data_15684 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; rat lipocalin 2 ; _BMRB_accession_number 15684 _BMRB_flat_file_name bmr15684.str _Entry_type original _Submission_date 2008-03-17 _Accession_date 2008-03-17 _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 Fang Zhang . . 2 Lili Lou . . 3 Hongchang Gao . . 4 Donghai Lin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 994 "13C chemical shifts" 647 "15N chemical shifts" 175 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-13 update BMRB 'added PubMed ID' 2009-06-05 update BMRB 'completed entry citation' 2009-03-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side-chain 1H, 13C, 15N resonance assignments of rat lipocalin2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636955 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Fang . . 2 Guo Chenyun . . 3 Lou Lili . . 4 Lin Donghai . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 95 _Page_last 97 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name lipocalin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label whole $rat_lipocalin_2 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_rat_lipocalin_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rat_lipocalin_2 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; GSQDSTQNLIPAPPLISVPL QPGFWTERFQGRWFVVGLAG NAVQKERQSRFTMYSTIYEL QEDNSYNVTSILVRGQGCRY WIRTFVPSSRPGQFTLGNIH SYPQIQSYDVQVADTDYDQF AMVFFQKTSENKQYFKVTLY GRTKGLSDELKERFVSFAKS LGLKDNNIVFSVPTDQCIDN LEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 SER 3 1 GLN 4 2 ASP 5 3 SER 6 4 THR 7 5 GLN 8 6 ASN 9 7 LEU 10 8 ILE 11 9 PRO 12 10 ALA 13 11 PRO 14 12 PRO 15 13 LEU 16 14 ILE 17 15 SER 18 16 VAL 19 17 PRO 20 18 LEU 21 19 GLN 22 20 PRO 23 21 GLY 24 22 PHE 25 23 TRP 26 24 THR 27 25 GLU 28 26 ARG 29 27 PHE 30 28 GLN 31 29 GLY 32 30 ARG 33 31 TRP 34 32 PHE 35 33 VAL 36 34 VAL 37 35 GLY 38 36 LEU 39 37 ALA 40 38 GLY 41 39 ASN 42 40 ALA 43 41 VAL 44 42 GLN 45 43 LYS 46 44 GLU 47 45 ARG 48 46 GLN 49 47 SER 50 48 ARG 51 49 PHE 52 50 THR 53 51 MET 54 52 TYR 55 53 SER 56 54 THR 57 55 ILE 58 56 TYR 59 57 GLU 60 58 LEU 61 59 GLN 62 60 GLU 63 61 ASP 64 62 ASN 65 63 SER 66 64 TYR 67 65 ASN 68 66 VAL 69 67 THR 70 68 SER 71 69 ILE 72 70 LEU 73 71 VAL 74 72 ARG 75 73 GLY 76 74 GLN 77 75 GLY 78 76 CYS 79 77 ARG 80 78 TYR 81 79 TRP 82 80 ILE 83 81 ARG 84 82 THR 85 83 PHE 86 84 VAL 87 85 PRO 88 86 SER 89 87 SER 90 88 ARG 91 89 PRO 92 90 GLY 93 91 GLN 94 92 PHE 95 93 THR 96 94 LEU 97 95 GLY 98 96 ASN 99 97 ILE 100 98 HIS 101 99 SER 102 100 TYR 103 101 PRO 104 102 GLN 105 103 ILE 106 104 GLN 107 105 SER 108 106 TYR 109 107 ASP 110 108 VAL 111 109 GLN 112 110 VAL 113 111 ALA 114 112 ASP 115 113 THR 116 114 ASP 117 115 TYR 118 116 ASP 119 117 GLN 120 118 PHE 121 119 ALA 122 120 MET 123 121 VAL 124 122 PHE 125 123 PHE 126 124 GLN 127 125 LYS 128 126 THR 129 127 SER 130 128 GLU 131 129 ASN 132 130 LYS 133 131 GLN 134 132 TYR 135 133 PHE 136 134 LYS 137 135 VAL 138 136 THR 139 137 LEU 140 138 TYR 141 139 GLY 142 140 ARG 143 141 THR 144 142 LYS 145 143 GLY 146 144 LEU 147 145 SER 148 146 ASP 149 147 GLU 150 148 LEU 151 149 LYS 152 150 GLU 153 151 ARG 154 152 PHE 155 153 VAL 156 154 SER 157 155 PHE 158 156 ALA 159 157 LYS 160 158 SER 161 159 LEU 162 160 GLY 163 161 LEU 164 162 LYS 165 163 ASP 166 164 ASN 167 165 ASN 168 166 ILE 169 167 VAL 170 168 PHE 171 169 SER 172 170 VAL 173 171 PRO 174 172 THR 175 173 ASP 176 174 GLN 177 175 CYS 178 176 ILE 179 177 ASP 180 178 ASN 181 179 LEU 182 180 GLU 183 181 HIS 184 182 HIS 185 183 HIS 186 184 HIS 187 185 HIS 188 186 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2K23 "Solution Structure Analysis Of The Rlcn2" 94.68 178 100.00 100.00 1.79e-128 EMBL CAA31657 "unnamed protein product [Rattus norvegicus]" 95.21 198 98.88 99.44 3.72e-128 GB AAB35994 "neu-related lipocalin, NRL=SV40-induced 24p3 gene product homolog {clone 7} [rats, Wistar Furth, neu-initiated mammary carcinom" 95.21 198 99.44 100.00 7.71e-129 GB AAH89053 "Lipocalin 2 [Rattus norvegicus]" 95.21 198 99.44 100.00 7.71e-129 GB EDL93236 "lipocalin 2, isoform CRA_a [Rattus norvegicus]" 95.21 198 99.44 100.00 7.71e-129 REF NP_570097 "neutrophil gelatinase-associated lipocalin precursor [Rattus norvegicus]" 95.21 198 98.88 99.44 3.72e-128 SP P30152 "RecName: Full=Neutrophil gelatinase-associated lipocalin; Short=NGAL; AltName: Full=Alpha-2-microglobulin-related protein; AltN" 95.21 198 99.44 100.00 7.71e-129 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rat_lipocalin_2 Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $rat_lipocalin_2 'recombinant technology' . Escherichia coli . pet22b 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 $rat_lipocalin_2 0.8 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 0.17 . M pH 6.0 0.1 pH pressure 1 . atm temperature 298 0.05 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal 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 '3D HNCACB' 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 whole _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 3 GLN H H 8.683 0.005 . 2 1 3 GLN HA H 4.409 0.017 . 3 1 3 GLN HB2 H 2.149 0.008 . 4 1 3 GLN HB3 H 1.993 0.006 . 5 1 3 GLN HG2 H 2.384 0.000 . 6 1 3 GLN HG3 H 2.384 0.000 . 7 1 3 GLN C C 175.772 0.000 . 8 1 3 GLN CA C 56.206 0.131 . 9 1 3 GLN CB C 29.320 0.030 . 10 1 3 GLN CG C 33.977 0.000 . 11 1 3 GLN N N 121.863 0.073 . 12 2 4 ASP H H 8.238 0.003 . 13 2 4 ASP HA H 4.642 0.006 . 14 2 4 ASP HB2 H 2.715 0.015 . 15 2 4 ASP HB3 H 2.715 0.015 . 16 2 4 ASP C C 176.524 0.000 . 17 2 4 ASP CA C 54.537 0.086 . 18 2 4 ASP CB C 41.266 0.068 . 19 2 4 ASP N N 121.191 0.100 . 20 3 5 SER H H 8.369 0.002 . 21 3 5 SER HA H 4.513 0.008 . 22 3 5 SER HB2 H 3.939 0.015 . 23 3 5 SER HB3 H 3.939 0.015 . 24 3 5 SER C C 175.138 0.000 . 25 3 5 SER CA C 58.664 0.100 . 26 3 5 SER CB C 63.613 0.028 . 27 3 5 SER N N 116.671 0.026 . 28 4 6 THR H H 8.270 0.003 . 29 4 6 THR HA H 4.329 0.015 . 30 4 6 THR HB H 4.308 0.021 . 31 4 6 THR HG2 H 1.235 0.007 . 32 4 6 THR C C 174.651 0.000 . 33 4 6 THR CA C 62.337 0.066 . 34 4 6 THR CB C 69.401 0.040 . 35 4 6 THR CG2 C 21.699 0.098 . 36 4 6 THR N N 115.529 0.015 . 37 5 7 GLN H H 8.238 0.005 . 38 5 7 GLN HA H 4.350 0.012 . 39 5 7 GLN HB2 H 2.124 0.020 . 40 5 7 GLN HB3 H 1.976 0.006 . 41 5 7 GLN HG2 H 2.360 0.011 . 42 5 7 GLN HG3 H 2.360 0.011 . 43 5 7 GLN C C 175.400 0.000 . 44 5 7 GLN CA C 55.807 0.046 . 45 5 7 GLN CB C 29.599 0.108 . 46 5 7 GLN CG C 33.798 0.067 . 47 5 7 GLN N N 122.035 0.022 . 48 6 8 ASN H H 8.391 0.005 . 49 6 8 ASN HA H 4.727 0.016 . 50 6 8 ASN HB2 H 2.803 0.003 . 51 6 8 ASN HB3 H 2.748 0.020 . 52 6 8 ASN C C 174.617 0.000 . 53 6 8 ASN CA C 53.103 0.046 . 54 6 8 ASN CB C 39.042 0.098 . 55 6 8 ASN N N 120.432 0.033 . 56 7 9 LEU H H 8.191 0.005 . 57 7 9 LEU HA H 4.540 0.011 . 58 7 9 LEU HB2 H 1.540 0.015 . 59 7 9 LEU HB3 H 1.519 0.027 . 