 33.758 0.3 1 428 42 42 VAL CG1 C 22.275 0.3 1 429 42 42 VAL CG2 C 22.039 0.3 1 430 42 42 VAL N N 125.774 0.3 1 431 43 43 GLU H H 8.340 0.020 1 432 43 43 GLU HA H 4.397 0.020 1 433 43 43 GLU HB2 H 1.805 0.020 1 434 43 43 GLU HB3 H 1.777 0.020 1 435 43 43 GLU HG2 H 1.965 0.020 1 436 43 43 GLU HG3 H 1.944 0.020 1 437 43 43 GLU C C 177.344 0.3 1 438 43 43 GLU CA C 56.002 0.3 1 439 43 43 GLU CB C 30.934 0.3 1 440 43 43 GLU CG C 37.031 0.3 1 441 43 43 GLU N N 127.279 0.3 1 442 44 44 GLY H H 8.310 0.020 1 443 44 44 GLY HA2 H 4.140 0.020 1 444 44 44 GLY HA3 H 3.969 0.020 1 445 44 44 GLY C C 173.197 0.3 1 446 44 44 GLY CA C 47.351 0.3 1 447 44 44 GLY N N 108.062 0.3 1 448 45 45 GLY H H 7.961 0.020 1 449 45 45 GLY HA2 H 3.981 0.020 1 450 45 45 GLY HA3 H 3.736 0.020 1 451 45 45 GLY C C 170.400 0.3 1 452 45 45 GLY CA C 45.321 0.3 1 453 45 45 GLY N N 110.720 0.3 1 454 46 46 THR H H 7.904 0.020 1 455 46 46 THR HA H 4.483 0.020 1 456 46 46 THR HB H 3.565 0.020 1 457 46 46 THR HG2 H 0.798 0.020 1 458 46 46 THR C C 173.703 0.3 1 459 46 46 THR CA C 63.151 0.3 1 460 46 46 THR CB C 71.095 0.3 1 461 46 46 THR CG2 C 22.416 0.3 1 462 46 46 THR N N 113.472 0.3 1 463 47 47 TRP H H 8.425 0.020 1 464 47 47 TRP HA H 4.814 0.020 1 465 47 47 TRP HB2 H 2.855 0.020 1 466 47 47 TRP HB3 H 2.561 0.020 1 467 47 47 TRP HD1 H 6.867 0.020 1 468 47 47 TRP HE1 H 9.348 0.020 1 469 47 47 TRP HE3 H 6.834 0.020 1 470 47 47 TRP HZ2 H 6.800 0.020 1 471 47 47 TRP HZ3 H 6.756 0.020 1 472 47 47 TRP HH2 H 6.712 0.020 1 473 47 47 TRP C C 173.602 0.3 1 474 47 47 TRP CA C 56.973 0.3 1 475 47 47 TRP CB C 33.228 0.3 1 476 47 47 TRP N N 126.532 0.3 1 477 47 47 TRP NE1 N 127.228 0.3 1 478 48 48 ALA H H 9.450 0.020 1 479 48 48 ALA HA H 5.132 0.020 1 480 48 48 ALA HB H 1.030 0.020 1 481 48 48 ALA C C 176.602 0.3 1 482 48 48 ALA CA C 51.059 0.3 1 483 48 48 ALA CB C 20.658 0.3 1 484 48 48 ALA N N 124.783 0.3 1 485 49 49 VAL H H 8.915 0.020 1 486 49 49 VAL HA H 5.340 0.020 1 487 49 49 VAL HB H 2.255 0.020 1 488 49 49 VAL HG1 H 0.994 0.020 1 489 49 49 VAL HG2 H 0.749 0.020 1 490 49 49 VAL C C 173.905 0.3 1 491 49 49 VAL CA C 59.709 0.3 1 492 49 49 VAL CB C 34.641 0.3 1 493 49 49 VAL CG1 C 23.170 0.3 1 494 49 49 VAL CG2 C 22.039 0.3 1 495 49 49 VAL N N 116.973 0.3 1 496 50 50 TYR H H 8.732 0.020 1 497 50 50 TYR HA H 5.671 0.020 1 498 50 50 TYR HB2 H 3.33 0.020 1 499 50 50 TYR HB3 H 3.21 0.020 1 500 50 50 TYR HD1 H 6.766 0.020 1 501 50 50 TYR HE1 H 7.016 0.020 1 502 50 50 TYR C C 177.748 0.3 1 503 50 50 TYR CA C 57.149 0.3 1 504 50 50 TYR CB C 41.084 0.3 1 505 50 50 TYR N N 119.287 0.3 1 506 51 51 GLU H H 9.532 0.020 1 507 51 51 GLU HA H 4.74 0.020 1 508 51 51 GLU HB2 H 2.637 0.020 1 509 51 51 GLU HB3 H 2.47 0.020 1 510 51 51 GLU HG2 H 2.683 0.020 1 511 51 51 GLU HG3 H 2.022 0.020 1 512 51 51 GLU C C 176.905 0.3 1 513 51 51 GLU CA C 60.327 0.3 1 514 51 51 GLU CB C 32.434 0.3 1 515 51 51 GLU CG C 39.091 0.3 1 516 51 51 GLU N N 121.983 0.3 1 517 52 52 ARG H H 7.994 0.020 1 518 52 52 ARG HA H 4.501 0.020 1 519 52 52 ARG HB2 H 1.83 0.020 1 520 52 52 ARG HB3 H 1.23 0.020 1 521 52 52 ARG HG2 H 1.751 0.020 1 522 52 52 ARG HG3 H 1.699 0.020 1 523 52 52 ARG HD2 H 3.290 0.020 1 524 52 52 ARG HD3 H 3.107 0.020 1 525 52 52 ARG CA C 53.177 0.3 1 526 52 52 ARG CB C 32.875 0.3 1 527 52 52 ARG N N 115.044 0.3 1 528 53 53 PRO HA H 3.871 0.020 1 529 53 53 PRO HB2 H 2.132 0.020 1 530 53 53 PRO HB3 H 1.545 0.020 1 531 53 53 PRO HG2 H 1.592 0.020 1 532 53 53 PRO HG3 H 1.572 0.020 1 533 53 53 PRO HD2 H 3.264 0.020 1 534 53 53 PRO HD3 H 3.241 0.020 1 535 53 53 PRO C C 175.287 0.3 1 536 53 53 PRO CA C 63.204 0.3 1 537 53 53 PRO CB C 33.405 0.3 1 538 53 53 PRO CG C 27.221 0.3 1 539 53 53 PRO CD C 53.034 0.3 1 540 54 54 ASN H H 9.877 0.020 1 541 54 54 ASN HA H 3.22 0.020 1 542 54 54 ASN HB2 H 2.69 0.020 1 543 54 54 ASN HB3 H 2.63 0.020 1 544 54 54 ASN HD21 H 7.293 0.020 1 545 54 54 ASN HD22 H 6.703 0.020 1 546 54 54 ASN C C 177.141 0.3 1 547 54 54 ASN CA C 54.678 0.3 1 548 54 54 ASN CB C 36.936 0.3 1 549 54 54 ASN N N 113.419 0.3 1 550 54 54 ASN ND2 N 113.376 0.3 1 551 55 55 PHE H H 7.155 0.020 1 552 55 55 PHE HA H 3.02 0.020 1 553 55 55 PHE HB2 H 1.78 0.020 1 554 55 55 PHE HB3 H 1.82 0.020 1 555 55 55 PHE HD1 H 6.816 0.020 1 556 55 55 PHE C C 174.580 0.3 1 557 55 55 PHE CA C 55.71 0.3 1 558 55 55 PHE CB C 35.01 0.3 1 559 55 55 PHE N N 112.139 0.3 1 560 56 56 ALA H H 6.209 0.020 1 561 56 56 ALA HA H 4.777 0.020 1 562 56 56 ALA HB H 1.251 0.020 1 563 56 56 ALA C C 175.692 0.3 1 564 56 56 ALA CA C 51.235 0.3 1 565 56 56 ALA CB C 23.607 0.3 1 566 56 56 ALA N N 120.960 0.3 1 567 57 57 TRP H H 8.774 0.020 1 568 57 57 TRP HA H 4.373 0.020 1 569 57 57 TRP HB2 H 2.940 0.020 1 570 57 57 TRP HD1 H 7.184 0.020 1 571 57 57 TRP HE1 H 9.590 0.020 1 572 57 57 TRP HE3 H 7.106 0.020 1 573 57 57 TRP HZ2 H 7.066 0.020 1 574 57 57 TRP HZ3 H 7.006 0.020 1 575 57 57 TRP HH2 H 6.897 0.020 1 576 57 57 TRP C C 171.310 0.3 1 577 57 57 TRP CA C 57.326 0.3 1 578 57 57 TRP CB C 31.463 0.3 1 579 57 57 TRP N N 117.459 0.3 1 580 57 57 TRP NE1 N 130.219 0.3 1 581 58 58 TYR H H 8.237 0.020 1 582 58 58 TYR HA H 4.22 0.020 1 583 58 58 TYR HB2 H 3.002 0.020 1 584 58 58 TYR HD1 H 6.795 0.020 1 585 58 58 TYR HE1 H 6.864 0.020 1 586 58 58 TYR C C 177.478 0.3 1 587 58 58 TYR CA C 59.356 0.3 1 588 58 58 TYR CB C 39.319 0.3 1 589 58 58 TYR N N 121.681 0.3 1 590 59 59 MET H H 9.063 0.020 1 591 59 59 MET HA H 4.434 0.020 1 592 59 59 MET HB2 H 1.496 0.020 1 593 59 59 MET HB3 H 1.373 0.020 1 594 59 59 MET HG2 H 2.487 0.020 1 595 59 59 MET HG3 H 2.267 0.020 1 596 59 59 MET C C 175.490 0.3 1 597 59 59 MET CA C 57.590 0.3 1 598 59 59 MET CB C 34.199 0.3 1 599 59 59 MET N N 122.014 0.3 1 600 60 60 TYR H H 8.695 0.020 1 601 60 60 TYR HA H 4.532 0.020 1 602 60 60 TYR HB2 H 3.100 0.020 1 603 60 60 TYR HB3 H 2.255 0.020 1 604 60 60 TYR HD1 H 7.000 0.020 1 605 60 60 TYR HE1 H 7.095 0.020 1 606 60 60 TYR C C 174.950 0.3 1 607 60 60 TYR CA C 56.708 0.3 1 608 60 60 TYR CB C 41.790 0.3 1 609 60 60 TYR N N 116.914 0.3 1 610 61 61 ILE H H 8.103 0.020 1 611 61 61 ILE HA H 4.850 0.020 1 612 61 61 ILE HB H 1.912 0.020 1 613 61 61 ILE HG12 H 1.405 0.020 1 614 61 61 ILE HG13 H 1.375 0.020 1 615 61 61 ILE HG2 H 0.647 0.020 1 616 61 61 ILE HD1 H 0.706 0.020 1 617 61 61 ILE C C 176.029 0.3 1 618 61 61 ILE CA C 59.532 0.3 1 619 61 61 ILE CB C 37.024 0.3 1 620 61 61 ILE CG1 C 27.974 0.3 1 621 61 61 ILE CG2 C 18.648 0.3 1 622 61 61 ILE CD1 C 16.481 0.3 1 623 61 61 ILE N N 122.546 0.3 1 624 62 62 LEU H H 9.566 0.020 1 625 62 62 LEU HA H 4.927 0.020 1 626 62 62 LEU HB2 H 1.403 0.020 1 627 62 62 LEU HB3 H 1.354 0.020 1 628 62 62 LEU HG H 1.107 0.020 1 629 62 62 LEU HD1 H 0.761 0.020 1 630 62 62 LEU HD2 H 0.590 0.020 1 631 62 62 LEU CA C 53.618 0.3 1 632 62 62 LEU CB C 45.145 0.3 1 633 62 62 LEU N N 131.506 0.3 1 634 63 63 PRO HA H 4.936 0.020 1 635 63 63 PRO HB2 H 2.376 0.020 1 636 63 63 PRO HB3 H 2.343 0.020 1 637 63 63 PRO HG2 H 1.985 0.020 1 638 63 63 PRO HG3 H 1.967 0.020 1 639 63 63 PRO HD2 H 3.675 0.020 1 640 63 63 PRO HD3 H 3.663 0.020 1 641 63 63 PRO C C 176.703 0.3 1 642 63 63 PRO CA C 62.004 0.3 1 643 63 63 PRO CB C 34.199 0.3 1 644 63 63 PRO CG C 27.880 0.3 1 645 63 63 PRO CD C 56.991 0.3 1 646 64 64 GLN H H 8.326 0.020 1 647 64 64 GLN HA H 3.920 0.020 1 648 64 64 GLN HB2 H 1.926 0.020 1 649 64 64 GLN HB3 H 1.873 0.020 1 650 64 64 GLN HG2 H 2.036 0.020 1 651 64 64 GLN HG3 H 2.005 0.020 1 652 64 64 GLN HE21 H 7.438 0.020 1 653 64 64 GLN HE22 H 6.780 0.020 1 654 64 64 GLN C C 175.523 0.3 1 655 64 64 GLN CA C 58.208 0.3 1 656 64 64 GLN CB C 29.963 0.3 1 657 64 64 GLN CG C 34.475 0.3 1 658 64 64 GLN N N 120.608 0.3 1 659 64 64 GLN NE2 N 111.924 0.3 1 660 65 65 GLY H H 8.554 0.020 1 661 65 65 GLY HA2 H 4.177 0.020 1 662 65 65 GLY HA3 H 3.798 0.020 1 663 65 65 GLY C C 171.209 0.3 1 664 65 65 GLY CA C 45.321 0.3 1 665 65 65 GLY N N 111.606 0.3 1 666 66 66 GLU H H 8.203 0.020 1 667 66 66 GLU HA H 4.740 0.020 1 668 66 66 GLU HB2 H 1.913 0.020 1 669 66 66 GLU HB3 H 1.883 0.020 1 670 66 66 GLU HG2 H 2.078 0.020 1 671 66 66 GLU HG3 H 1.958 0.020 1 672 66 66 GLU C C 175.995 0.3 1 673 66 66 GLU CA C 56.443 0.3 1 674 66 66 GLU CB C 32.699 0.3 1 675 66 66 GLU CG C 38.997 0.3 1 676 66 66 GLU N N 117.265 0.3 1 677 67 67 TYR H H 9.172 0.020 1 678 67 67 TYR HA H 5.012 0.020 1 679 67 67 TYR HB2 H 3.817 0.020 1 680 67 67 TYR HB3 H 3.238 0.020 1 681 67 67 TYR HD1 H 6.953 0.020 1 682 67 67 TYR HE1 H 7.176 0.020 1 683 67 67 TYR CA C 55.913 0.3 1 684 67 67 TYR CB C 40.820 0.3 1 685 67 67 TYR N N 118.740 0.3 1 686 68 68 PRO HA H 3.631 0.020 1 687 68 68 PRO HB2 H 2.212 0.020 1 688 68 68 PRO HB3 H 2.052 0.020 1 689 68 68 PRO HG2 H 2.266 0.020 1 690 68 68 PRO HG3 H 2.023 0.020 1 691 68 68 PRO HD2 H 3.610 0.020 1 692 68 68 PRO HD3 H 3.569 0.020 1 693 68 68 PRO C C 173.669 0.3 1 694 68 68 PRO CA C 65.803 0.3 1 695 68 68 PRO CB C 32.879 0.3 1 696 68 68 PRO CG C 29.576 0.3 1 697 68 68 PRO CD C 54.353 0.3 1 698 69 69 GLU H H 6.832 0.020 1 699 69 69 GLU HA H 5.267 0.020 1 700 69 69 GLU HB2 H 2.089 0.020 1 701 69 69 GLU HB3 H 1.662 0.020 1 702 69 69 GLU HG2 H 1.962 0.020 1 703 69 69 GLU HG3 H 1.940 0.020 1 704 69 69 GLU C C 177.748 0.3 1 705 69 69 GLU CA C 55.387 0.3 1 706 69 69 GLU CB C 33.497 0.3 1 707 69 69 GLU CG C 33.721 0.3 1 708 69 69 GLU N N 112.449 0.3 1 709 70 70 TYR H H 8.223 0.020 1 710 70 70 TYR HA H 4.802 0.020 1 711 70 70 TYR HB2 H 2.561 0.020 1 712 70 70 TYR HB3 H 2.475 0.020 1 713 70 70 TYR HD1 H 6.795 0.020 1 714 70 70 TYR HE1 H 7.198 0.020 1 715 70 70 TYR C C 175.860 0.3 1 716 70 70 TYR CA C 59.183 0.3 1 717 70 70 TYR CB C 39.234 0.3 1 718 70 70 TYR N N 121.560 0.3 1 719 71 71 GLN H H 8.077 0.020 1 720 71 71 GLN HA H 3.700 0.020 1 721 71 71 GLN HB2 H 1.651 0.020 1 722 71 71 GLN HB3 H 1.614 0.020 1 723 71 71 GLN HG2 H 1.773 0.020 1 724 71 71 GLN HG3 H 1.742 0.020 1 725 71 71 GLN HE21 H 7.074 0.020 1 726 71 71 GLN HE22 H 6.149 0.020 1 727 71 71 GLN C C 180.175 0.3 1 728 71 71 GLN CA C 62.184 0.3 1 729 71 71 GLN CB C 31.113 0.3 1 730 71 71 GLN CG C 34.946 0.3 1 731 71 71 GLN N N 119.566 0.3 1 732 71 71 GLN NE2 N 109.337 0.3 1 733 72 72 ARG H H 7.932 0.020 1 734 72 72 ARG HA H 4.116 0.020 1 735 72 72 ARG HB2 H 2.447 0.020 1 736 72 72 ARG HB3 H 2.417 0.020 1 737 72 72 ARG HG2 H 1.744 0.020 1 738 72 72 ARG HG3 H 1.670 0.020 1 739 72 72 ARG HD2 H 3.173 0.020 1 740 72 72 ARG HD3 H 3.076 0.020 1 741 72 72 ARG HE H 7.715 0.020 1 742 72 72 ARG C C 174.040 0.3 1 743 72 72 ARG CA C 56.973 0.3 1 744 72 72 ARG CB C 30.051 0.3 1 745 72 72 ARG CG C 28.634 0.3 1 746 72 72 ARG CD C 44.084 0.3 1 747 72 72 ARG N N 117.294 0.3 1 748 73 73 TRP H H 8.071 0.020 1 749 73 73 TRP HA H 5.169 0.020 1 750 73 73 TRP HB2 H 3.381 0.020 1 751 73 73 TRP HB3 H 2.463 0.020 1 752 73 73 TRP HD1 H 7.113 0.020 1 753 73 73 TRP HE1 H 10.050 0.020 1 754 73 73 TRP HE3 H 6.987 0.020 1 755 73 73 TRP HZ2 H 6.841 0.020 1 756 73 73 TRP HZ3 H 6.764 0.020 1 757 73 73 TRP HH2 H 6.606 0.020 1 758 73 73 TRP C C 175.816 0.3 1 759 73 73 TRP CA C 57.064 0.3 1 760 73 73 TRP CB C 31.378 0.3 1 761 73 73 TRP N N 118.244 0.3 1 762 73 73 TRP NE1 N 130.459 0.3 1 763 74 74 MET H H 7.558 0.020 1 764 74 74 MET HA H 3.957 0.020 1 765 74 74 MET HB2 H 2.720 0.020 1 766 74 74 MET HB3 H 2.341 0.020 1 767 74 74 MET HG2 H 2.692 0.020 1 768 74 74 MET HG3 H 2.669 0.020 1 769 74 74 MET C C 176.029 0.3 1 770 74 74 MET CA C 57.414 0.3 1 771 74 74 MET CB C 29.963 0.3 1 772 74 74 MET CG C 33.344 0.3 1 773 74 74 MET N N 113.027 0.3 1 774 75 75 GLY H H 7.376 0.020 1 775 75 75 GLY HA2 H 3.528 0.020 1 776 75 75 GLY HA3 H 2.855 0.020 1 777 75 75 GLY C C 174.209 0.3 1 778 75 75 GLY CA C 46.469 0.3 1 779 75 75 GLY N N 105.244 0.3 1 780 76 76 LEU H H 7.312 0.020 1 781 76 76 LEU HA H 4.287 0.020 1 782 76 76 LEU HB2 H 1.498 0.020 1 783 76 76 LEU HB3 H 1.470 0.020 1 784 76 76 LEU HG H 1.721 0.020 1 785 76 76 LEU HD1 H 0.798 0.020 1 786 76 76 LEU HD2 H 0.639 0.020 1 787 76 76 LEU C C 177.209 0.3 1 788 76 76 LEU CA C 56.002 0.3 1 789 76 76 LEU CB C 44.174 0.3 1 790 76 76 LEU CG C 28.163 0.3 1 791 76 76 LEU CD1 C 25.431 0.3 1 792 76 76 LEU CD2 C 23.829 0.3 1 793 76 76 LEU N N 119.304 0.3 1 794 77 77 ASN H H 7.146 0.020 1 795 77 77 ASN HA H 