60 7 9 LEU HD1 H 0.722 0.015 . 61 7 9 LEU HD2 H 0.716 0.020 . 62 7 9 LEU HG H 1.549 0.009 . 63 7 9 LEU C C 177.519 0.000 . 64 7 9 LEU CA C 54.271 0.050 . 65 7 9 LEU CB C 43.078 0.068 . 66 7 9 LEU CD1 C 23.620 0.048 . 67 7 9 LEU CD2 C 25.389 0.128 . 68 7 9 LEU CG C 26.912 0.046 . 69 7 9 LEU N N 123.336 0.043 . 70 8 10 ILE H H 8.800 0.007 . 71 8 10 ILE HA H 4.311 0.006 . 72 8 10 ILE HB H 1.803 0.014 . 73 8 10 ILE HD1 H 1.066 0.008 . 74 8 10 ILE HG12 H 1.351 0.004 . 75 8 10 ILE HG2 H 1.180 0.009 . 76 8 10 ILE CA C 60.283 0.031 . 77 8 10 ILE CB C 39.522 0.041 . 78 8 10 ILE CD1 C 14.293 0.007 . 79 8 10 ILE CG1 C 28.267 0.000 . 80 8 10 ILE CG2 C 16.614 0.010 . 81 8 10 ILE N N 126.755 0.051 . 82 9 11 PRO HA H 4.472 0.009 . 83 9 11 PRO HB2 H 1.834 0.007 . 84 9 11 PRO HB3 H 2.287 0.015 . 85 9 11 PRO HD2 H 3.914 0.025 . 86 9 11 PRO HD3 H 3.740 0.019 . 87 9 11 PRO HG2 H 2.012 0.014 . 88 9 11 PRO HG3 H 2.012 0.014 . 89 9 11 PRO C C 175.745 0.000 . 90 9 11 PRO CA C 62.476 0.064 . 91 9 11 PRO CB C 32.328 0.078 . 92 9 11 PRO CD C 51.019 0.000 . 93 9 11 PRO CG C 27.587 0.083 . 94 10 12 ALA H H 8.084 0.005 . 95 10 12 ALA HA H 3.946 0.009 . 96 10 12 ALA HB H 1.060 0.009 . 97 10 12 ALA CA C 49.665 0.066 . 98 10 12 ALA CB C 17.643 0.380 . 99 10 12 ALA N N 123.075 0.023 . 100 11 13 PRO HA H 4.322 0.000 . 101 11 13 PRO HB2 H 1.943 0.000 . 102 11 13 PRO HB3 H 1.943 0.000 . 103 11 13 PRO HD2 H 2.504 0.010 . 104 11 13 PRO HD3 H 2.504 0.010 . 105 11 13 PRO HG2 H 1.552 0.001 . 106 11 13 PRO HG3 H 1.552 0.001 . 107 12 14 PRO HA H 4.313 0.008 . 108 12 14 PRO HB2 H 2.230 0.099 . 109 12 14 PRO HB3 H 1.981 0.004 . 110 12 14 PRO HD2 H 3.756 0.008 . 111 12 14 PRO HD3 H 3.756 0.008 . 112 12 14 PRO HG2 H 1.775 0.014 . 113 12 14 PRO HG3 H 1.775 0.014 . 114 12 14 PRO C C 178.804 0.000 . 115 12 14 PRO CA C 62.172 0.037 . 116 12 14 PRO CB C 31.931 0.000 . 117 12 14 PRO CD C 49.704 0.059 . 118 12 14 PRO CG C 31.824 0.047 . 119 13 15 LEU H H 8.474 0.003 . 120 13 15 LEU HA H 3.599 0.007 . 121 13 15 LEU HB2 H 1.557 0.011 . 122 13 15 LEU HB3 H 1.557 0.011 . 123 13 15 LEU HD1 H 0.728 0.010 . 124 13 15 LEU HD2 H 0.726 0.004 . 125 13 15 LEU HG H 1.561 0.008 . 126 13 15 LEU C C 179.467 0.000 . 127 13 15 LEU CA C 58.170 0.056 . 128 13 15 LEU CB C 41.096 0.083 . 129 13 15 LEU CD1 C 24.552 0.046 . 130 13 15 LEU CD2 C 23.983 0.050 . 131 13 15 LEU CG C 26.920 0.107 . 132 13 15 LEU N N 127.695 0.041 . 133 14 16 ILE H H 7.902 0.012 . 134 14 16 ILE HA H 4.018 0.017 . 135 14 16 ILE HB H 1.856 0.009 . 136 14 16 ILE HD1 H 0.849 0.009 . 137 14 16 ILE HG12 H 1.345 0.015 . 138 14 16 ILE HG13 H 1.223 0.009 . 139 14 16 ILE HG2 H 0.858 0.011 . 140 14 16 ILE C C 176.227 0.000 . 141 14 16 ILE CA C 62.090 0.053 . 142 14 16 ILE CB C 38.285 0.065 . 143 14 16 ILE CD1 C 13.871 0.050 . 144 14 16 ILE CG1 C 27.682 0.062 . 145 14 16 ILE CG2 C 17.684 0.012 . 146 14 16 ILE N N 113.179 0.047 . 147 15 17 SER H H 7.841 0.005 . 148 15 17 SER HA H 4.344 0.012 . 149 15 17 SER HB2 H 3.810 0.012 . 150 15 17 SER HB3 H 3.810 0.012 . 151 15 17 SER C C 173.435 0.000 . 152 15 17 SER CA C 58.643 0.077 . 153 15 17 SER CB C 64.375 0.042 . 154 15 17 SER N N 117.243 0.042 . 155 16 18 VAL H H 7.420 0.004 . 156 16 18 VAL HA H 3.894 0.015 . 157 16 18 VAL HB H 1.654 0.011 . 158 16 18 VAL HG1 H -0.102 0.006 . 159 16 18 VAL HG2 H 0.575 0.007 . 160 16 18 VAL CA C 60.054 0.066 . 161 16 18 VAL CB C 32.224 0.043 . 162 16 18 VAL CG1 C 20.800 0.009 . 163 16 18 VAL CG2 C 19.887 0.006 . 164 16 18 VAL N N 127.217 0.028 . 165 17 19 PRO HA H 4.216 0.048 . 166 17 19 PRO HB2 H 2.293 0.009 . 167 17 19 PRO HB3 H 1.809 0.087 . 168 17 19 PRO HD2 H 3.441 0.059 . 169 17 19 PRO HD3 H 3.441 0.059 . 170 17 19 PRO HG2 H 1.996 0.023 . 171 17 19 PRO HG3 H 1.996 0.023 . 172 17 19 PRO C C 173.795 0.000 . 173 17 19 PRO CA C 63.758 0.058 . 174 17 19 PRO CB C 32.044 0.205 . 175 17 19 PRO CG C 27.788 0.258 . 176 18 20 LEU H H 7.818 0.005 . 177 18 20 LEU HA H 4.614 0.022 . 178 18 20 LEU HB2 H 1.365 0.013 . 179 18 20 LEU HB3 H 1.023 0.019 . 180 18 20 LEU HD1 H 0.684 0.024 . 181 18 20 LEU HG H 1.609 0.011 . 182 18 20 LEU C C 175.994 0.000 . 183 18 20 LEU CA C 52.247 0.051 . 184 18 20 LEU CB C 45.749 0.012 . 185 18 20 LEU CD1 C 26.287 0.123 . 186 18 20 LEU N N 122.452 0.021 . 187 19 21 GLN H H 8.443 0.006 . 188 19 21 GLN HA H 4.293 0.009 . 189 19 21 GLN HB2 H 1.896 0.023 . 190 19 21 GLN HB3 H 1.896 0.023 . 191 19 21 GLN HE21 H 7.011 0.000 . 192 19 21 GLN HE22 H 7.011 0.000 . 193 19 21 GLN HG2 H 2.327 0.010 . 194 19 21 GLN HG3 H 2.327 0.010 . 195 19 21 GLN CA C 53.243 0.000 . 196 19 21 GLN N N 129.609 0.026 . 197 20 22 PRO HA H 4.437 0.016 . 198 20 22 PRO HB2 H 1.989 0.020 . 199 20 22 PRO HB3 H 2.332 0.011 . 200 20 22 PRO HG2 H 1.952 0.000 . 201 20 22 PRO HG3 H 1.952 0.000 . 202 20 22 PRO C C 178.411 0.000 . 203 20 22 PRO CA C 62.622 0.042 . 204 20 22 PRO CB C 32.103 0.105 . 205 20 22 PRO CG C 28.018 0.000 . 206 21 23 GLY H H 8.646 0.003 . 207 21 23 GLY HA2 H 3.881 0.010 . 208 21 23 GLY HA3 H 3.670 0.007 . 209 21 23 GLY C C 177.141 0.000 . 210 21 23 GLY CA C 47.571 0.133 . 211 21 23 GLY N N 111.985 0.038 . 212 22 24 PHE H H 7.602 0.010 . 213 22 24 PHE HA H 4.034 0.002 . 214 22 24 PHE HB2 H 2.507 0.000 . 215 22 24 PHE HB3 H 2.948 0.000 . 216 22 24 PHE HD1 H 7.023 0.013 . 217 22 24 PHE HD2 H 7.023 0.013 . 218 22 24 PHE HE1 H 6.568 0.002 . 219 22 24 PHE HE2 H 6.568 0.002 . 220 22 24 PHE C C 174.789 0.000 . 221 22 24 PHE CA C 59.903 0.083 . 222 22 24 PHE CB C 39.960 0.060 . 223 22 24 PHE N N 116.519 0.021 . 224 23 25 TRP H H 7.821 0.006 . 225 23 25 TRP HA H 4.865 0.016 . 226 23 25 TRP HB2 H 2.731 0.007 . 227 23 25 TRP HB3 H 2.731 0.007 . 228 23 25 TRP HE1 H 10.162 0.002 . 229 23 25 TRP C C 175.284 0.000 . 230 23 25 TRP CA C 53.912 0.029 . 231 23 25 TRP CB C 28.989 0.051 . 232 23 25 TRP N N 128.678 7.632 . 233 23 25 TRP NE1 N 128.477 0.000 . 234 24 26 THR H H 8.514 0.005 . 235 24 26 THR HA H 4.035 0.015 . 236 24 26 THR HB H 4.312 0.006 . 237 24 26 THR HG2 H 1.475 0.010 . 238 24 26 THR C C 178.408 0.000 . 239 24 26 THR CA C 64.835 0.061 . 240 24 26 THR CB C 68.820 0.013 . 241 24 26 THR CG2 C 22.821 0.020 . 242 24 26 THR N N 120.849 0.035 . 243 25 27 GLU H H 9.667 0.020 . 244 25 27 GLU HA H 4.055 0.015 . 245 25 27 GLU HB2 H 2.012 0.050 . 246 25 27 GLU HB3 H 2.012 0.050 . 247 25 27 GLU HG2 H 2.388 0.014 . 248 25 27 GLU HG3 H 2.388 0.014 . 249 25 27 GLU C C 178.570 0.000 . 250 25 27 GLU CA C 59.900 0.037 . 251 25 27 GLU CB C 29.286 0.029 . 252 25 27 GLU N N 120.632 0.059 . 253 26 28 ARG H H 6.681 0.010 . 254 26 28 ARG HA H 4.039 0.004 . 255 26 28 ARG HB2 H 1.261 0.003 . 256 26 28 ARG HB3 H 1.261 0.003 . 257 26 28 ARG C C 176.259 0.000 . 258 26 28 ARG CA C 56.394 0.058 . 259 26 28 ARG CB C 29.925 0.019 . 260 26 28 ARG CD C 42.212 0.000 . 261 26 28 ARG CG C 29.526 0.000 . 262 26 28 ARG N N 115.238 0.051 . 263 27 29 PHE H H 7.525 0.006 . 264 27 29 PHE HA H 4.462 0.032 . 265 27 29 PHE HB2 H 3.553 0.019 . 