4.104 0.020 1 796 77 77 ASN HB2 H 3.553 0.020 1 797 77 77 ASN HB3 H 3.479 0.020 1 798 77 77 ASN HD21 H 7.753 0.020 1 799 77 77 ASN HD22 H 7.391 0.020 1 800 77 77 ASN C C 175.220 0.3 1 801 77 77 ASN CA C 52.206 0.3 1 802 77 77 ASN CB C 38.878 0.3 1 803 77 77 ASN N N 112.096 0.3 1 804 77 77 ASN ND2 N 115.060 0.3 1 805 78 78 ASP H H 7.526 0.020 1 806 78 78 ASP HA H 4.664 0.020 1 807 78 78 ASP HB2 H 2.152 0.020 1 808 78 78 ASP HB3 H 2.100 0.020 1 809 78 78 ASP C C 173.501 0.3 1 810 78 78 ASP CA C 55.296 0.3 1 811 78 78 ASP CB C 41.349 0.3 1 812 78 78 ASP N N 113.410 0.3 1 813 79 79 ARG H H 7.987 0.020 1 814 79 79 ARG HA H 4.642 0.020 1 815 79 79 ARG HB2 H 1.839 0.020 1 816 79 79 ARG HB3 H 1.753 0.020 1 817 79 79 ARG HG2 H 1.679 0.020 1 818 79 79 ARG HG3 H 1.618 0.020 1 819 79 79 ARG HD2 H 3.332 0.020 1 820 79 79 ARG HD3 H 3.259 0.020 1 821 79 79 ARG C C 175.051 0.3 1 822 79 79 ARG CA C 57.417 0.3 1 823 79 79 ARG CB C 29.966 0.3 1 824 79 79 ARG CG C 27.692 0.3 1 825 79 79 ARG CD C 44.367 0.3 1 826 79 79 ARG N N 117.168 0.3 1 827 80 80 LEU H H 6.947 0.020 1 828 80 80 LEU HA H 4.899 0.020 1 829 80 80 LEU HB2 H 1.532 0.020 1 830 80 80 LEU HB3 H 1.300 0.020 1 831 80 80 LEU HG H 1.728 0.020 1 832 80 80 LEU HD1 H 1.055 0.020 1 833 80 80 LEU HD2 H 0.822 0.020 1 834 80 80 LEU C C 176.400 0.3 1 835 80 80 LEU CA C 55.564 0.3 1 836 80 80 LEU CB C 48.767 0.3 1 837 80 80 LEU CG C 27.786 0.3 1 838 80 80 LEU CD1 C 28.351 0.3 1 839 80 80 LEU CD2 C 24.992 0.3 1 840 80 80 LEU N N 121.165 0.3 1 841 81 81 SER H H 8.381 0.020 1 842 81 81 SER HA H 3.357 0.020 1 843 81 81 SER HB2 H 3.283 0.020 1 844 81 81 SER HB3 H 2.904 0.020 1 845 81 81 SER C C 171.377 0.3 1 846 81 81 SER CA C 58.830 0.3 1 847 81 81 SER CB C 67.392 0.3 1 848 81 81 SER N N 108.569 0.3 1 849 82 82 SER H H 7.510 0.020 1 850 82 82 SER HA H 4.544 0.020 1 851 82 82 SER HB2 H 4.030 0.020 1 852 82 82 SER HB3 H 3.871 0.020 1 853 82 82 SER C C 174.242 0.3 1 854 82 82 SER CA C 59.444 0.3 1 855 82 82 SER CB C 66.859 0.3 1 856 82 82 SER N N 109.380 0.3 1 857 83 83 CYS H H 9.624 0.020 1 858 83 83 CYS HA H 6.442 0.020 1 859 83 83 CYS HB2 H 3.553 0.020 1 860 83 83 CYS HB3 H 3.406 0.020 1 861 83 83 CYS C C 172.153 0.3 1 862 83 83 CYS CA C 57.149 0.3 1 863 83 83 CYS CB C 33.582 0.3 1 864 83 83 CYS N N 112.988 0.3 1 865 84 84 ARG H H 9.999 0.020 1 866 84 84 ARG HA H 4.887 0.020 1 867 84 84 ARG HB2 H 1.600 0.020 1 868 84 84 ARG HB3 H 1.542 0.020 1 869 84 84 ARG HG2 H 1.496 0.020 1 870 84 84 ARG HG3 H 1.477 0.020 1 871 84 84 ARG HD2 H 3.122 0.020 1 872 84 84 ARG HD3 H 2.833 0.020 1 873 84 84 ARG C C 173.535 0.3 1 874 84 84 ARG CA C 55.649 0.3 1 875 84 84 ARG CB C 34.906 0.3 1 876 84 84 ARG CG C 26.467 0.3 1 877 84 84 ARG CD C 45.215 0.3 1 878 84 84 ARG N N 119.421 0.3 1 879 85 85 ALA H H 8.148 0.020 1 880 85 85 ALA HA H 3.075 0.020 1 881 85 85 ALA HB H 1.202 0.020 1 882 85 85 ALA C C 177.108 0.3 1 883 85 85 ALA CA C 52.206 0.3 1 884 85 85 ALA CB C 17.215 0.3 1 885 85 85 ALA N N 127.361 0.3 1 886 86 86 VAL H H 7.963 0.020 1 887 86 86 VAL HA H 3.565 0.020 1 888 86 86 VAL HB H 2.830 0.020 1 889 86 86 VAL HG1 H 0.802 0.020 1 890 86 86 VAL HG2 H 0.773 0.020 1 891 86 86 VAL C C 174.782 0.3 1 892 86 86 VAL CA C 62.449 0.3 1 893 86 86 VAL CB C 32.614 0.3 1 894 86 86 VAL CG1 C 22.464 0.3 1 895 86 86 VAL CG2 C 22.228 0.3 1 896 86 86 VAL N N 123.003 0.3 1 897 87 87 HIS H H 8.420 0.020 1 898 87 87 HIS HA H 4.483 0.020 1 899 87 87 HIS HB2 H 2.857 0.020 1 900 87 87 HIS HB3 H 2.800 0.020 1 901 87 87 HIS HD2 H 6.834 0.020 1 902 87 87 HIS HE1 H 8.264 0.020 1 903 87 87 HIS C C 173.703 0.3 1 904 87 87 HIS CA C 57.061 0.3 1 905 87 87 HIS CB C 31.022 0.3 1 906 87 87 HIS N N 126.189 0.3 1 907 88 88 LEU H H 8.420 0.020 1 908 88 88 LEU HA H 4.449 0.020 1 909 88 88 LEU HB2 H 1.603 0.020 1 910 88 88 LEU HB3 H 1.474 0.020 1 911 88 88 LEU HG H 1.590 0.020 1 912 88 88 LEU HD1 H 0.793 0.020 1 913 88 88 LEU HD2 H 0.734 0.020 1 914 88 88 LEU CA C 52.912 0.3 1 915 88 88 LEU CB C 41.790 0.3 1 916 88 88 LEU N N 126.394 0.3 1 917 89 89 PRO HA H 4.642 0.020 1 918 89 89 PRO HB2 H 2.475 0.020 1 919 89 89 PRO HB3 H 2.414 0.020 1 920 89 89 PRO HG2 H 1.373 0.020 1 921 89 89 PRO HG3 H 1.324 0.020 1 922 89 89 PRO HD2 H 4.153 0.020 1 923 89 89 PRO HD3 H 4.104 0.020 1 924 89 89 PRO C C 176.400 0.3 1 925 89 89 PRO CA C 62.269 0.3 1 926 89 89 PRO CB C 34.464 0.3 1 927 89 89 PRO CG C 28.540 0.3 1 928 89 89 PRO CD C 51.998 0.3 1 929 90 90 SER H H 7.575 0.020 1 930 90 90 SER HA H 4.814 0.020 1 931 90 90 SER HB2 H 3.700 0.020 1 932 90 90 SER HB3 H 3.626 0.020 1 933 90 90 SER C C 174.681 0.3 1 934 90 90 SER CA C 56.178 0.3 1 935 90 90 SER CB C 65.799 0.3 1 936 90 90 SER N N 114.246 0.3 1 937 91 91 GLY H H 8.235 0.020 1 938 91 91 GLY HA2 H 4.030 0.020 1 939 91 91 GLY HA3 H 3.834 0.020 1 940 91 91 GLY C C 175.759 0.3 1 941 91 91 GLY CA C 44.795 0.3 1 942 91 91 GLY N N 105.696 0.3 1 943 92 92 GLY H H 7.904 0.020 1 944 92 92 GLY HA2 H 3.871 0.020 1 945 92 92 GLY HA3 H 3.798 0.020 1 946 92 92 GLY C C 173.602 0.3 1 947 92 92 GLY CA C 46.734 0.3 1 948 92 92 GLY N N 107.075 0.3 1 949 93 93 GLN H H 7.806 0.020 1 950 93 93 GLN HA H 4.630 0.020 1 951 93 93 GLN HB2 H 1.833 0.020 1 952 93 93 GLN HB3 H 1.712 0.020 1 953 93 93 GLN HG2 H 2.276 0.020 1 954 93 93 GLN HG3 H 2.250 0.020 1 955 93 93 GLN HE21 H 7.558 0.020 1 956 93 93 GLN HE22 H 6.819 0.020 1 957 93 93 GLN C C 174.478 0.3 1 958 93 93 GLN CA C 55.737 0.3 1 959 93 93 GLN CB C 30.757 0.3 1 960 93 93 GLN CG C 37.207 0.3 1 961 93 93 GLN N N 118.332 0.3 1 962 93 93 GLN NE2 N 112.955 0.3 1 963 94 94 TYR H H 8.198 0.020 1 964 94 94 TYR HA H 4.705 0.020 1 965 94 94 TYR HB2 H 3.241 0.020 1 966 94 94 TYR HB3 H 3.156 0.020 1 967 94 94 TYR HD1 H 6.767 0.020 1 968 94 94 TYR HE1 H 6.881 0.020 1 969 94 94 TYR CA C 56.443 0.3 1 970 94 94 TYR CB C 41.702 0.3 1 971 94 94 TYR N N 118.567 0.3 1 972 95 95 LYS HA H 4.936 0.020 1 973 95 95 LYS HB2 H 1.981 0.020 1 974 95 95 LYS HB3 H 1.463 0.020 1 975 95 95 LYS HG2 H 1.340 0.020 1 976 95 95 LYS HG3 H 1.306 0.020 1 977 95 95 LYS HD2 H 1.510 0.020 1 978 95 95 LYS HD3 H 1.463 0.020 1 979 95 95 LYS HE2 H 