266 27 29 PHE HB3 H 3.068 0.019 . 267 27 29 PHE HD1 H 6.840 0.021 . 268 27 29 PHE HD2 H 6.840 0.021 . 269 27 29 PHE HE1 H 7.052 0.019 . 270 27 29 PHE HE2 H 7.052 0.019 . 271 27 29 PHE C C 173.130 0.000 . 272 27 29 PHE CA C 59.916 0.108 . 273 27 29 PHE CB C 41.883 0.275 . 274 27 29 PHE N N 119.768 0.064 . 275 28 30 GLN H H 6.695 0.006 . 276 28 30 GLN HA H 4.413 0.009 . 277 28 30 GLN HB2 H 2.708 0.001 . 278 28 30 GLN HB3 H 2.332 0.035 . 279 28 30 GLN HG2 H 2.268 0.110 . 280 28 30 GLN HG3 H 2.268 0.110 . 281 28 30 GLN C C 174.641 0.000 . 282 28 30 GLN CA C 56.086 0.049 . 283 28 30 GLN CB C 32.078 0.010 . 284 28 30 GLN N N 110.167 0.058 . 285 29 31 GLY H H 9.532 0.008 . 286 29 31 GLY HA2 H 4.321 0.040 . 287 29 31 GLY HA3 H 3.572 0.026 . 288 29 31 GLY C C 172.464 0.000 . 289 29 31 GLY CA C 43.593 0.099 . 290 29 31 GLY N N 109.275 0.049 . 291 30 32 ARG H H 8.620 0.003 . 292 30 32 ARG HA H 4.394 0.051 . 293 30 32 ARG HB2 H 2.136 0.000 . 294 30 32 ARG HB3 H 2.136 0.000 . 295 30 32 ARG HD2 H 2.950 0.027 . 296 30 32 ARG HD3 H 2.950 0.027 . 297 30 32 ARG HG2 H 1.414 0.024 . 298 30 32 ARG HG3 H 1.414 0.024 . 299 30 32 ARG C C 175.294 0.000 . 300 30 32 ARG CA C 56.668 0.018 . 301 30 32 ARG CB C 31.141 0.023 . 302 30 32 ARG CG C 26.638 0.000 . 303 30 32 ARG N N 121.082 0.042 . 304 31 33 TRP H H 8.942 0.008 . 305 31 33 TRP HA H 4.647 0.020 . 306 31 33 TRP HB2 H 2.376 0.016 . 307 31 33 TRP HB3 H 2.173 0.011 . 308 31 33 TRP HE1 H 8.424 0.003 . 309 31 33 TRP C C 174.097 0.000 . 310 31 33 TRP CA C 55.181 0.040 . 311 31 33 TRP CB C 32.871 0.034 . 312 31 33 TRP N N 130.259 0.054 . 313 31 33 TRP NE1 N 128.786 0.029 . 314 32 34 PHE H H 9.920 0.005 . 315 32 34 PHE HA H 4.770 0.017 . 316 32 34 PHE HB2 H 2.853 0.017 . 317 32 34 PHE HB3 H 2.853 0.017 . 318 32 34 PHE HD1 H 6.825 0.004 . 319 32 34 PHE HD2 H 6.825 0.004 . 320 32 34 PHE C C 176.658 0.000 . 321 32 34 PHE CA C 58.139 0.081 . 322 32 34 PHE CB C 40.534 0.027 . 323 32 34 PHE N N 119.998 0.061 . 324 33 35 VAL H H 8.791 0.005 . 325 33 35 VAL HA H 4.246 0.041 . 326 33 35 VAL HB H 1.389 0.012 . 327 33 35 VAL HG1 H 0.899 0.009 . 328 33 35 VAL HG2 H 0.528 0.019 . 329 33 35 VAL C C 174.732 0.000 . 330 33 35 VAL CA C 65.009 0.050 . 331 33 35 VAL CG1 C 21.368 0.017 . 332 33 35 VAL CG2 C 21.955 0.062 . 333 33 35 VAL N N 122.201 0.061 . 334 34 36 VAL H H 9.080 0.009 . 335 34 36 VAL HA H 3.882 0.009 . 336 34 36 VAL HB H 1.808 0.021 . 337 34 36 VAL HG1 H 1.049 0.020 . 338 34 36 VAL HG2 H 1.049 0.020 . 339 34 36 VAL C C 176.714 0.000 . 340 34 36 VAL CA C 64.159 0.038 . 341 34 36 VAL CB C 34.369 0.000 . 342 34 36 VAL N N 132.122 0.063 . 343 35 37 GLY H H 8.143 0.005 . 344 35 37 GLY HA2 H 4.906 0.015 . 345 35 37 GLY HA3 H 3.371 0.016 . 346 35 37 GLY C C 169.368 0.000 . 347 35 37 GLY CA C 45.617 0.027 . 348 35 37 GLY N N 106.724 0.046 . 349 36 38 LEU H H 9.333 0.006 . 350 36 38 LEU HA H 5.234 0.015 . 351 36 38 LEU HB2 H 1.483 0.032 . 352 36 38 LEU HB3 H 1.314 0.009 . 353 36 38 LEU HD1 H 0.646 0.008 . 354 36 38 LEU HD2 H 0.491 0.006 . 355 36 38 LEU HG H 1.329 0.013 . 356 36 38 LEU C C 172.890 0.000 . 357 36 38 LEU CA C 55.092 0.072 . 358 36 38 LEU CB C 47.347 0.041 . 359 36 38 LEU CD1 C 24.979 0.019 . 360 36 38 LEU CD2 C 25.862 0.068 . 361 36 38 LEU CG C 27.419 0.112 . 362 36 38 LEU N N 122.882 0.064 . 363 37 39 ALA H H 9.077 0.009 . 364 37 39 ALA HA H 5.890 0.016 . 365 37 39 ALA HB H 1.088 0.013 . 366 37 39 ALA C C 176.031 0.000 . 367 37 39 ALA CA C 49.433 0.067 . 368 37 39 ALA CB C 24.837 0.093 . 369 37 39 ALA N N 125.099 0.049 . 370 38 40 GLY H H 8.101 0.008 . 371 38 40 GLY HA2 H 4.417 0.031 . 372 38 40 GLY HA3 H 3.911 0.022 . 373 38 40 GLY C C 173.076 0.000 . 374 38 40 GLY CA C 47.253 0.093 . 375 38 40 GLY N N 106.794 0.042 . 376 39 41 ASN H H 7.717 0.009 . 377 39 41 ASN HA H 4.044 0.008 . 378 39 41 ASN HB2 H 3.212 0.006 . 379 39 41 ASN HB3 H 3.212 0.006 . 380 39 41 ASN HD21 H 8.295 0.000 . 381 39 41 ASN HD22 H 8.295 0.000 . 382 39 41 ASN C C 175.616 0.000 . 383 39 41 ASN CA C 54.489 0.044 . 384 39 41 ASN CB C 37.465 0.122 . 385 39 41 ASN N N 116.912 0.027 . 386 40 42 ALA H H 9.240 0.007 . 387 40 42 ALA HA H 4.589 0.005 . 388 40 42 ALA HB H 1.399 0.010 . 389 40 42 ALA C C 176.676 0.000 . 390 40 42 ALA CA C 50.994 0.059 . 391 40 42 ALA CB C 18.740 0.179 . 392 40 42 ALA N N 123.727 0.053 . 393 41 43 VAL H H 7.008 0.009 . 394 41 43 VAL HA H 3.886 0.022 . 395 41 43 VAL HB H 2.236 0.015 . 396 41 43 VAL HG1 H 0.628 0.008 . 397 41 43 VAL HG2 H 0.642 0.012 . 398 41 43 VAL C C 174.990 0.000 . 399 41 43 VAL CA C 62.450 0.044 . 400 41 43 VAL CB C 32.482 0.149 . 401 41 43 VAL CG1 C 21.807 0.106 . 402 41 43 VAL CG2 C 20.992 0.025 . 403 41 43 VAL N N 122.711 0.054 . 404 42 44 GLN H H 8.135 0.007 . 405 42 44 GLN HA H 4.937 0.011 . 406 42 44 GLN HB2 H 2.101 0.013 . 407 42 44 GLN HB3 H 2.101 0.013 . 408 42 44 GLN HG2 H 2.245 0.008 . 409 42 44 GLN HG3 H 2.245 0.008 . 410 42 44 GLN C C 176.297 0.000 . 411 42 44 GLN CA C 53.697 0.066 . 412 42 44 GLN CB C 30.875 0.069 . 413 42 44 GLN CG C 33.378 0.104 . 414 42 44 GLN N N 124.901 0.051 . 415 43 45 LYS H H 9.180 0.005 . 416 43 45 LYS HA H 3.846 0.007 . 417 43 45 LYS HB2 H 1.841 0.020 . 418 43 45 LYS HB3 H 1.841 0.020 . 419 43 45 LYS HD2 H 1.869 0.018 . 420 43 45 LYS HE2 H 3.177 0.008 . 421 43 45 LYS HE3 H 3.166 0.019 . 422 43 45 LYS HG2 H 1.505 0.011 . 423 43 45 LYS HG3 H 1.505 0.011 . 424 43 45 LYS C C 177.276 0.000 . 425 43 45 LYS CA C 59.274 0.047 . 426 43 45 LYS CB C 33.054 0.074 . 427 43 45 LYS CD C 29.831 0.000 . 428 43 45 LYS CE C 42.040 0.101 . 429 43 45 LYS CG C 25.246 0.001 . 430 43 45 LYS N N 127.806 0.029 . 431 44 46 GLU H H 9.384 0.005 . 432 44 46 GLU HA H 4.207 0.004 . 433 44 46 GLU HB2 H 2.067 0.030 . 434 44 46 GLU HB3 H 2.067 0.030 . 435 44 46 GLU HG2 H 2.327 0.015 . 436 44 46 GLU HG3 H 2.327 0.015 . 437 44 46 GLU C C 175.313 0.000 . 438 44 46 GLU CA C 58.393 0.030 . 439 44 46 GLU CB C 29.420 0.109 . 440 44 46 GLU CG C 36.459 0.147 . 441 44 46 GLU N N 117.959 0.036 . 442 45 47 ARG H H 7.612 0.007 . 443 45 47 ARG HA H 4.475 0.014 . 444 45 47 ARG HB2 H 1.890 0.013 . 445 45 47 ARG HB3 H 1.981 0.030 . 446 45 47 ARG HD2 H 3.227 0.005 . 447 45 47 ARG HD3 H 3.227 0.005 . 448 45 47 ARG HG2 H 1.632 0.010 . 449 45 47 ARG HG3 H 1.667 0.009 . 450 45 47 ARG C C 176.925 0.000 . 451 45 47 ARG CA C 56.655 0.055 . 452 45 47 ARG CB C 31.793 0.113 . 453 45 47 ARG CD C 43.112 0.104 . 454 45 47 ARG CG C 27.482 0.090 . 455 45 47 ARG N N 116.574 0.046 . 456 46 48 GLN H H 7.894 0.009 . 457 46 48 GLN HA H 4.588 0.007 . 458 46 48 GLN HB2 H 1.872 0.015 . 459 46 48 GLN HB3 H 1.872 0.015 . 460 46 48 GLN HG2 H 2.338 0.037 . 461 46 48 GLN HG3 H 2.247 0.013 . 462 46 48 GLN C C 174.758 0.000 . 463 46 48 GLN CA C 55.884 0.035 . 464 46 48 GLN CB C 30.509 0.127 . 465 46 48 GLN CG C 34.737 0.045 . 466 46 48 GLN N N 117.514 0.020 . 467 47 49 SER H H 8.135 0.003 . 468 47 49 SER HA H 4.475 0.015 . 