2.928 0.020 1 980 95 95 LYS C C 173.063 0.3 1 981 95 95 LYS CA C 58.826 0.3 1 982 95 95 LYS CB C 35.700 0.3 1 983 95 95 LYS CG C 23.829 0.3 1 984 95 95 LYS CD C 30.235 0.3 1 985 95 95 LYS CE C 41.164 0.3 1 986 96 96 ILE H H 8.954 0.020 1 987 96 96 ILE HA H 3.638 0.020 1 988 96 96 ILE HB H 1.165 0.020 1 989 96 96 ILE HG12 H 1.390 0.020 1 990 96 96 ILE HG13 H 1.205 0.020 1 991 96 96 ILE HG2 H 1.089 0.020 1 992 96 96 ILE HD1 H 0.710 0.020 1 993 96 96 ILE C C 176.366 0.3 1 994 96 96 ILE CA C 59.974 0.3 1 995 96 96 ILE CB C 43.556 0.3 1 996 96 96 ILE CG1 C 27.786 0.3 1 997 96 96 ILE CG2 C 17.235 0.3 1 998 96 96 ILE CD1 C 14.503 0.3 1 999 96 96 ILE N N 128.714 0.3 1 1000 97 97 GLN H H 7.625 0.020 1 1001 97 97 GLN HA H 5.21 0.020 1 1002 97 97 GLN HB2 H 2.438 0.020 1 1003 97 97 GLN HB3 H 1.741 0.020 1 1004 97 97 GLN HG2 H 2.683 0.020 1 1005 97 97 GLN HG3 H 2.536 0.020 1 1006 97 97 GLN HE21 H 7.883 0.020 1 1007 97 97 GLN HE22 H 6.289 0.020 1 1008 97 97 GLN C C 177.950 0.3 1 1009 97 97 GLN CA C 53.089 0.3 1 1010 97 97 GLN CB C 32.31 0.3 1 1011 97 97 GLN CG C 33.93 0.3 1 1012 97 97 GLN N N 114.349 0.3 1 1013 97 97 GLN NE2 N 109.266 0.3 1 1014 98 98 ILE H H 6.987 0.020 1 1015 98 98 ILE HA H 4.667 0.020 1 1016 98 98 ILE HB H 1.618 0.020 1 1017 98 98 ILE HG12 H 1.496 0.020 1 1018 98 98 ILE HG13 H 1.288 0.020 1 1019 98 98 ILE HG2 H 0.940 0.020 1 1020 98 98 ILE HD1 H 0.884 0.020 1 1021 98 98 ILE C C 173.433 0.3 1 1022 98 98 ILE CA C 61.651 0.3 1 1023 98 98 ILE CB C 38.172 0.3 1 1024 98 98 ILE CG1 C 25.996 0.3 1 1025 98 98 ILE CG2 C 18.648 0.3 1 1026 98 98 ILE CD1 C 13.937 0.3 1 1027 98 98 ILE N N 114.259 0.3 1 1028 99 99 PHE H H 7.980 0.020 1 1029 99 99 PHE HA H 5.401 0.020 1 1030 99 99 PHE HB2 H 3.345 0.020 1 1031 99 99 PHE HB3 H 3.234 0.020 1 1032 99 99 PHE HD1 H 6.819 0.020 1 1033 99 99 PHE HE1 H 7.206 0.020 1 1034 99 99 PHE HZ H 7.095 0.020 1 1035 99 99 PHE C C 176.501 0.3 1 1036 99 99 PHE CA C 57.502 0.3 1 1037 99 99 PHE CB C 41.967 0.3 1 1038 99 99 PHE N N 117.250 0.3 1 1039 100 100 GLU H H 8.702 0.020 1 1040 100 100 GLU HA H 4.263 0.020 1 1041 100 100 GLU HB2 H 2.221 0.020 1 1042 100 100 GLU HB3 H 2.192 0.020 1 1043 100 100 GLU HG2 H 2.368 0.020 1 1044 100 100 GLU HG3 H 2.336 0.020 1 1045 100 100 GLU C C 175.995 0.3 1 1046 100 100 GLU CA C 58.300 0.3 1 1047 100 100 GLU CB C 33.761 0.3 1 1048 100 100 GLU CG C 36.076 0.3 1 1049 100 100 GLU N N 120.502 0.3 1 1050 101 101 LYS H H 7.743 0.020 1 1051 101 101 LYS HA H 4.422 0.020 1 1052 101 101 LYS HB2 H 1.692 0.020 1 1053 101 101 LYS HB3 H 1.643 0.020 1 1054 101 101 LYS HG2 H 1.361 0.020 1 1055 101 101 LYS HG3 H 1.300 0.020 1 1056 101 101 LYS HD2 H 1.422 0.020 1 1057 101 101 LYS HD3 H 1.394 0.020 1 1058 101 101 LYS HE2 H 3.345 0.020 1 1059 101 101 LYS HE3 H 3.234 0.020 1 1060 101 101 LYS C C 176.332 0.3 1 1061 101 101 LYS CA C 54.593 0.3 1 1062 101 101 LYS CB C 36.763 0.3 1 1063 101 101 LYS CG C 26.184 0.3 1 1064 101 101 LYS CD C 31.743 0.3 1 1065 101 101 LYS N N 112.531 0.3 1 1066 102 102 GLY H H 8.500 0.020 1 1067 102 102 GLY HA2 H 4.395 0.020 1 1068 102 102 GLY HA3 H 3.710 0.020 1 1069 102 102 GLY CA C 45.586 0.3 1 1070 102 102 GLY N N 106.484 0.3 1 1071 103 103 ASP HA H 3.063 0.020 1 1072 103 103 ASP HB2 H 2.622 0.020 1 1073 103 103 ASP HB3 H 2.475 0.020 1 1074 103 103 ASP C C 173.467 0.3 1 1075 103 103 ASP CA C 55.649 0.3 1 1076 103 103 ASP CB C 36.759 0.3 1 1077 104 104 PHE H H 7.762 0.020 1 1078 104 104 PHE HA H 4.055 0.020 1 1079 104 104 PHE HB2 H 2.708 0.020 1 1080 104 104 PHE HB3 H 2.255 0.020 1 1081 104 104 PHE HD1 H 6.591 0.020 1 1082 104 104 PHE HE1 H 6.836 0.020 1 1083 104 104 PHE HZ H 6.725 0.020 1 1084 104 104 PHE C C 175.422 0.3 1 1085 104 104 PHE CA C 54.678 0.3 1 1086 104 104 PHE CB C 34.288 0.3 1 1087 104 104 PHE N N 111.950 0.3 1 1088 105 105 SER H H 6.400 0.020 1 1089 105 105 SER HA H 4.814 0.020 1 1090 105 105 SER HB2 H 3.700 0.020 1 1091 105 105 SER HB3 H 3.638 0.020 1 1092 105 105 SER C C 173.063 0.3 1 1093 105 105 SER CA C 57.767 0.3 1 1094 105 105 SER CB C 66.417 0.3 1 1095 105 105 SER N N 113.495 0.3 1 1096 106 106 GLY H H 8.235 0.020 1 1097 106 106 GLY HA2 H 4.397 0.020 1 1098 106 106 GLY HA3 H 3.773 0.020 1 1099 106 106 GLY C C 174.782 0.3 1 1100 106 106 GLY CA C 44.792 0.3 1 1101 106 106 GLY N N 105.877 0.3 1 1102 107 107 GLN H H 8.453 0.020 1 1103 107 107 GLN HA H 3.773 0.020 1 1104 107 107 GLN HB2 H 1.790 0.020 1 1105 107 107 GLN HB3 H 1.728 0.020 1 1106 107 107 GLN HG2 H 1.998 0.020 1 1107 107 107 GLN HG3 H 1.912 0.020 1 1108 107 107 GLN HE21 H 6.870 0.020 1 1109 107 107 GLN HE22 H 6.806 0.020 1 1110 107 107 GLN C C 173.669 0.3 1 1111 107 107 GLN CA C 58.915 0.3 1 1112 107 107 GLN CB C 31.728 0.3 1 1113 107 107 GLN CG C 30.424 0.3 1 1114 107 107 GLN N N 119.580 0.3 1 1115 107 107 GLN NE2 N 114.106 0.3 1 1116 108 108 MET H H 7.585 0.020 1 1117 108 108 MET HA H 4.850 0.020 1 1118 108 108 MET HB2 H 1.532 0.020 1 1119 108 108 MET HB3 H 1.471 0.020 1 1120 108 108 MET HG2 H 1.398 0.020 1 1121 108 108 MET HG3 H 1.337 0.020 1 1122 108 108 MET C C 174.950 0.3 1 1123 108 108 MET CA C 53.618 0.3 1 1124 108 108 MET CB C 35.965 0.3 1 1125 108 108 MET CG C 31.822 0.3 1 1126 108 108 MET CE C 17.175 0.3 1 1127 108 108 MET N N 124.178 0.3 1 1128 109 109 TYR H H 8.146 0.020 1 1129 109 109 TYR HA H 4.850 0.020 1 1130 109 109 TYR HB2 H 2.879 0.020 1 1131 109 109 TYR HB3 H 1.732 0.020 1 1132 109 109 TYR HD2 H 6.900 0.020 1 1133 109 109 TYR HE1 H 7.053 0.020 1 1134 109 109 TYR C C 176.400 0.3 1 1135 109 109 TYR CA C 58.120 0.3 1 1136 109 109 TYR CB C 42.497 0.3 1 1137 109 109 TYR N N 122.198 0.3 1 1138 110 110 GLU H H 8.500 0.020 1 1139 110 110 GLU HA H 5.352 0.020 1 1140 110 110 GLU HB2 H 1.924 0.020 1 1141 110 110 GLU HB3 H 1.790 0.020 1 1142 110 110 GLU HG2 H 2.112 0.020 1 1143 110 110 GLU HG3 H 2.083 0.020 1 1144 110 110 GLU C C 175.557 0.3 1 1145 110 110 GLU CA C 56.531 0.3 1 1146 110 110 GLU CB C 36.45 0.3 1 1147 110 110 GLU CG C 38.432 0.3 1 1148 110 110 GLU N N 123.819 0.3 1 1149 111 111 THR H H 8.818 0.020 1 1150 111 111 THR HA H 5.144 0.020 1 1151 111 111 THR HB H 4.312 0.020 1 1152 111 111 THR HG2 H 1.386 0.020 1 1153 111 111 THR C C 171.546 0.3 1 1154 111 111 THR CA C 60.503 0.3 1 1155 111 111 THR CB C 71.537 0.3 1 1156 111 111 THR CG2 C 20.626 0.3 1 1157 111 111 THR N N 118.194 0.3 1 1158 112 112 THR H H 8.070 0.020 1 1159 112 112 THR HA H 5.279 0.020 1 1160 112 112 THR HB H 4.471 0.020 1 1161 112 112 THR HG2 H 1.655 0.020 1 1162 112 112 THR C C 177.849 0.3 1 1163 112 112 THR CA C 61.916 0.3 1 1164 112 112 THR CB C 71.272 0.3 1 1165 112 112 THR CG2 C 25.148 0.3 1 1166 112 112 THR N N 114.930 0.3 1 1167 113 113 GLU H H 8.244 0.020 1 1168 113 113 GLU HA H 4.642 0.020 1 1169 113 113 GLU HB2 H 1.843 0.020 1 1170 113 113 GLU HB3 H 1.809 0.020 1 1171 113 113 GLU HG2 H 2.280 0.020 1 1172 113 113 GLU HG3 H 2.243 0.020 1 1173 113 113 GLU C C 175.119 0.3 1 1174 113 113 GLU CA C 55.119 0.3 1 1175 113 113 GLU CB C 33.582 0.3 1 1176 113 113 GLU CG C 36.924 0.3 1 1177 113 113 GLU N N 121.430 0.3 1 1178 114 114 ASP H H 8.200 0.020 1 1179 114 114 ASP HA H 4.704 0.020 1 1180 114 114 ASP HB2 H 2.475 0.020 1 1181 114 114 ASP HB3 H 2.280 0.020 1 1182 114 114 ASP C C 176.501 0.3 1 1183 114 114 ASP CA C 56.620 0.3 1 1184 114 114 ASP CB C 41.790 0.3 1 1185 114 114 ASP N N 118.405 0.3 1 1186 115 115 CYS H H 8.745 0.020 1 1187 115 115 CYS HA H 4.765 0.020 1 1188 115 115 CYS HB2 H 2.598 0.020 1 1189 115 115 CYS HB3 H 2.279 0.020 1 1190 115 115 CYS CA C 57.855 0.3 1 1191 115 115 CYS CB C 30.051 0.3 1 1192 115 115 CYS N N 120.606 0.3 1 1193 116 116 PRO HA H 3.859 0.020 1 1194 116 116 PRO HB2 H 1.790 0.020 1 1195 116 116 PRO HB3 H 1.741 0.020 1 1196 116 116 PRO HG2 H 1.886 0.020 1 1197 116 116 PRO HG3 H 1.851 0.020 1 1198 116 116 PRO HD2 H 3.831 0.020 1 1199 116 116 PRO HD3 H 3.785 0.020 1 1200 116 116 PRO C C 175.894 0.3 1 1201 116 116 PRO CA C 64.652 0.3 1 1202 116 116 PRO CB C 32.346 0.3 1 1203 116 116 PRO CG C 26.750 0.3 1 1204 116 116 PRO CD C 51.904 0.3 1 1205 117 117 SER H H 7.065 0.020 1 1206 117 117 SER HA H 4.826 0.020 1 1207 117 117 SER HB2 H 3.859 0.020 1 1208 117 117 SER HB3 H 3.430 0.020 1 1209 117 117 SER C C 175.456 0.3 1 1210 117 117 SER CA C 57.590 0.3 1 1211 117 117 SER CB C 63.328 0.3 1 1212 117 117 SER N N 111.664 0.3 1 1213 118 118 ILE H H 8.578 0.020 1 1214 118 118 ILE HA H 3.908 0.020 1 1215 118 118 ILE HB H 1.723 0.020 1 1216 118 118 ILE HG12 H 1.705 0.020 1 1217 118 118 ILE HG13 H 1.688 0.020 1 1218 118 118 ILE HG2 H 0.983 0.020 1 1219 118 118 ILE HD1 H 0.864 0.020 1 1220 118 118 ILE C C 178.861 0.3 1 1221 118 118 ILE CA C 65.623 0.3 1 1222 118 118 ILE CB C 39.054 0.3 1 1223 118 118 ILE CG1 C 28.634 0.3 1 1224 118 118 ILE CG2 C 18.721 0.3 1 1225 118 118 ILE CD1 C 15.821 0.3 1 1226 118 118 ILE N N 131.563 0.3 1 1227 119 119 MET H H 8.818 0.020 1 1228 119 119 MET HA H 4.202 0.020 1 1229 119 119 MET HB2 H 2.022 0.020 1 1230 119 119 MET HB3 H 1.814 0.020 1 1231 119 119 MET HG2 H 2.598 0.020 1 1232 119 119 MET HG3 H 2.536 0.020 1 1233 119 119 MET C C 178.861 0.3 1 1234 119 119 MET CA C 59.268 0.3 1 1235 119 119 MET CB C 32.081 0.3 1 1236 119 119 MET CG C 33.533 0.3 1 1237 119 119 MET N N 123.563 0.3 1 1238 120 120 GLU H H 7.553 0.020 1 1239 120 120 GLU HA H 3.798 0.020 1 1240 120 120 GLU HB2 H 1.769 0.020 1 1241 120 120 GLU HB3 H 1.734 0.020 1 1242 120 120 GLU HG2 H 1.868 0.020 1 1243 120 120 GLU HG3 H 1.839 0.020 1 1244 120 120 GLU C C 177.613 0.3 1 1245 120 120 GLU CA C 59.444 0.3 1 1246 120 120 GLU CB C 30.404 0.3 1 1247 120 120 GLU CG C 36.642 0.3 1 1248 120 120 GLU N N 117.537 0.3 1 1249 121 121 GLN H H 7.199 0.020 1 1250 121 121 GLN HA H 3.785 0.020 1 1251 121 121 GLN HB2 H 1.386 0.020 1 1252 121 121 GLN HB3 H 1.339 0.020 1 1253 121 121 GLN HG2 H 1.447 0.020 1 1254 121 121 GLN HG3 H 1.315 0.020 1 1255 121 121 GLN HE21 H 6.945 0.020 1 1256 121 121 GLN HE22 H 6.709 0.020 1 1257 121 121 GLN C C 176.602 0.3 1 1258 121 121 GLN CA C 58.650 0.3 1 1259 121 121 GLN CB C 30.404 0.3 1 1260 121 121 GLN CG C 33.815 0.3 1 1261 121 121 GLN N N 113.744 0.3 1 1262 121 121 GLN NE2 N 111.204 0.3 1 1263 122 122 PHE H H 7.742 0.020 1 1264 122 122 PHE HA H 4.300 0.020 1 1265 122 122 PHE HB2 H 2.732 0.020 1 1266 122 122 PHE HB3 H 2.304 0.020 1 1267 122 122 PHE HD1 H 6.853 0.020 1 1268 122 122 PHE HE1 H 7.155 0.020 1 1269 122 122 PHE HZ H 6.930 0.020 1 1270 122 122 PHE C C 174.445 0.3 1 1271 122 122 PHE CA C 56.973 0.3 1 1272 122 122 PHE CB C 41.084 0.3 1 1273 122 122 PHE N N 113.628 0.3 1 1274 123 123 HIS H H 7.391 0.020 1 1275 123 123 HIS HA H 4.691 0.020 1 1276 123 123 HIS HB2 H 3.357 0.020 1 1277 123 123 HIS HB3 H 3.283 0.020 1 1278 123 123 HIS HD2 H 6.851 0.020 1 1279 123 123 HIS HE1 H 7.736 0.020 1 1280 123 123 HIS C C 174.512 0.3 1 1281 123 123 HIS CA C 57.679 0.3 1 1282 123 123 HIS CB C 27.579 0.3 1 1283 123 123 HIS N N 115.083 0.3 1 1284 124 124 MET H H 6.867 0.020 1 1285 124 124 MET HA H 4.716 0.020 1 1286 124 124 MET HB2 H 2.108 0.020 1 1287 124 124 MET HB3 H 1.618 0.020 1 1288 124 124 MET HG2 H 2.512 0.020 1 1289 124 124 MET HG3 H 2.451 0.020 1 1290 124 124 MET C C 174.580 0.3 1 1291 124 124 MET CA C 55.649 0.3 1 1292 124 124 MET CB C 38.436 0.3 1 1293 124 124 MET CG C 32.214 0.3 1 1294 124 124 MET N N 115.616 0.3 1 1295 125 125 ARG H H 8.784 0.020 1 1296 125 125 ARG HA H 4.324 0.020 1 1297 125 125 ARG HB2 H 1.851 0.020 1 1298 125 125 ARG HB3 H 1.777 0.020 1 1299 125 125 ARG HG2 H 1.651 0.020 1 1300 125 125 ARG HG3 H 1.608 0.020 1 1301 125 125 ARG HE H 7.274 0.020 1 1302 125 125 ARG C C 175.591 0.3 1 1303 125 125 ARG CA C 57.414 0.3 1 1304 125 125 ARG CB C 32.699 0.3 1 1305 125 125 ARG CG C 28.634 0.3 1 1306 125 125 ARG CD C 44.178 0.3 1 1307 125 125 ARG N N 118.358 0.3 1 1308 126 126 GLU H H 7.475 0.020 1 1309 126 126 GLU HA H 4.802 0.020 1 1310 126 126 GLU HB2 H 2.034 0.020 1 1311 126 126 GLU HB3 H 1.912 0.020 1 1312 126 126 GLU HG2 H 2.512 0.020 1 1313 126 126 GLU HG3 H 2.488 0.020 1 1314 126 126 GLU C C 174.950 0.3 1 1315 126 126 GLU CA C 54.942 0.3 1 1316 126 126 GLU CB C 35.170 0.3 1 1317 126 126 GLU CG C 36.830 0.3 1 1318 126 126 GLU N N 115.437 0.3 1 1319 127 127 ILE H H 8.069 0.020 1 1320 127 127 ILE HA H 4.705 0.020 1 1321 