469 47 49 SER HB2 H 4.071 0.020 . 470 47 49 SER HB3 H 4.033 0.026 . 471 47 49 SER C C 174.735 0.000 . 472 47 49 SER CA C 59.574 0.079 . 473 47 49 SER CB C 63.603 0.031 . 474 47 49 SER N N 116.209 0.059 . 475 48 50 ARG H H 8.443 0.006 . 476 48 50 ARG HA H 4.415 0.026 . 477 48 50 ARG HB2 H 1.923 0.047 . 478 48 50 ARG HB3 H 1.923 0.047 . 479 48 50 ARG HD2 H 3.227 0.020 . 480 48 50 ARG HD3 H 3.227 0.020 . 481 48 50 ARG HG2 H 1.687 0.019 . 482 48 50 ARG HG3 H 1.632 0.014 . 483 48 50 ARG C C 174.874 0.000 . 484 48 50 ARG CA C 56.435 0.073 . 485 48 50 ARG CB C 30.011 0.009 . 486 48 50 ARG CD C 43.504 0.134 . 487 48 50 ARG CG C 27.415 0.042 . 488 48 50 ARG N N 120.660 0.014 . 489 49 51 PHE H H 7.890 0.009 . 490 49 51 PHE HA H 4.813 0.012 . 491 49 51 PHE HB2 H 3.220 0.021 . 492 49 51 PHE HB3 H 3.181 0.007 . 493 49 51 PHE HD1 H 7.265 0.016 . 494 49 51 PHE HD2 H 7.265 0.016 . 495 49 51 PHE C C 174.083 0.000 . 496 49 51 PHE CA C 55.905 0.066 . 497 49 51 PHE CB C 39.220 0.087 . 498 49 51 PHE N N 119.920 0.023 . 499 50 52 THR H H 8.830 0.004 . 500 50 52 THR HA H 4.078 0.025 . 501 50 52 THR HB H 4.299 0.037 . 502 50 52 THR HG2 H 1.526 0.025 . 503 50 52 THR C C 173.509 0.000 . 504 50 52 THR CA C 64.371 0.030 . 505 50 52 THR CB C 68.810 0.068 . 506 50 52 THR CG2 C 22.677 0.061 . 507 50 52 THR N N 122.317 0.041 . 508 51 53 MET H H 8.501 0.007 . 509 51 53 MET HA H 3.601 0.009 . 510 51 53 MET HB2 H 1.833 0.015 . 511 51 53 MET HB3 H 1.833 0.015 . 512 51 53 MET HE H 2.123 0.010 . 513 51 53 MET HG2 H 2.351 0.000 . 514 51 53 MET HG3 H 2.351 0.000 . 515 51 53 MET C C 173.074 0.000 . 516 51 53 MET CA C 58.855 0.029 . 517 51 53 MET CB C 33.222 0.000 . 518 51 53 MET N N 127.110 0.064 . 519 52 54 TYR H H 6.581 0.009 . 520 52 54 TYR HA H 5.509 0.017 . 521 52 54 TYR HB2 H 3.374 0.013 . 522 52 54 TYR HB3 H 3.994 0.020 . 523 52 54 TYR HD1 H 7.184 0.012 . 524 52 54 TYR HD2 H 7.184 0.012 . 525 52 54 TYR C C 173.133 0.000 . 526 52 54 TYR CA C 54.355 0.022 . 527 52 54 TYR CB C 41.144 0.112 . 528 52 54 TYR N N 118.097 0.029 . 529 53 55 SER H H 8.649 0.012 . 530 53 55 SER HA H 5.466 0.014 . 531 53 55 SER HB2 H 3.586 0.011 . 532 53 55 SER HB3 H 3.924 0.002 . 533 53 55 SER C C 173.229 0.000 . 534 53 55 SER CA C 55.410 0.038 . 535 53 55 SER CB C 67.620 0.012 . 536 53 55 SER N N 114.743 0.047 . 537 54 56 THR H H 9.144 0.016 . 538 54 56 THR HA H 5.272 0.010 . 539 54 56 THR HB H 3.578 0.019 . 540 54 56 THR HG2 H 0.923 0.013 . 541 54 56 THR C C 172.357 0.000 . 542 54 56 THR CA C 61.255 0.033 . 543 54 56 THR CB C 72.581 0.003 . 544 54 56 THR CG2 C 24.560 0.083 . 545 54 56 THR N N 115.527 0.029 . 546 55 57 ILE H H 9.423 0.007 . 547 55 57 ILE HA H 4.593 0.017 . 548 55 57 ILE HB H 1.770 0.010 . 549 55 57 ILE HD1 H 0.771 0.006 . 550 55 57 ILE HG12 H 1.396 0.006 . 551 55 57 ILE HG2 H 0.717 0.020 . 552 55 57 ILE C C 175.240 0.000 . 553 55 57 ILE CA C 59.932 0.191 . 554 55 57 ILE CB C 40.046 0.000 . 555 55 57 ILE CD1 C 13.803 0.016 . 556 55 57 ILE CG2 C 20.939 8.482 . 557 55 57 ILE N N 126.762 0.048 . 558 56 58 TYR H H 8.945 0.009 . 559 56 58 TYR HA H 4.434 0.029 . 560 56 58 TYR HB2 H 3.017 0.025 . 561 56 58 TYR HB3 H 2.324 0.028 . 562 56 58 TYR HD1 H 6.353 0.019 . 563 56 58 TYR HD2 H 6.353 0.019 . 564 56 58 TYR C C 175.936 0.000 . 565 56 58 TYR CA C 57.480 0.063 . 566 56 58 TYR CB C 39.407 0.139 . 567 56 58 TYR N N 128.405 0.056 . 568 57 59 GLU H H 8.974 0.006 . 569 57 59 GLU HA H 5.070 0.012 . 570 57 59 GLU HB2 H 2.098 0.018 . 571 57 59 GLU HB3 H 2.252 0.030 . 572 57 59 GLU C C 176.039 0.000 . 573 57 59 GLU CA C 55.412 0.026 . 574 57 59 GLU CB C 32.113 0.035 . 575 57 59 GLU N N 124.818 0.176 . 576 58 60 LEU H H 9.242 0.004 . 577 58 60 LEU HA H 4.406 0.005 . 578 58 60 LEU HB2 H 1.925 0.015 . 579 58 60 LEU HB3 H 2.254 0.011 . 580 58 60 LEU HD1 H 0.657 0.007 . 581 58 60 LEU HD2 H 0.867 0.006 . 582 58 60 LEU HG H 1.269 0.011 . 583 58 60 LEU C C 175.975 0.000 . 584 58 60 LEU CA C 56.091 0.076 . 585 58 60 LEU CB C 43.880 0.186 . 586 58 60 LEU CD1 C 23.254 0.020 . 587 58 60 LEU CD2 C 26.845 0.053 . 588 58 60 LEU N N 133.154 0.044 . 589 59 61 GLN H H 8.984 0.017 . 590 59 61 GLN HA H 4.628 0.010 . 591 59 61 GLN HB2 H 2.058 0.012 . 592 59 61 GLN HG2 H 2.224 0.004 . 593 59 61 GLN HG3 H 2.224 0.004 . 594 59 61 GLN C C 177.825 0.000 . 595 59 61 GLN CA C 53.665 0.052 . 596 59 61 GLN CB C 30.902 0.030 . 597 59 61 GLN N N 125.210 0.054 . 598 60 62 GLU H H 8.907 0.005 . 599 60 62 GLU HA H 4.044 0.008 . 600 60 62 GLU HB2 H 2.070 0.012 . 601 60 62 GLU HB3 H 2.070 0.012 . 602 60 62 GLU HG2 H 2.345 0.009 . 603 60 62 GLU HG3 H 2.345 0.009 . 604 60 62 GLU C C 176.060 0.000 . 605 60 62 GLU CA C 53.861 11.884 . 606 60 62 GLU CB C 29.472 0.145 . 607 60 62 GLU CG C 36.306 0.050 . 608 60 62 GLU N N 121.303 0.044 . 609 61 63 ASP H H 7.817 0.007 . 610 61 63 ASP HA H 4.539 0.008 . 611 61 63 ASP HB2 H 2.546 0.008 . 612 61 63 ASP HB3 H 3.109 0.015 . 613 61 63 ASP C C 176.763 0.000 . 614 61 63 ASP CA C 53.092 0.058 . 615 61 63 ASP CB C 39.668 0.087 . 616 61 63 ASP N N 116.500 0.045 . 617 62 64 ASN H H 8.152 0.004 . 618 62 64 ASN HA H 4.330 0.013 . 619 62 64 ASN HB2 H 3.316 0.009 . 620 62 64 ASN HB3 H 3.156 0.011 . 621 62 64 ASN C C 173.394 0.000 . 622 62 64 ASN CA C 55.525 0.073 . 623 62 64 ASN CB C 37.008 0.085 . 624 62 64 ASN N N 111.860 0.050 . 625 63 65 SER H H 7.887 0.007 . 626 63 65 SER HA H 4.863 0.022 . 627 63 65 SER HB2 H 4.086 0.025 . 628 63 65 SER HB3 H 4.086 0.025 . 629 63 65 SER C C 173.046 0.000 . 630 63 65 SER CA C 58.324 0.050 . 631 63 65 SER CB C 65.161 0.044 . 632 63 65 SER N N 111.620 0.039 . 633 64 66 TYR H H 9.046 0.010 . 634 64 66 TYR HA H 5.586 0.020 . 635 64 66 TYR HB2 H 2.392 0.016 . 636 64 66 TYR HB3 H 2.978 0.009 . 637 64 66 TYR HD1 H 6.747 0.023 . 638 64 66 TYR HD2 H 6.747 0.023 . 639 64 66 TYR HE1 H 6.871 0.033 . 640 64 66 TYR HE2 H 6.871 0.033 . 641 64 66 TYR C C 176.467 0.000 . 642 64 66 TYR CA C 56.689 0.027 . 643 64 66 TYR CB C 42.564 0.103 . 644 64 66 TYR N N 114.005 0.046 . 645 65 67 ASN H H 9.112 0.011 . 646 65 67 ASN HA H 5.015 0.015 . 647 65 67 ASN HB2 H 2.680 0.020 . 648 65 67 ASN HB3 H 2.680 0.020 . 649 65 67 ASN C C 174.739 0.000 . 650 65 67 ASN CA C 53.289 0.046 . 651 65 67 ASN CB C 39.238 0.137 . 652 65 67 ASN N N 121.800 0.093 . 653 66 68 VAL H H 9.149 0.006 . 654 66 68 VAL HA H 4.525 0.017 . 655 66 68 VAL HB H 0.977 0.013 . 656 66 68 VAL HG1 H -0.241 0.005 . 657 66 68 VAL HG2 H -0.421 0.008 . 658 66 68 VAL C C 175.421 0.000 . 659 66 68 VAL CA C 61.276 0.051 . 660 66 68 VAL CB C 32.364 0.199 . 661 66 68 VAL CG1 C 20.329 0.010 . 662 66 68 VAL CG2 C 20.624 0.013 . 663 66 68 VAL N N 130.368 0.038 . 664 67 69 THR H H 8.722 0.009 . 665 67 69 THR HA H 4.940 0.032 . 666 67 69 THR HB H 3.898 0.033 . 667 67 69 THR HG2 H 1.063 0.020 . 668 67 69 THR C C 174.824 0.000 . 669 67 69 THR CA C 61.771 0.105 . 670 67 69 THR CB C 70.206 0.042 . 671 67 69 THR CG2 C 20.865 0.026 . 672 67 69 THR N N 125.838 0.027 . 673 68 70 SER H H 9.393 0.012 . 674 68 70 SER HA H 4.550 0.014 . 675 68 70 SER HB2 H 3.968 0.012 . 676 68 70 SER HB3 H 3.968 0.012 . 677 68 70 SER C C 174.985 0.000 . 678 68 70 SER CA C 57.852 0.188 . 679 68 70 SER CB C 64.655 0.053 . 680 68 70 SER N N 124.106 0.054 . 681 69 71 ILE H H 8.946 0.008 . 682 69 71 ILE HA H 4.491 0.022 . 683 69 71 ILE HB H 1.927 0.012 . 684 69 71 ILE HD1 H 0.788 0.009 . 685 69 71 ILE HG12 H 1.216 0.026 . 686 69 71 ILE HG2 H 0.590 0.005 . 687 69 71 ILE C C 174.060 0.000 . 688 69 71 ILE CA C 61.472 0.038 . 689 69 71 ILE CB C 38.806 0.065 . 690 69 71 ILE CD1 C 14.608 0.035 . 691 69 71 ILE CG2 C 18.481 0.040 . 692 69 71 ILE N N 125.407 0.067 . 693 70 72 LEU H H 8.703 0.006 . 694 70 72 LEU HA H 5.054 0.013 . 695 70 72 LEU HB2 H 1.373 0.019 . 696 70 72 LEU HB3 H 1.513 0.003 . 697 70 72 LEU HD1 H 0.535 0.011 . 698 70 72 LEU HD2 H 0.351 0.008 . 699 70 72 LEU C C 176.444 0.000 . 700 70 72 LEU CA C 53.349 0.035 . 701 70 72 LEU CB C 45.148 0.002 . 702 70 72 LEU CD1 C 25.832 0.074 . 703 70 72 LEU CD2 C 25.568 0.013 . 704 70 72 LEU N N 124.139 0.040 . 705 71 73 VAL H H 9.086 0.007 . 706 71 73 VAL HA H 4.266 0.014 . 707 71 73 VAL HB H 2.038 0.023 . 708 71 73 VAL HG1 H 1.008 0.011 . 709 71 73 VAL HG2 H 1.002 0.006 . 710 71 73 VAL C C 176.818 0.000 . 711 71 73 VAL CA C 63.333 0.019 . 712 71 73 VAL CB C 32.532 0.187 . 713 71 73 VAL CG1 C 21.517 0.001 . 714 71 73 VAL CG2 C 23.331 0.016 . 715 71 73 VAL N N 121.412 0.042 . 716 72 74 ARG H H 8.244 0.010 . 717 72 74 ARG HA H 4.496 0.012 . 718 72 74 ARG HB2 H 1.556 0.022 . 719 72 74 ARG HB3 H 1.556 0.022 . 720 72 74 ARG HD2 H 3.109 0.009 . 721 72 74 ARG HD3 H 3.109 0.009 . 722 72 74 ARG HG2 H 1.548 0.009 . 723 72 74 ARG HG3 H 1.365 0.008 . 724 72 74 ARG C C 174.972 0.000 . 725 72 74 ARG CA C 54.689 0.095 . 726 72 74 ARG CB C 31.655 0.119 . 727 72 74 ARG CD C 43.433 0.104 . 728 72 74 ARG CG C 26.793 0.067 . 729 72 74 ARG N N 129.148 0.049 . 730 73 75 GLY H H 9.070 0.017 . 731 73 75 GLY HA2 H 3.954 0.014 . 732 73 75 GLY HA3 H 3.682 0.009 . 733 73 75 GLY C C 175.037 0.000 . 734 73 75 GLY CA C 47.131 0.125 . 735 73 75 GLY N N 117.972 0.064 . 736 74 76 GLN H H 8.929 0.039 . 737 74 76 GLN HA H 4.414 0.006 . 738 74 76 GLN HB2 H 2.356 0.022 . 739 74 76 GLN HB3 H 1.964 0.011 . 740 74 76 GLN HE21 H 6.856 0.004 . 741 74 76 GLN HE22 H 7.527 0.000 . 742 74 76 GLN HG2 H 2.399 0.019 . 743 74 76 GLN HG3 H 2.399 0.019 . 744 74 76 GLN C C 175.515 0.000 . 745 74 76 GLN CA C 55.986 0.034 . 746 74 76 GLN CB C 28.883 0.095 . 747 74 76 GLN CG C 34.369 0.125 . 748 74 76 GLN N N 125.289 0.033 . 749 74 76 GLN NE2 N 112.506 0.004 . 750 75 77 GLY H H 8.034 0.009 . 751 75 77 GLY HA2 H 4.567 0.012 . 752 75 77 GLY HA3 H 3.853 0.006 . 753 75 77 GLY C C 175.136 0.000 . 754 75 77 GLY CA C 44.265 0.096 . 755 75 77 GLY N N 109.565 0.028 . 756 76 78 CYS H H 8.392 0.006 . 757 76 78 CYS HA H 5.463 0.011 . 758 76 78 CYS HB2 H 2.584 0.011 . 759 76 78 CYS HB3 H 2.584 0.011 . 760 76 78 CYS C C 173.481 0.000 . 761 76 78 CYS CA C 52.962 0.119 . 762 76 78 CYS CB C 42.456 0.106 . 763 76 78 CYS N N 118.208 0.068 . 764 77 79 ARG H H 9.436 0.015 . 765 77 79 ARG HA H 4.621 0.012 . 766 77 79 ARG HB2 H 1.574 0.012 . 767 77 79 ARG HB3 H 1.554 0.016 . 768 77 79 ARG HD2 H 3.066 0.016 . 769 77 79 ARG HD3 H 3.066 0.016 . 770 77 79 ARG HG2 H 1.350 0.004 . 771 77 79 ARG HG3 H 1.350 0.004 . 772 77 79 ARG C C 172.731 0.000 . 773 77 79 ARG CA C 54.281 0.035 . 774 77 79 ARG CB C 33.567 0.072 . 775 77 79 ARG CD C 43.412 0.056 . 776 77 79 ARG N N 124.271 0.051 . 777 78 80 TYR H H 8.553 0.010 . 778 78 80 TYR HA H 5.399 0.024 . 779 78 80 TYR HB2 H 2.866 0.017 . 780 78 80 TYR HB3 H 2.641 0.010 . 781 78 80 TYR HD1 H 6.944 0.012 . 782 78 80 TYR HD2 H 6.944 0.012 . 783 78 80 TYR HE1 H 6.640 0.001 . 784 78 80 TYR HE2 H 6.640 0.001 . 785 78 80 TYR C C 175.596 0.000 . 786 78 80 TYR CA C 56.261 0.040 . 787 78 80 TYR CB C 40.409 0.040 . 788 78 80 TYR N N 121.709 0.053 . 789 79 81 TRP H H 9.113 0.006 . 790 79 81 TRP HA H 5.255 0.013 . 791 79 81 TRP HB2 H 2.867 0.013 . 792 79 81 TRP HB3 H 3.134 0.034 . 793 79 81 TRP C C 174.774 0.000 . 794 79 81 TRP CA C 55.139 0.026 . 795 79 81 TRP CB C 32.107 0.000 . 796 79 81 TRP N N 126.039 0.028 . 797 80 82 ILE H H 8.940 0.008 . 798 80 82 ILE HA H 5.010 0.011 . 799 80 82 ILE HB H 1.641 0.009 . 800 80 82 ILE HD1 H 0.807 0.022 . 801 80 82 ILE HG12 H 1.440 0.011 . 802 80 82 ILE HG13 H 1.216 0.004 . 803 80 82 ILE HG2 H 0.753 0.028 . 804 80 82 ILE C C 175.093 0.000 . 805 80 82 ILE CA C 60.795 0.101 . 806 80 82 ILE CB C 40.303 0.079 . 807 80 82 ILE CD1 C 13.832 0.027 . 808 80 82 ILE CG1 C 27.875 0.171 . 809 80 82 ILE CG2 C 17.337 0.012 . 810 80 82 ILE N N 129.534 0.062 . 811 81 83 ARG H H 8.709 0.011 . 812 81 83 ARG HA H 4.542 0.004 . 813 81 83 ARG HB2 H 1.573 0.016 . 814 81 83 ARG HB3 H 1.573 0.016 . 815 81 83 ARG HG2 H 1.354 0.013 . 816 81 83 ARG HG3 H 1.354 0.013 . 817 81 83 ARG C C 173.270 0.000 . 818 81 83 ARG CA C 54.537 0.111 . 819 81 83 ARG CB C 34.639 0.074 . 820 81 83 ARG N N 126.527 0.059 . 821 82 84 THR H H 8.386 0.006 . 822 82 84 THR HA H 5.302 0.009 . 823 82 84 THR HB H 3.914 0.008 . 824 82 84 THR HG2 H 1.271 0.008 . 825 82 84 THR C C 174.172 0.000 . 826 82 84 THR CA C 61.117 0.021 . 827 82 84 THR CB C 71.140 0.035 . 828 82 84 THR CG2 C 22.055 0.061 . 829 82 84 THR N N 115.268 0.066 . 830 83 85 PHE H H 9.363 0.010 . 831 83 85 PHE HA H 5.977 0.019 . 832 83 85 PHE HB2 H 3.119 0.020 . 833 83 85 PHE HB3 H 3.119 0.020 . 834 83 85 PHE HD1 H 6.946 0.005 . 835 83 85 PHE HD2 H 6.946 0.005 . 836 83 85 PHE HE1 H 7.414 0.003 . 837 83 85 PHE HE2 H 7.414 0.003 . 838 83 85 PHE C C 174.698 0.000 . 839 83 85 PHE CA C 52.415 0.023 . 840 83 85 PHE CB C 39.590 0.000 . 841 83 85 PHE N N 126.204 0.042 . 842 84 86 VAL H H 9.489 0.006 . 843 84 86 VAL HA H 4.883 0.029 . 844 84 86 VAL HB H 2.245 0.012 . 845 84 86 VAL HG1 H 1.017 0.022 . 846 84 86 VAL HG2 H 1.101 0.041 . 847 84 86 VAL CA C 58.646 0.010 . 848 84 86 VAL CB C 33.349 0.142 . 849 84 86 VAL CG1 C 20.440 0.023 . 850 84 86 VAL CG2 C 21.125 0.011 . 851 84 86 VAL N N 122.375 0.045 . 852 85 87 PRO HA H 4.311 0.010 . 853 85 87 PRO HB2 H 2.385 0.009 . 854 85 87 PRO HB3 H 2.064 0.026 . 855 85 87 PRO HD2 H 3.934 0.020 . 856 85 87 PRO HD3 H 3.934 0.020 . 857 85 87 PRO C C 176.882 0.000 . 858 85 87 PRO CA C 64.014 0.037 . 859 85 87 PRO CB C 32.588 0.073 . 860 85 87 PRO CD C 51.476 0.000 . 861 86 88 SER H H 7.953 0.008 . 862 86 88 SER HA H 4.741 0.012 . 863 86 88 SER HB2 H 3.675 0.022 . 864 86 88 SER HB3 H 3.675 0.022 . 865 86 88 SER C C 175.564 0.000 . 866 86 88 SER CA C 54.857 0.139 . 867 86 88 SER CB C 63.229 0.082 . 868 86 88 SER N N 118.741 0.054 . 869 87 89 SER H H 8.352 0.004 . 870 87 89 SER HA H 4.118 0.009 . 871 87 89 SER HB2 H 3.936 0.010 . 872 87 89 SER HB3 H 3.936 0.010 . 873 87 89 SER C C 173.999 0.000 . 874 87 89 SER CA C 61.718 0.025 . 