127 127 ILE HB H 1.453 0.020 1 1322 127 127 ILE HG12 H 1.777 0.020 1 1323 127 127 ILE HG13 H 1.590 0.020 1 1324 127 127 ILE HG2 H 0.874 0.020 1 1325 127 127 ILE HD1 H 0.738 0.020 1 1326 127 127 ILE CA C 62.092 0.3 1 1327 127 127 ILE CB C 40.996 0.3 1 1328 127 127 ILE N N 119.145 0.3 1 1329 128 128 HIS HA H 4.691 0.020 1 1330 128 128 HIS HB2 H 3.136 0.020 1 1331 128 128 HIS HB3 H 2.879 0.020 1 1332 128 128 HIS HD2 H 7.191 0.020 1 1333 128 128 HIS HE1 H 8.077 0.020 1 1334 128 128 HIS C C 174.681 0.3 1 1335 128 128 HIS CA C 58.385 0.3 1 1336 128 128 HIS CB C 35.700 0.3 1 1337 129 129 SER H H 7.837 0.020 1 1338 129 129 SER HA H 4.397 0.020 1 1339 129 129 SER HB2 H 3.859 0.020 1 1340 129 129 SER HB3 H 3.491 0.020 1 1341 129 129 SER C C 173.771 0.3 1 1342 129 129 SER CA C 60.150 0.3 1 1343 129 129 SER CB C 65.623 0.3 1 1344 129 129 SER N N 105.395 0.3 1 1345 130 130 CYS H H 9.832 0.020 1 1346 130 130 CYS HA H 5.732 0.020 1 1347 130 130 CYS HB2 H 3.210 0.020 1 1348 130 130 CYS HB3 H 2.965 0.020 1 1349 130 130 CYS CA C 58.473 0.3 1 1350 130 130 CYS CB C 30.492 0.3 1 1351 130 130 CYS N N 114.830 0.3 1 1352 132 132 VAL HA H 4.495 0.020 1 1353 132 132 VAL HB H 2.341 0.020 1 1354 132 132 VAL HG1 H 1.092 0.020 1 1355 132 132 VAL C C 173.029 0.3 1 1356 132 132 VAL CA C 59.003 0.3 1 1357 132 132 VAL CB C 30.757 0.3 1 1358 133 133 LEU H H 8.443 0.020 1 1359 133 133 LEU HA H 4.495 0.020 1 1360 133 133 LEU HB2 H 1.697 0.020 1 1361 133 133 LEU HB3 H 1.618 0.020 1 1362 133 133 LEU HG H 1.645 0.020 1 1363 133 133 LEU HD1 H 0.583 0.020 1 1364 133 133 LEU C C 173.568 0.3 1 1365 133 133 LEU CA C 53.530 0.3 1 1366 133 133 LEU CB C 42.408 0.3 1 1367 133 133 LEU CG C 28.728 0.3 1 1368 133 133 LEU CD1 C 25.404 0.3 1 1369 133 133 LEU CD2 C 24.326 0.3 1 1370 133 133 LEU N N 122.491 0.3 1 1371 134 134 GLU H H 8.686 0.020 1 1372 134 134 GLU HA H 4.618 0.020 1 1373 134 134 GLU HB2 H 1.998 0.020 1 1374 134 134 GLU HB3 H 1.826 0.020 1 1375 134 134 GLU HG2 H 2.536 0.020 1 1376 134 134 GLU HG3 H 2.438 0.020 1 1377 134 134 GLU C C 175.220 0.3 1 1378 134 134 GLU CA C 54.501 0.3 1 1379 134 134 GLU CB C 34.729 0.3 1 1380 134 134 GLU CG C 37.584 0.3 1 1381 134 134 GLU N N 122.772 0.3 1 1382 135 135 GLY H H 8.103 0.020 1 1383 135 135 GLY HA2 H 4.361 0.020 1 1384 135 135 GLY HA3 H 3.847 0.020 1 1385 135 135 GLY CA C 46.734 0.3 1 1386 135 135 GLY N N 106.879 0.3 1 1387 137 137 TRP HA H 5.193 0.020 1 1388 137 137 TRP HB2 H 2.977 0.020 1 1389 137 137 TRP HB3 H 2.218 0.020 1 1390 137 137 TRP HD1 H 7.190 0.020 1 1391 137 137 TRP HE1 H 8.929 0.020 1 1392 137 137 TRP HE3 H 6.862 0.020 1 1393 137 137 TRP HZ2 H 6.800 0.020 1 1394 137 137 TRP HZ3 H 6.687 0.020 1 1395 137 137 TRP HH2 H 6.585 0.020 1 1396 137 137 TRP C C 173.332 0.3 1 1397 137 137 TRP CA C 56.443 0.3 1 1398 137 137 TRP CB C 33.317 0.3 1 1399 137 137 TRP NE1 N 123.489 0.3 1 1400 138 138 ILE H H 9.334 0.020 1 1401 138 138 ILE HA H 4.508 0.020 1 1402 138 138 ILE HB H 1.471 0.020 1 1403 138 138 ILE HG12 H 1.569 0.020 1 1404 138 138 ILE HG13 H 1.349 0.020 1 1405 138 138 ILE HG2 H 0.738 0.020 1 1406 138 138 ILE HD1 H 0.619 0.020 1 1407 138 138 ILE C C 176.568 0.3 1 1408 138 138 ILE CA C 60.062 0.3 1 1409 138 138 ILE CB C 41.261 0.3 1 1410 138 138 ILE CG1 C 31.460 0.3 1 1411 138 138 ILE CG2 C 18.836 0.3 1 1412 138 138 ILE CD1 C 15.727 0.3 1 1413 138 138 ILE N N 119.281 0.3 1 1414 139 139 PHE H H 8.816 0.020 1 1415 139 139 PHE HA H 5.389 0.020 1 1416 139 139 PHE HB2 H 2.916 0.020 1 1417 139 139 PHE HB3 H 2.853 0.020 1 1418 139 139 PHE HD1 H 6.976 0.020 1 1419 139 139 PHE HE1 H 7.116 0.020 1 1420 139 139 PHE HZ H 7.066 0.020 1 1421 139 139 PHE C C 174.917 0.3 1 1422 139 139 PHE CA C 53.707 0.3 1 1423 139 139 PHE CB C 41.790 0.3 1 1424 139 139 PHE N N 125.282 0.3 1 1425 140 140 TYR H H 8.850 0.020 1 1426 140 140 TYR HA H 5.64 0.020 1 1427 140 140 TYR HB2 H 3.34 0.020 1 1428 140 140 TYR HB3 H 3.31 0.020 1 1429 140 140 TYR HD1 H 6.639 0.020 1 1430 140 140 TYR HE1 H 7.039 0.020 1 1431 140 140 TYR C C 178.186 0.3 1 1432 140 140 TYR CA C 57.149 0.3 1 1433 140 140 TYR CB C 40.202 0.3 1 1434 140 140 TYR N N 116.558 0.3 1 1435 141 141 GLU H H 9.093 0.020 1 1436 141 141 GLU HA H 4.58 0.020 1 1437 141 141 GLU HB2 H 2.65 0.020 1 1438 141 141 GLU HB3 H 2.41 0.020 1 1439 141 141 GLU HG2 H 2.396 0.020 1 1440 141 141 GLU HG3 H 2.341 0.020 1 1441 141 141 GLU C C 175.389 0.3 1 1442 141 141 GLU CA C 59.621 0.3 1 1443 141 141 GLU CB C 32.346 0.3 1 1444 141 141 GLU CG C 36.265 0.3 1 1445 141 141 GLU N N 120.482 0.3 1 1446 142 142 LEU H H 7.952 0.020 1 1447 142 142 LEU HA H 4.92 0.020 1 1448 142 142 LEU HB2 H 1.487 0.020 1 1449 142 142 LEU HB3 H 1.368 0.020 1 1450 142 142 LEU HG H 1.590 0.020 1 1451 142 142 LEU HD1 H 0.943 0.020 1 1452 142 142 LEU HD2 H 0.806 0.020 1 1453 142 142 LEU CA C 52.647 0.3 1 1454 142 142 LEU CB C 42.497 0.3 1 1455 142 142 LEU N N 113.332 0.3 1 1456 143 143 PRO HA H 4.091 0.020 1 1457 143 143 PRO HB2 H 2.365 0.020 1 1458 143 143 PRO HB3 H 1.716 0.020 1 1459 143 143 PRO HG2 H 1.783 0.020 1 1460 143 143 PRO HG3 H 1.754 0.020 1 1461 143 143 PRO HD2 H 4.042 0.020 1 1462 143 143 PRO HD3 H 3.993 0.020 1 1463 143 143 PRO C C 175.692 0.3 1 1464 143 143 PRO CA C 63.157 0.3 1 1465 143 143 PRO CB C 32.875 0.3 1 1466 143 143 PRO CG C 27.032 0.3 1 1467 143 143 PRO CD C 52.280 0.3 1 1468 144 144 ASN H H 9.589 0.020 1 1469 144 144 ASN HA H 3.20 0.020 1 1470 144 144 ASN HB2 H 2.75 0.020 1 1471 144 144 ASN HB3 H 2.52 0.020 1 1472 144 144 ASN HD21 H 7.287 0.020 1 1473 144 144 ASN HD22 H 6.663 0.020 1 1474 144 144 ASN C C 176.063 0.3 1 1475 144 144 ASN CA C 54.854 0.3 1 1476 144 144 ASN CB C 37.377 0.3 1 1477 144 144 ASN N N 112.743 0.3 1 1478 144 144 ASN ND2 N 112.473 0.3 1 1479 145 145 TYR H H 7.737 0.020 1 1480 145 145 TYR HA H 2.86 0.020 1 1481 145 145 TYR HB2 H 2.96 0.020 1 1482 145 145 TYR HB3 H 1.76 0.020 1 1483 145 145 TYR HD1 H 6.759 0.020 1 1484 145 145 TYR HE1 H 6.845 0.020 1 1485 145 145 TYR C C 175.119 0.3 1 1486 145 145 TYR CA C 54.589 0.3 1 1487 145 145 TYR CB C 33.68 0.3 1 1488 145 145 TYR N N 112.415 0.3 1 1489 146 146 ARG H H 6.085 