875 87 89 SER CB C 63.230 0.011 . 876 87 89 SER N N 116.214 0.058 . 877 88 90 ARG H H 7.658 0.007 . 878 88 90 ARG HA H 4.834 0.000 . 879 88 90 ARG HB2 H 1.512 0.000 . 880 88 90 ARG HB3 H 1.512 0.000 . 881 88 90 ARG HD2 H 3.024 0.000 . 882 88 90 ARG HD3 H 3.024 0.000 . 883 88 90 ARG HG2 H 1.333 0.009 . 884 88 90 ARG HG3 H 1.333 0.009 . 885 88 90 ARG CA C 52.905 0.000 . 886 88 90 ARG CB C 31.862 0.000 . 887 88 90 ARG N N 119.481 0.025 . 888 89 91 PRO HA H 4.379 0.035 . 889 89 91 PRO HB2 H 2.078 0.012 . 890 89 91 PRO HB3 H 2.542 0.005 . 891 89 91 PRO HG2 H 2.107 0.000 . 892 89 91 PRO HG3 H 2.016 0.000 . 893 89 91 PRO C C 176.880 0.000 . 894 89 91 PRO CA C 63.319 0.041 . 895 89 91 PRO CB C 31.983 0.130 . 896 89 91 PRO CG C 27.771 0.215 . 897 90 92 GLY H H 8.356 0.003 . 898 90 92 GLY HA2 H 3.692 0.008 . 899 90 92 GLY HA3 H 1.793 0.009 . 900 90 92 GLY C C 171.260 0.000 . 901 90 92 GLY CA C 44.245 0.063 . 902 90 92 GLY N N 113.201 0.061 . 903 91 93 GLN H H 7.725 0.003 . 904 91 93 GLN HA H 5.155 0.017 . 905 91 93 GLN HB2 H 1.910 0.011 . 906 91 93 GLN HB3 H 1.910 0.011 . 907 91 93 GLN HG2 H 2.243 0.012 . 908 91 93 GLN HG3 H 2.243 0.012 . 909 91 93 GLN C C 176.016 0.000 . 910 91 93 GLN CA C 53.776 0.101 . 911 91 93 GLN CB C 31.957 0.150 . 912 91 93 GLN CG C 34.391 0.160 . 913 91 93 GLN N N 119.679 0.042 . 914 92 94 PHE H H 9.543 0.012 . 915 92 94 PHE HA H 5.473 0.020 . 916 92 94 PHE HB2 H 3.225 0.016 . 917 92 94 PHE HB3 H 2.389 0.007 . 918 92 94 PHE HD1 H 6.773 0.004 . 919 92 94 PHE HD2 H 6.773 0.004 . 920 92 94 PHE HE1 H 7.062 0.012 . 921 92 94 PHE HE2 H 7.062 0.012 . 922 92 94 PHE C C 175.304 0.000 . 923 92 94 PHE CA C 56.320 0.037 . 924 92 94 PHE CB C 44.038 0.050 . 925 92 94 PHE N N 121.696 0.050 . 926 93 95 THR H H 9.446 0.008 . 927 93 95 THR HA H 5.385 0.016 . 928 93 95 THR HB H 4.492 0.010 . 929 93 95 THR HG2 H 1.323 0.010 . 930 93 95 THR C C 173.787 0.000 . 931 93 95 THR CA C 59.873 0.074 . 932 93 95 THR CB C 71.344 0.008 . 933 93 95 THR CG2 C 20.572 0.007 . 934 93 95 THR N N 114.497 0.027 . 935 94 96 LEU H H 7.767 0.006 . 936 94 96 LEU HA H 4.835 0.024 . 937 94 96 LEU HB2 H 1.215 0.000 . 938 94 96 LEU HB3 H 1.615 0.006 . 939 94 96 LEU HD1 H 0.638 0.012 . 940 94 96 LEU HD2 H 0.117 0.010 . 941 94 96 LEU HG H 1.839 0.000 . 942 94 96 LEU C C 177.089 0.000 . 943 94 96 LEU CA C 54.920 0.020 . 944 94 96 LEU CB C 43.736 0.097 . 945 94 96 LEU CD1 C 26.058 0.088 . 946 94 96 LEU CD2 C 25.491 0.027 . 947 94 96 LEU N N 123.267 0.035 . 948 95 97 GLY H H 9.435 0.007 . 949 95 97 GLY HA2 H 4.181 0.009 . 950 95 97 GLY HA3 H 3.624 0.013 . 951 95 97 GLY C C 174.035 0.000 . 952 95 97 GLY CA C 45.778 0.100 . 953 95 97 GLY N N 115.259 0.048 . 954 96 98 ASN H H 8.928 0.007 . 955 96 98 ASN HA H 4.651 0.011 . 956 96 98 ASN HB2 H 3.020 0.030 . 957 96 98 ASN HB3 H 2.916 0.013 . 958 96 98 ASN HD21 H 7.650 0.000 . 959 96 98 ASN C C 176.968 0.000 . 960 96 98 ASN CA C 53.584 0.060 . 961 96 98 ASN CB C 36.838 0.116 . 962 96 98 ASN N N 118.607 0.068 . 963 96 98 ASN ND2 N 112.596 0.000 . 964 97 99 ILE H H 7.680 0.004 . 965 97 99 ILE HA H 3.995 0.019 . 966 97 99 ILE HB H 2.057 0.010 . 967 97 99 ILE HD1 H 0.959 0.013 . 968 97 99 ILE HG12 H 1.458 0.014 . 969 97 99 ILE HG13 H 1.458 0.014 . 970 97 99 ILE HG2 H 0.922 0.015 . 971 97 99 ILE C C 176.753 0.000 . 972 97 99 ILE CA C 65.064 0.050 . 973 97 99 ILE CB C 38.556 0.028 . 974 97 99 ILE CD1 C 14.726 0.027 . 975 97 99 ILE CG1 C 29.797 0.000 . 976 97 99 ILE CG2 C 16.059 0.006 . 977 97 99 ILE N N 118.766 0.063 . 978 98 100 HIS H H 8.471 0.008 . 979 98 100 HIS HA H 4.544 0.009 . 980 98 100 HIS HB2 H 3.288 0.008 . 981 98 100 HIS HB3 H 3.288 0.008 . 982 98 100 HIS C C 176.004 0.000 . 983 98 100 HIS CA C 57.712 0.042 . 984 98 100 HIS CB C 28.632 0.091 . 985 98 100 HIS N N 119.007 0.032 . 986 99 101 SER H H 8.127 0.004 . 987 99 101 SER HA H 4.291 0.005 . 988 99 101 SER HB2 H 3.655 0.009 . 989 99 101 SER HB3 H 3.718 0.066 . 990 99 101 SER C C 172.472 0.000 . 991 99 101 SER CA C 59.438 0.072 . 992 99 101 SER CB C 63.238 0.123 . 993 99 101 SER N N 115.156 0.053 . 994 100 102 TYR H H 7.763 0.008 . 995 100 102 TYR HA H 4.994 0.008 . 996 100 102 TYR HB2 H 3.138 0.015 . 997 100 102 TYR HB3 H 2.931 0.011 . 998 100 102 TYR HD1 H 7.189 0.004 . 999 100 102 TYR HD2 H 7.189 0.004 . 1000 100 102 TYR HE1 H 6.862 0.018 . 1001 100 102 TYR HE2 H 6.862 0.018 . 1002 100 102 TYR CA C 54.919 0.035 . 1003 100 102 TYR CB C 38.232 0.000 . 1004 100 102 TYR N N 121.727 0.039 . 1005 101 103 PRO HA H 4.449 0.010 . 1006 101 103 PRO HB2 H 2.412 0.019 . 1007 101 103 PRO HB3 H 2.023 0.019 . 1008 101 103 PRO HD2 H 3.836 0.016 . 1009 101 103 PRO HD3 H 3.663 0.013 . 1010 101 103 PRO HG2 H 2.035 0.007 . 1011 101 103 PRO HG3 H 2.035 0.007 . 1012 101 103 PRO C C 177.734 0.000 . 1013 101 103 PRO CA C 64.596 0.011 . 1014 101 103 PRO CB C 32.087 0.079 . 1015 101 103 PRO CD C 50.631 0.015 . 1016 101 103 PRO CG C 27.563 0.000 . 1017 102 104 GLN H H 8.851 0.004 . 1018 102 104 GLN HA H 4.434 0.017 . 1019 102 104 GLN HB2 H 2.217 0.045 . 1020 102 104 GLN HB3 H 2.217 0.045 . 1021 102 104 GLN HG2 H 2.395 0.052 . 1022 102 104 GLN HG3 H 2.395 0.052 . 1023 102 104 GLN C C 175.961 0.000 . 1024 102 104 GLN CA C 56.587 0.093 . 1025 102 104 GLN CB C 28.326 0.108 . 1026 102 104 GLN CG C 34.222 0.062 . 1027 102 104 GLN N N 115.110 0.019 . 1028 103 105 ILE H H 8.151 0.005 . 1029 103 105 ILE HA H 4.436 0.015 . 1030 103 105 ILE HB H 2.181 0.018 . 1031 103 105 ILE HD1 H 0.783 0.006 . 1032 103 105 ILE HG12 H 1.665 0.017 . 1033 103 105 ILE HG2 H 1.044 0.013 . 1034 103 105 ILE C C 173.416 0.000 . 1035 103 105 ILE CA C 61.576 0.048 . 1036 103 105 ILE CB C 38.592 0.086 . 1037 103 105 ILE CD1 C 12.713 0.021 . 1038 103 105 ILE CG2 C 19.333 0.000 . 1039 103 105 ILE N N 121.399 0.054 . 1040 104 106 GLN H H 8.942 0.014 . 1041 104 106 GLN HA H 4.489 0.026 . 1042 104 106 GLN HB2 H 2.175 0.034 . 1043 104 106 GLN HB3 H 2.175 0.034 . 1044 104 106 GLN HG2 H 2.376 0.021 . 1045 104 106 GLN HG3 H 2.484 0.023 . 1046 104 106 GLN C C 176.710 0.000 . 1047 104 106 GLN CA C 57.626 0.036 . 1048 104 106 GLN CB C 30.518 0.041 . 1049 104 106 GLN CG C 35.822 0.148 . 1050 104 106 GLN N N 125.349 0.081 . 1051 105 107 SER H H 7.898 0.004 . 1052 105 107 SER HA H 4.558 0.013 . 1053 105 107 SER HB2 H 3.968 0.015 . 1054 105 107 SER HB3 H 3.968 0.015 . 1055 105 107 SER C C 172.121 0.000 . 1056 105 107 SER CA C 58.115 0.029 . 1057 105 107 SER CB C 64.696 0.090 . 1058 105 107 SER N N 112.288 0.028 . 1059 106 108 TYR H H 8.947 0.016 . 1060 106 108 TYR HA H 5.250 0.067 . 1061 106 108 TYR HB2 H 2.754 0.029 . 1062 106 108 TYR HB3 H 3.209 0.018 . 1063 106 108 TYR HD1 H 6.843 0.016 . 1064 106 108 TYR HD2 H 6.843 0.016 . 1065 106 108 TYR HE1 H 7.189 0.007 . 1066 106 108 TYR HE2 H 7.189 0.007 . 1067 106 108 TYR C C 173.390 0.000 . 1068 106 108 TYR CA C 58.380 0.035 . 1069 106 108 TYR CB C 42.064 0.004 . 1070 106 108 TYR N N 125.485 0.134 . 1071 107 109 ASP H H 9.032 0.010 . 1072 107 109 ASP HA H 5.542 0.015 . 1073 107 109 ASP HB2 H 2.720 0.002 . 1074 107 109 ASP HB3 H 2.720 0.002 . 1075 107 109 ASP C C 175.132 0.000 . 1076 107 109 ASP CA C 53.856 0.013 . 1077 107 109 ASP CB C 46.516 0.036 . 1078 107 109 ASP N N 127.128 0.043 . 1079 108 110 VAL H H 8.440 0.010 . 1080 108 110 VAL HA H 4.675 0.035 . 1081 108 110 VAL HB H 1.445 0.017 . 1082 108 110 VAL HG1 H 0.210 0.007 . 1083 108 110 VAL C C 175.525 0.000 . 1084 108 110 VAL CA C 60.118 0.043 . 1085 108 110 VAL CB C 35.815 0.084 . 1086 108 110 VAL CG1 C 19.878 0.067 . 1087 108 110 VAL N N 119.669 0.100 . 1088 109 111 GLN H H 9.686 0.007 . 1089 109 111 GLN HA H 5.179 0.014 . 1090 109 111 GLN HB2 H 1.814 0.017 . 1091 109 111 GLN HB3 H 1.814 0.017 . 1092 109 111 GLN HG2 H 2.037 0.015 . 1093 109 111 GLN HG3 H 2.037 0.015 . 1094 109 111 GLN C C 174.210 0.000 . 1095 109 111 GLN CA C 55.421 0.027 . 1096 109 111 GLN CB C 34.198 0.045 . 1097 109 111 GLN N N 126.549 0.058 . 1098 110 112 VAL H H 8.599 0.007 . 1099 110 112 VAL HA H 3.640 0.013 . 1100 110 112 VAL HB H 1.511 0.009 . 1101 110 112 VAL HG1 H 0.544 0.014 . 1102 110 112 VAL HG2 H 0.194 0.008 . 1103 110 112 VAL C C 173.019 0.000 . 1104 110 112 VAL CA C 64.020 0.061 . 1105 110 112 VAL CB C 30.412 0.092 . 1106 110 112 VAL CG1 C 20.676 0.017 . 1107 110 112 VAL CG2 C 19.590 0.020 . 1108 110 112 VAL N N 127.864 0.030 . 1109 111 113 ALA H H 8.055 0.007 . 1110 111 113 ALA HA H 4.597 0.013 . 1111 111 113 ALA HB H 1.128 0.015 . 1112 111 113 ALA C C 176.237 0.000 . 1113 111 113 ALA CA C 53.482 0.014 . 1114 111 113 ALA CB C 21.090 0.240 . 1115 111 113 ALA N N 131.302 7.320 . 1116 112 114 ASP H H 6.915 0.006 . 1117 112 114 ASP HA H 5.018 0.008 . 1118 112 114 ASP HB2 H 2.343 0.018 . 1119 112 114 ASP HB3 H 2.590 0.000 . 1120 112 114 ASP C C 174.744 0.000 . 1121 112 114 ASP CA C 53.412 0.033 . 1122 112 114 ASP CB C 43.368 0.054 . 1123 112 114 ASP N N 112.324 0.042 . 1124 113 115 THR H H 8.342 0.008 . 1125 113 115 THR HA H 3.790 0.012 . 1126 113 115 THR HB H 3.979 0.019 . 1127 113 115 THR HG2 H 0.324 0.012 . 1128 113 115 THR C C 169.552 0.000 . 1129 113 115 THR CA C 60.116 0.055 . 1130 113 115 THR CB C 68.791 0.164 . 1131 113 115 THR CG2 C 17.350 0.029 . 1132 113 115 THR N N 121.117 0.035 . 1133 114 116 ASP H H 6.871 0.010 . 1134 114 116 ASP HA H 4.735 0.012 . 1135 114 116 ASP HB2 H 2.667 0.055 . 1136 114 116 ASP HB3 H 3.359 0.015 . 1137 114 116 ASP C C 179.751 0.000 . 1138 114 116 ASP CA C 52.778 0.174 . 1139 114 116 ASP CB C 42.269 0.071 . 1140 114 116 ASP N N 123.568 0.066 . 1141 115 117 TYR H H 8.911 0.011 . 1142 115 117 TYR HA H 3.773 0.003 . 1143 115 117 TYR HB2 H 3.578 0.023 . 1144 115 117 TYR HB3 H 2.829 0.000 . 1145 115 117 TYR HD1 H 6.327 0.009 . 1146 115 117 TYR HD2 H 6.327 0.009 . 1147 115 117 TYR HE1 H 6.861 0.002 . 1148 115 117 TYR HE2 H 6.861 0.002 . 1149 115 117 TYR C C 176.380 0.000 . 1150 115 117 TYR CA C 65.994 0.000 . 1151 115 117 TYR CB C 36.811 0.000 . 1152 115 117 TYR N N 116.080 0.039 . 1153 116 118 ASP H H 9.298 0.004 . 1154 116 118 ASP HA H 4.689 0.010 . 1155 116 118 ASP HB2 H 2.594 0.023 . 1156 116 118 ASP HB3 H 2.833 0.026 . 1157 116 118 ASP C C 176.117 0.000 . 1158 116 118 ASP CA C 54.556 0.048 . 1159 116 118 ASP CB C 42.464 0.109 . 1160 116 118 ASP N N 120.629 0.046 . 1161 117 119 GLN H H 8.886 0.010 . 1162 117 119 GLN HA H 4.838 0.016 . 1163 117 119 GLN HB2 H 2.562 0.006 . 1164 117 119 GLN HB3 H 2.562 0.006 . 1165 117 119 GLN HG2 H 2.591 0.016 . 1166 117 119 GLN HG3 H 2.313 0.014 . 1167 117 119 GLN C C 175.153 0.000 . 1168 117 119 GLN CA C 58.690 0.050 . 1169 117 119 GLN CB C 32.160 0.135 . 1170 117 119 GLN CG C 35.091 0.067 . 1171 117 119 GLN N N 120.515 0.043 . 1172 118 120 PHE H H 10.043 0.008 . 1173 118 120 PHE HA H 6.571 0.013 . 1174 118 120 PHE HB2 H 3.368 0.029 . 1175 118 120 PHE HB3 H 3.368 0.029 . 1176 118 120 PHE HD1 H 7.033 0.027 . 1177 118 120 PHE HD2 H 7.033 0.027 . 1178 118 120 PHE C C 174.194 0.000 . 1179 118 120 PHE CA C 56.411 0.008 . 1180 118 120 PHE CB C 46.138 0.092 . 1181 118 120 PHE N N 120.038 0.050 . 1182 119 121 ALA H H 8.961 0.010 . 1183 119 121 ALA HA H 4.570 0.017 . 1184 119 121 ALA HB H 0.768 0.014 . 1185 119 121 ALA C C 175.020 0.000 . 1186 119 121 ALA CA C 51.440 0.194 . 1187 119 121 ALA CB C 23.063 0.212 . 1188 119 121 ALA N N 121.638 0.027 . 1189 120 122 MET H H 9.392 0.007 . 1190 120 122 MET HA H 5.714 0.011 . 1191 120 122 MET HB2 H 2.163 0.004 . 1192 120 122 MET HB3 H 1.971 0.017 . 1193 120 122 MET HE H 1.759 0.003 . 1194 120 122 MET HG2 H 2.831 0.013 . 1195 120 122 MET C C 174.639 0.000 . 1196 120 122 MET CA C 55.222 0.100 . 1197 120 122 MET CB C 34.962 0.098 . 1198 120 122 MET N N 119.722 0.080 . 1199 121 123 VAL H H 8.421 0.012 . 1200 121 123 VAL HA H 4.434 0.024 . 1201 121 123 VAL HB H 1.826 0.019 . 1202 121 123 VAL HG1 H 0.253 0.019 . 1203 121 123 VAL HG2 H 0.591 0.011 . 1204 121 123 VAL C C 172.217 0.000 . 1205 121 123 VAL CA C 61.605 0.060 . 1206 121 123 VAL CB C 34.214 0.138 . 1207 121 123 VAL CG1 C 22.889 0.031 . 1208 121 123 VAL CG2 C 22.617 0.009 . 1209 121 123 VAL N N 124.496 0.072 . 1210 122 124 PHE H H 9.264 0.011 . 1211 122 124 PHE HA H 5.360 0.014 . 1212 122 124 PHE HB2 H 3.103 0.072 . 1213 122 124 PHE HB3 H 2.762 0.003 . 1214 122 124 PHE HD1 H 6.944 0.024 . 1215 122 124 PHE HD2 H 6.944 0.024 . 1216 122 124 PHE C C 172.231 0.000 . 1217 122 124 PHE CA C 56.887 0.004 . 1218 122 124 PHE CB C 43.006 0.012 . 1219 122 124 PHE N N 128.649 0.048 . 1220 123 125 PHE H H 9.031 0.007 . 1221 123 125 PHE HA H 5.122 0.020 . 1222 123 125 PHE HB2 H 2.694 0.035 . 1223 123 125 PHE HB3 H 2.694 0.035 . 1224 123 125 PHE HD1 H 7.159 0.007 . 1225 123 125 PHE HD2 H 7.159 0.007 . 1226 123 125 PHE HE1 H 7.455 0.014 . 1227 123 125 PHE HE2 H 7.455 0.014 . 1228 123 125 PHE C C 174.554 0.000 . 1229 123 125 PHE CA C 55.816 0.045 . 1230 123 125 PHE CB C 42.458 0.048 . 1231 123 125 PHE N N 125.400 0.031 . 1232 124 126 GLN H H 8.877 0.007 . 1233 124 126 GLN HA H 5.112 0.032 . 1234 124 126 GLN HB2 H 2.046 0.012 . 1235 124 126 GLN HB3 H 2.046 0.012 . 1236 124 126 GLN HG2 H 2.410 0.014 . 1237 124 126 GLN HG3 H 2.410 0.014 . 1238 124 126 GLN C C 173.396 0.000 . 1239 124 126 GLN CA C 54.713 0.069 . 1240 124 126 GLN CB C 32.537 0.068 . 1241 124 126 GLN CG C 34.295 0.000 . 1242 124 126 GLN N N 119.656 0.019 . 1243 125 127 LYS H H 8.959 0.014 . 1244 125 127 LYS HA H 5.167 0.017 . 1245 125 127 LYS HB2 H 1.882 0.033 . 1246 125 127 LYS HB3 H 1.882 0.033 . 1247 125 127 LYS HD2 H 1.898 0.023 . 1248 125 127 LYS HD3 H 1.898 0.023 . 1249 125 127 LYS HE2 H 3.012 0.000 . 1250 125 127 LYS HE3 H 3.012 0.000 . 1251 125 127 LYS HG2 H 1.363 0.012 . 1252 125 127 LYS HG3 H 1.363 0.012 . 1253 125 127 LYS C C 176.273 0.000 . 1254 125 127 LYS CA C 54.640 0.046 . 1255 125 127 LYS CB C 36.418 0.038 . 1256 125 127 LYS N N 125.239 0.111 . 