0.020 1 1490 146 146 ARG HA H 4.740 0.020 1 1491 146 146 ARG HB2 H 1.834 0.020 1 1492 146 146 ARG HB3 H 1.819 0.020 1 1493 146 146 ARG HG2 H 1.517 0.020 1 1494 146 146 ARG HG3 H 1.487 0.020 1 1495 146 146 ARG HD2 H 3.149 0.020 1 1496 146 146 ARG HD3 H 3.063 0.020 1 1497 146 146 ARG HE H 7.047 0.020 1 1498 146 146 ARG C C 175.018 0.3 1 1499 146 146 ARG CA C 54.413 0.3 1 1500 146 146 ARG CB C 34.906 0.3 1 1501 146 146 ARG CG C 27.598 0.3 1 1502 146 146 ARG CD C 44.744 0.3 1 1503 146 146 ARG N N 116.830 0.3 1 1504 147 147 GLY H H 8.342 0.020 1 1505 147 147 GLY HA2 H 4.29 0.020 1 1506 147 147 GLY HA3 H 3.810 0.020 1 1507 147 147 GLY C C 173.771 0.3 1 1508 147 147 GLY CA C 44.792 0.3 1 1509 147 147 GLY N N 105.342 0.3 1 1510 148 148 ARG H H 8.420 0.020 1 1511 148 148 ARG HA H 4.05 0.020 1 1512 148 148 ARG HB2 H 1.84 0.020 1 1513 148 148 ARG HB3 H 1.65 0.020 1 1514 148 148 ARG HG2 H 1.924 0.020 1 1515 148 148 ARG HG3 H 1.618 0.020 1 1516 148 148 ARG HE H 7.539 0.020 1 1517 148 148 ARG CA C 58.650 0.3 1 1518 148 148 ARG CB C 31.287 0.3 1 1519 148 148 ARG N N 120.540 0.3 1 1520 149 149 GLN HA H 4.88 0.020 1 1521 149 149 GLN HB2 H 1.75 0.020 1 1522 149 149 GLN HB3 H 1.56 0.020 1 1523 149 149 GLN HG2 H 2.715 0.020 1 1524 149 149 GLN HG3 H 2.694 0.020 1 1525 149 149 GLN HE21 H 7.293 0.020 1 1526 149 149 GLN HE22 H 6.706 0.020 1 1527 149 149 GLN C C 171.579 0.3 1 1528 149 149 GLN CA C 53.91 0.3 1 1529 149 149 GLN CB C 32.53 0.3 1 1530 149 149 GLN CG C 35.04 0.3 1 1531 149 149 GLN NE2 N 113.420 0.3 1 1532 150 150 TYR H H 7.631 0.020 1 1533 150 150 TYR HA H 4.87 0.020 1 1534 150 150 TYR HB2 H 3.49 0.020 1 1535 150 150 TYR HB3 H 2.64 0.020 1 1536 150 150 TYR HD1 H 6.955 0.020 1 1537 150 150 TYR HE1 H 7.066 0.020 1 1538 150 150 TYR C C 174.883 0.3 1 1539 150 150 TYR CA C 56.23 0.3 1 1540 150 150 TYR CB C 40.24 0.3 1 1541 150 150 TYR N N 114.480 0.3 1 1542 151 151 LEU H H 8.148 0.020 1 1543 151 151 LEU HA H 4.774 0.020 1 1544 151 151 LEU HB2 H 1.794 0.020 1 1545 151 151 LEU HB3 H 1.692 0.020 1 1546 151 151 LEU HG H 1.147 0.020 1 1547 151 151 LEU HD1 H 0.687 0.020 1 1548 151 151 LEU HD2 H 0.551 0.020 1 1549 151 151 LEU C C 174.074 0.3 1 1550 151 151 LEU CA C 53.442 0.3 1 1551 151 151 LEU CB C 42.320 0.3 1 1552 151 151 LEU CG C 30.401 0.3 1 1553 151 151 LEU CD1 C 30.179 0.3 1 1554 151 151 LEU CD2 C 28.889 0.3 1 1555 151 151 LEU N N 125.221 0.3 1 1556 152 152 LEU H H 9.133 0.020 1 1557 152 152 LEU HA H 4.722 0.020 1 1558 152 152 LEU HB2 H 1.237 0.020 1 1559 152 152 LEU HB3 H 1.180 0.020 1 1560 152 152 LEU HG H 1.308 0.020 1 1561 152 152 LEU HD1 H 0.670 0.020 1 1562 152 152 LEU HD2 H 0.568 0.020 1 1563 152 152 LEU CA C 55.031 0.3 1 1564 152 152 LEU CB C 43.997 0.3 1 1565 152 152 LEU N N 130.970 0.3 1 1566 153 153 ASP HA H 4.410 0.020 1 1567 153 153 ASP HB2 H 3.173 0.020 1 1568 153 153 ASP HB3 H 2.647 0.020 1 1569 153 153 ASP C C 174.074 0.3 1 1570 153 153 ASP CA C 54.766 0.3 1 1571 153 153 ASP CB C 36.847 0.3 1 1572 154 154 LYS H H 7.434 0.020 1 1573 154 154 LYS HA H 4.671 0.020 1 1574 154 154 LYS HB2 H 2.203 0.020 1 1575 154 154 LYS HB3 H 2.117 0.020 1 1576 154 154 LYS CA C 56.178 0.3 1 1577 154 154 LYS CB C 35.435 0.3 1 1578 154 154 LYS N N 112.677 0.3 1 1579 155 155 LYS HA H 5.279 0.020 1 1580 155 155 LYS HB2 H 1.952 0.020 1 1581 155 155 LYS HB3 H 1.934 0.020 1 1582 155 155 LYS HG2 H 1.684 0.020 1 1583 155 155 LYS HG3 H 1.649 0.020 1 1584 155 155 LYS HD2 H 1.728 0.020 1 1585 155 155 LYS HD3 H 1.630 0.020 1 1586 155 155 LYS HE2 H 2.953 0.020 1 1587 155 155 LYS HE3 H 2.879 0.020 1 1588 155 155 LYS C C 177.816 0.3 1 1589 155 155 LYS CA C 55.296 0.3 1 1590 155 155 LYS CB C 33.582 0.3 1 1591 156 156 GLU H H 8.235 0.020 1 1592 156 156 GLU HA H 3.428 0.020 1 1593 156 156 GLU HB2 H 2.146 0.020 1 1594 156 156 GLU HB3 H 2.052 0.020 1 1595 156 156 GLU HG2 H 2.305 0.020 1 1596 156 156 GLU HG3 H 2.200 0.020 1 1597 156 156 GLU CA C 58.915 0.3 1 1598 156 156 GLU CB C 31.287 0.3 1 1599 156 156 GLU N N 121.567 0.3 1 1600 157 157 TYR HA H 4.716 0.020 1 1601 157 157 TYR HB2 H 3.369 0.020 1 1602 157 157 TYR C C 174.940 0.3 1 1603 157 157 TYR CA C 58.032 0.3 1 1604 157 157 TYR CB C 40.290 0.3 1 1605 158 158 ARG H H 8.883 0.020 1 1606 158 158 ARG HA H 4.716 0.020 1 1607 158 158 ARG HB2 H 1.839 0.020 1 1608 158 158 ARG HB3 H 1.655 0.020 1 1609 158 158 ARG HG2 H 1.569 0.020 1 1610 158 158 ARG HG3 H 1.474 0.020 1 1611 158 158 ARG HD2 H 3.185 0.020 1 1612 158 158 ARG HD3 H 3.063 0.020 1 1613 158 158 ARG HE H 7.505 0.020 1 1614 158 158 ARG C C 176.568 0.3 1 1615 158 158 ARG CA C 60.327 0.3 1 1616 158 158 ARG CB C 31.904 0.3 1 1617 158 158 ARG N N 124.719 0.3 1 1618 159 159 LYS H H 7.807 0.020 1 1619 159 159 LYS HA H 4.690 0.020 1 1620 159 159 LYS HB2 H 2.186 0.020 1 1621 159 159 LYS HB3 H 1.743 0.020 1 1622 159 159 LYS HG2 H 1.453 0.020 1 1623 159 159 LYS HG3 H 1.300 0.020 1 1624 159 159 LYS HD2 H 1.576 0.020 1 1625 159 159 LYS HD3 H 1.519 0.020 1 1626 159 159 LYS HE2 H 3.173 0.020 1 1627 159 159 LYS HE3 H 2.815 0.020 1 1628 159 159 LYS CA C 54.501 0.3 1 1629 159 159 LYS CB C 31.375 0.3 1 1630 159 159 LYS N N 113.631 0.3 1 1631 160 160 PRO HA H 4.655 0.020 1 1632 160 160 PRO HB2 H 1.640 0.020 1 1633 160 160 PRO HB3 H 1.366 0.020 1 1634 160 160 PRO HG2 H 1.802 0.020 1 1635 160 160 PRO HG3 H 1.667 0.020 1 1636 160 160 PRO C C 178.052 0.3 1 1637 160 160 PRO CA C 64.384 0.3 1 1638 160 160 PRO CB C 31.993 0.3 1 1639 160 160 PRO CG C 27.127 0.3 1 1640 160 160 PRO CD C 47.570 0.3 1 1641 161 161 ILE H H 6.999 0.020 1 1642 161 161 ILE HA H 4.104 0.020 1 1643 161 161 ILE HB H 1.585 0.020 1 1644 161 161 ILE HG12 H 1.571 0.020 1 1645 161 161 ILE HG13 H 1.542 0.020 1 1646 161 161 ILE HG2 H 0.893 0.020 1 1647 161 161 ILE HD1 H 0.868 0.020 1 1648 161 161 ILE C C 178.827 0.3 1 1649 161 161 ILE CA C 61.651 0.3 1 1650 161 161 ILE CB C 38.172 0.3 1 1651 161 161 ILE CG1 C 29.670 0.3 1 1652 161 161 ILE CG2 C 18.930 0.3 1 1653 161 161 ILE CD1 C 15.961 0.3 1 1654 161 161 ILE N N 113.858 0.3 1 1655 162 162 ASP H H 8.096 0.020 1 1656 162 162 ASP HA H 4.495 0.020 1 1657 162 162 ASP HB2 H 3.173 0.020 1 1658 162 162 ASP HB3 H 2.989 0.020 1 1659 162 162 ASP C C 178.827 0.3 1 1660 162 162 ASP CA C 58.120 0.3 1 1661 162 162 ASP CB C 41.967 0.3 1 1662 162 162 ASP N N 123.918 0.3 1 1663 163 163 TRP H H 7.535 0.020 1 1664 163 163 TRP HA H 5.242 0.020 1 1665 163 163 TRP HB2 H 3.198 0.020 1 1666 163 163 TRP HB3 H 2.414 0.020 1 1667 163 163 TRP HD1 H 7.066 0.020 1 1668 163 163 TRP HE1 H 9.935 0.020 1 1669 163 163 TRP HE3 H 7.026 0.020 1 1670 163 163 TRP HZ2 H 6.979 0.020 1 1671 163 163 TRP HZ3 H 6.957 0.020 1 1672 163 163 TRP HH2 H 6.891 0.020 1 1673 163 163 TRP C C 175.894 0.3 1 1674 163 163 TRP CA C 57.944 0.3 1 1675 163 163 TRP CB C 27.579 0.3 1 1676 163 163 TRP N N 116.720 0.3 1 1677 163 163 TRP NE1 N 130.322 0.3 1 1678 164 164 GLY H H 7.723 0.020 1 1679 164 164 GLY HA2 H 4.483 0.020 1 1680 164 164 GLY HA3 H 3.700 0.020 1 1681 164 164 GLY C C 174.175 0.3 1 1682 164 164 GLY CA C 45.939 0.3 1 1683 164 164 GLY N N 107.926 0.3 1 1684 165 165 ALA H H 7.024 0.020 1 1685 165 165 ALA HA H 4.410 0.020 1 1686 165 165 ALA HB H 1.275 0.020 1 1687 165 165 ALA C C 176.467 0.3 1 1688 165 165 ALA CA C 51.853 0.3 1 1689 165 165 ALA CB C 23.607 0.3 1 1690 165 165 ALA N N 123.829 0.3 1 1691 166 166 ALA H H 8.540 0.020 1 1692 166 166 ALA HA H 4.116 0.020 1 1693 166 166 ALA HB H 1.349 0.020 1 1694 166 166 ALA C C 176.467 0.3 1 1695 166 166 ALA CA C 52.471 0.3 1 1696 166 166 ALA CB C 18.157 0.3 1 1697 166 166 ALA N N 121.606 0.3 1 1698 167 167 SER H H 7.550 0.020 1 1699 167 167 SER HA H 4.739 0.020 1 1700 167 167 SER HB2 H 3.684 0.020 1 1701 167 167 SER HB3 H 3.556 0.020 1 1702 167 167 SER CA C 56.002 0.3 1 1703 167 167 SER CB C 65.799 0.3 1 1704 167 167 SER N N 113.921 0.3 1 1705 168 168 PRO HA H 4.508 0.020 1 1706 168 168 PRO HB2 H 1.546 0.020 1 1707 168 168 PRO HB3 H 1.087 0.020 1 1708 168 168 PRO HG2 H 1.581 0.020 1 1709 168 168 PRO HG3 H 1.498 0.020 1 1710 168 168 PRO HD2 H 3.993 0.020 1 1711 168 168 PRO HD3 H 3.847 0.020 1 1712 168 168 PRO C C 174.804 0.3 1 1713 168 168 PRO CA C 63.684 0.3 1 1714 168 168 PRO CB C 31.025 0.3 1 1715 168 168 PRO CG C 27.598 0.3 1 1716 168 168 PRO CD C 49.548 0.3 1 1717 169 169 ALA H H 7.337 0.020 1 1718 169 169 ALA HA H 4.397 0.020 1 1719 169 169 ALA HB H 1.349 0.020 1 1720 169 169 ALA C C 176.130 0.3 1 1721 169 169 ALA CA C 54.416 0.3 1 1722 169 169 ALA CB C 18.745 0.3 1 1723 169 169 ALA N N 123.251 0.3 1 1724 170 170 VAL H H 7.211 0.020 1 1725 170 170 VAL HA H 4.361 0.020 1 1726 170 170 VAL HB H 1.508 0.020 1 1727 170 170 VAL HG1 H 0.737 0.020 1 1728 170 170 VAL HG2 H 0.713 0.020 1 1729 170 170 VAL C C 175.591 0.3 1 1730 170 170 VAL CA C 63.063 0.3 1 1731 170 170 VAL CB C 36.406 0.3 1 1732 170 170 VAL CG1 C 22.667 0.3 1 1733 170 170 VAL CG2 C 21.567 0.3 1 1734 170 170 VAL N N 126.102 0.3 1 1735 171 171 GLN H H 8.395 0.020 1 1736 171 171 GLN HA H 4.667 0.020 1 1737 171 171 GLN HB2 H 2.324 0.020 1 1738 171 171 GLN HB3 H 1.368 0.020 1 1739 171 171 GLN HG2 H 2.344 0.020 1 1740 171 171 GLN HG3 H 2.285 0.020 1 1741 171 171 GLN HE21 H 7.610 0.020 1 1742 171 171 GLN HE22 H 6.985 0.020 1 1743 171 171 GLN C C 175.523 0.3 1 1744 171 171 GLN CA C 56.090 0.3 1 1745 171 171 GLN CB C 34.464 0.3 1 1746 171 171 GLN CG C 34.147 0.3 1 1747 171 171 GLN N N 118.607 0.3 1 1748 171 171 GLN NE2 N 114.302 0.3 1 1749 172 172 SER H H 8.252 0.020 1 1750 172 172 SER HA H 4.446 0.020 1 1751 172 172 SER HB2 H 4.140 0.020 1 1752 172 172 SER HB3 H 4.095 0.020 1 1753 172 172 SER C C 172.827 0.3 1 1754 172 172 SER CA C 59.709 0.3 1 1755 172 172 SER CB C 66.594 0.3 1 1756 172 172 SER N N 111.897 0.3 1 1757 173 173 PHE H H 8.830 0.020 1 1758 173 173 PHE HA H 6.283 0.020 1 1759 173 173 PHE HB2 H 3.626 0.020 1 1760 173 173 PHE HB3 H 3.418 0.020 1 1761 173 173 PHE HD1 H 6.586 0.020 1 1762 173 173 PHE HE1 H 7.114 0.020 1 1763 173 173 PHE HZ H 6.669 0.020 1 1764 173 173 PHE C C 174.276 0.3 1 1765 173 173 PHE CA C 57.502 0.3 1 1766 173 173 PHE CB C 43.997 0.3 1 1767 173 173 PHE N N 111.583 0.3 1 1768 174 174 ARG H H 9.458 0.020 1 1769 174 174 ARG HA H 5.132 0.020 1 1770 174 174 ARG HB2 H 1.68 0.020 1 1771 174 174 ARG HB3 H 1.60 0.020 1 1772 174 174 ARG HG2 H 1.386 0.020 1 1773 174 174 ARG HG3 H 1.362 0.020 1 1774 174 174 ARG HD2 H 3.308 0.020 1 1775 174 174 ARG HD3 H 2.965 0.020 1 1776 174 174 ARG HE H 6.689 0.020 1 1777 174 174 ARG C C 173.804 0.3 1 1778 174 174 ARG CA C 55.472 0.3 1 1779 174 174 ARG CB C 35.082 0.3 1 1780 174 174 ARG CG C 25.93 0.3 1 1781 174 174 ARG N N 116.041 0.3 1 1782 175 175 ARG H H 8.381 0.020 1 1783 175 175 ARG HA H 3.479 0.020 1 1784 175 175 ARG HB2 H 1.501 0.020 1 1785 175 175 ARG HB3 H 1.392 0.020 1 1786 175 175 ARG HG2 H 1.247 0.020 1 1787 175 175 ARG HG3 H 1.221 0.020 1 1788 175 175 ARG HE H 6.747 0.020 1 1789 175 175 ARG C C 173.804 0.3 1 1790 175 175 ARG CA C 54.854 0.3 1 1791 175 175 ARG CB C 34.288 0.3 1 1792 175 175 ARG CG C 24.300 0.3 1 1793 175 175 ARG CD C 41.446 0.3 1 1794 175 175 ARG N N 121.806 0.3 1 1795 176 176 ILE H H 7.808 0.020 1 1796 176 176 ILE HA H 4.667 0.020 1 1797 176 176 ILE HB H 1.197 0.020 1 1798 176 176 ILE HG12 H 1.343 0.020 1 1799 176 176 ILE HG13 H 1.292 0.020 1 1800 176 176 ILE HG2 H 0.908 0.020 1 1801 176 176 ILE HD1 H 0.738 0.020 1 1802 176 176 ILE C C 174.276 0.3 1 1803 176 176 ILE CA C 63.416 0.3 1 1804 176 176 ILE CB C 36.847 0.3 1 1805 176 176 ILE CG1 C 27.786 0.3 1 1806 176 176 ILE N N 121.215 0.3 1 1807 177 177 VAL H H 7.841 0.020 1 1808 177 177 VAL HA H 4.189 0.020 1 1809 177 177 VAL HB H 2.377 0.020 1 1810 177 177 VAL HG1 H 0.651 0.020 1 1811 177 177 VAL HG2 H 0.577 0.020 1 1812 177 177 VAL C C 176.434 0.3 1 1813 177 177 VAL CA C 58.297 0.3 1 1814 177 177 VAL CB C 31.816 0.3 1 1815 177 177 VAL CG1 C 24.489 0.3 1 1816 177 177 VAL CG2 C 22.604 0.3 1 1817 177 177 VAL N N 125.681 0.3 1 1818 178 178 GLU H H 8.465 0.020 1 1819 178 178 GLU HA H 4.165 0.020 1 1820 178 178 GLU HB2 H 1.692 0.020 1 1821 178 178 GLU HB3 H 1.504 0.020 1 1822 178 178 GLU HG2 H 2.100 0.020 1 1823 178 178 GLU HG3 H 1.862 0.020 1 1824 178 178 GLU CA C 57.414 0.3 1 1825 178 178 GLU CB C 32.434 0.3 1 1826 178 178 GLU N N 128.140 0.3 1 stop_ save_