1257 126 128 THR H H 8.450 0.008 . 1258 126 128 THR HA H 5.591 0.015 . 1259 126 128 THR HB H 4.150 0.013 . 1260 126 128 THR HG2 H 1.151 0.012 . 1261 126 128 THR C C 174.277 0.000 . 1262 126 128 THR CA C 61.343 0.054 . 1263 126 128 THR CB C 69.616 0.061 . 1264 126 128 THR CG2 C 20.845 0.042 . 1265 126 128 THR N N 121.745 0.048 . 1266 127 129 SER H H 9.097 0.005 . 1267 127 129 SER HA H 5.203 0.014 . 1268 127 129 SER HB2 H 3.814 0.009 . 1269 127 129 SER HB3 H 3.814 0.009 . 1270 127 129 SER C C 174.712 0.000 . 1271 127 129 SER CA C 57.177 0.118 . 1272 127 129 SER CB C 65.132 0.029 . 1273 127 129 SER N N 121.176 0.043 . 1274 128 130 GLU H H 9.406 0.007 . 1275 128 130 GLU HA H 3.959 0.007 . 1276 128 130 GLU HB2 H 2.243 0.010 . 1277 128 130 GLU HB3 H 2.243 0.010 . 1278 128 130 GLU HG2 H 2.299 0.043 . 1279 128 130 GLU HG3 H 2.267 0.023 . 1280 128 130 GLU C C 175.696 0.000 . 1281 128 130 GLU CA C 57.599 0.084 . 1282 128 130 GLU CB C 27.966 0.054 . 1283 128 130 GLU CG C 36.964 0.041 . 1284 128 130 GLU N N 127.515 0.064 . 1285 129 131 ASN H H 9.278 0.008 . 1286 129 131 ASN HA H 4.124 0.015 . 1287 129 131 ASN HB2 H 3.059 0.007 . 1288 129 131 ASN HB3 H 3.059 0.007 . 1289 129 131 ASN HD21 H 7.567 0.003 . 1290 129 131 ASN HD22 H 6.936 0.003 . 1291 129 131 ASN C C 173.982 0.000 . 1292 129 131 ASN CA C 54.907 0.040 . 1293 129 131 ASN CB C 37.695 0.147 . 1294 129 131 ASN N N 109.571 0.033 . 1295 129 131 ASN ND2 N 113.904 0.013 . 1296 130 132 LYS H H 8.029 0.007 . 1297 130 132 LYS HA H 4.500 0.014 . 1298 130 132 LYS HB2 H 1.830 0.014 . 1299 130 132 LYS HB3 H 1.280 0.092 . 1300 130 132 LYS HD2 H 1.694 0.016 . 1301 130 132 LYS HD3 H 1.694 0.016 . 1302 130 132 LYS HE2 H 3.054 0.009 . 1303 130 132 LYS HE3 H 3.054 0.009 . 1304 130 132 LYS HG2 H 1.450 0.027 . 1305 130 132 LYS HG3 H 1.312 0.073 . 1306 130 132 LYS C C 174.042 0.000 . 1307 130 132 LYS CA C 55.185 0.050 . 1308 130 132 LYS CB C 35.002 0.078 . 1309 130 132 LYS CD C 28.759 0.409 . 1310 130 132 LYS CE C 42.192 0.052 . 1311 130 132 LYS CG C 25.057 0.062 . 1312 130 132 LYS N N 120.709 0.025 . 1313 131 133 GLN H H 8.069 0.006 . 1314 131 133 GLN HA H 4.915 0.009 . 1315 131 133 GLN HB2 H 2.147 0.008 . 1316 131 133 GLN HB3 H 1.915 0.014 . 1317 131 133 GLN HE21 H 7.355 0.002 . 1318 131 133 GLN HE22 H 6.767 0.004 . 1319 131 133 GLN HG2 H 2.312 0.007 . 1320 131 133 GLN HG3 H 2.156 0.008 . 1321 131 133 GLN C C 174.812 0.000 . 1322 131 133 GLN CA C 55.153 0.082 . 1323 131 133 GLN CB C 30.407 0.001 . 1324 131 133 GLN CG C 34.386 0.044 . 1325 131 133 GLN N N 119.655 0.046 . 1326 131 133 GLN NE2 N 112.945 0.066 . 1327 132 134 TYR H H 9.248 0.008 . 1328 132 134 TYR HA H 5.228 0.013 . 1329 132 134 TYR HB2 H 3.062 0.013 . 1330 132 134 TYR HB3 H 2.832 0.015 . 1331 132 134 TYR HD1 H 7.026 0.011 . 1332 132 134 TYR HD2 H 7.026 0.011 . 1333 132 134 TYR HE1 H 6.796 0.010 . 1334 132 134 TYR HE2 H 6.796 0.010 . 1335 132 134 TYR C C 175.778 0.000 . 1336 132 134 TYR CA C 56.825 0.141 . 1337 132 134 TYR CB C 40.911 0.120 . 1338 132 134 TYR N N 125.433 0.052 . 1339 133 135 PHE H H 8.811 0.012 . 1340 133 135 PHE HA H 5.683 0.015 . 1341 133 135 PHE HB2 H 2.897 0.006 . 1342 133 135 PHE HB3 H 2.897 0.006 . 1343 133 135 PHE HD1 H 7.260 0.065 . 1344 133 135 PHE HD2 H 7.260 0.065 . 1345 133 135 PHE HE1 H 7.040 0.016 . 1346 133 135 PHE HE2 H 7.040 0.016 . 1347 133 135 PHE C C 173.099 0.000 . 1348 133 135 PHE CA C 56.273 0.224 . 1349 133 135 PHE CB C 42.533 0.053 . 1350 133 135 PHE N N 118.786 0.055 . 1351 134 136 LYS H H 9.207 0.008 . 1352 134 136 LYS HA H 5.420 0.021 . 1353 134 136 LYS HB2 H 1.698 0.013 . 1354 134 136 LYS HB3 H 1.698 0.013 . 1355 134 136 LYS HD2 H 1.322 0.002 . 1356 134 136 LYS HD3 H 1.322 0.002 . 1357 134 136 LYS HE2 H 2.232 0.018 . 1358 134 136 LYS HG2 H 0.627 0.026 . 1359 134 136 LYS HG3 H 0.627 0.026 . 1360 134 136 LYS C C 173.713 0.000 . 1361 134 136 LYS CA C 54.358 0.160 . 1362 134 136 LYS CB C 37.084 0.109 . 1363 134 136 LYS CE C 41.287 0.000 . 1364 134 136 LYS N N 120.666 0.032 . 1365 135 137 VAL H H 9.833 0.011 . 1366 135 137 VAL HA H 5.723 0.013 . 1367 135 137 VAL HB H 2.189 0.011 . 1368 135 137 VAL HG1 H 1.048 0.017 . 1369 135 137 VAL HG2 H 1.241 0.010 . 1370 135 137 VAL C C 175.736 0.000 . 1371 135 137 VAL CA C 59.372 0.081 . 1372 135 137 VAL CB C 35.373 0.125 . 1373 135 137 VAL CG1 C 21.435 0.072 . 1374 135 137 VAL CG2 C 23.060 0.016 . 1375 135 137 VAL N N 118.229 0.062 . 1376 136 138 THR H H 9.521 0.009 . 1377 136 138 THR HA H 4.882 0.014 . 1378 136 138 THR HB H 3.855 0.008 . 1379 136 138 THR HG2 H 1.029 0.013 . 1380 136 138 THR C C 172.857 0.000 . 1381 136 138 THR CA C 60.356 0.033 . 1382 136 138 THR CB C 70.951 0.146 . 1383 136 138 THR CG2 C 22.368 0.067 . 1384 136 138 THR N N 118.122 0.044 . 1385 137 139 LEU H H 8.257 0.007 . 1386 137 139 LEU HA H 4.844 0.026 . 1387 137 139 LEU HB2 H -0.317 0.011 . 1388 137 139 LEU HB3 H 1.012 0.011 . 1389 137 139 LEU HD1 H 0.499 0.004 . 1390 137 139 LEU HD2 H 0.940 0.003 . 1391 137 139 LEU HG H 0.695 0.012 . 1392 137 139 LEU C C 174.734 0.000 . 1393 137 139 LEU CA C 52.968 0.084 . 1394 137 139 LEU CB C 40.271 0.000 . 1395 137 139 LEU CD2 C 22.553 0.010 . 1396 137 139 LEU CG C 26.298 0.000 . 1397 137 139 LEU N N 125.983 0.071 . 1398 138 140 TYR H H 9.632 0.006 . 1399 138 140 TYR HA H 6.080 0.017 . 1400 138 140 TYR HB2 H 2.459 0.024 . 1401 138 140 TYR HB3 H 3.242 0.016 . 1402 138 140 TYR HD1 H 6.247 0.042 . 1403 138 140 TYR HD2 H 6.247 0.042 . 1404 138 140 TYR HE1 H 6.095 0.027 . 1405 138 140 TYR HE2 H 6.095 0.027 . 1406 138 140 TYR C C 176.744 0.000 . 1407 138 140 TYR CA C 52.828 0.037 . 1408 138 140 TYR CB C 41.293 0.153 . 1409 138 140 TYR N N 127.504 0.058 . 1410 139 141 GLY H H 10.051 0.045 . 1411 139 141 GLY HA2 H 6.179 0.018 . 1412 139 141 GLY HA3 H 4.133 0.023 . 1413 139 141 GLY C C 175.449 0.000 . 1414 139 141 GLY CA C 44.208 0.045 . 1415 139 141 GLY N N 105.785 0.029 . 1416 140 142 ARG H H 8.788 0.009 . 1417 140 142 ARG HA H 4.150 0.027 . 1418 140 142 ARG HB2 H 1.984 0.014 . 1419 140 142 ARG HB3 H 1.984 0.014 . 1420 140 142 ARG C C 177.081 0.000 . 1421 140 142 ARG CA C 56.003 0.039 . 1422 140 142 ARG CB C 31.056 0.000 . 1423 140 142 ARG N N 120.963 0.083 . 1424 141 143 THR H H 7.994 0.005 . 1425 141 143 THR HA H 4.599 0.018 . 1426 141 143 THR HB H 4.575 0.020 . 1427 141 143 THR HG2 H 1.256 0.018 . 1428 141 143 THR C C 172.795 0.000 . 1429 141 143 THR CA C 59.210 0.048 . 1430 141 143 THR CB C 70.815 0.043 . 1431 141 143 THR CG2 C 21.376 0.000 . 1432 141 143 THR N N 109.470 0.071 . 1433 142 144 LYS H H 7.942 0.006 . 1434 142 144 LYS HA H 3.514 0.009 . 1435 142 144 LYS HB2 H 2.093 0.011 . 1436 142 144 LYS HB3 H 2.093 0.011 . 1437 142 144 LYS HD2 H 0.389 0.006 . 1438 142 144 LYS HD3 H 0.389 0.006 . 1439 142 144 LYS HE2 H 2.512 0.013 . 1440 142 144 LYS HE3 H 2.512 0.013 . 1441 142 144 LYS HG2 H 0.030 0.003 . 1442 142 144 LYS HG3 H 0.030 0.003 . 1443 142 144 LYS C C 175.580 0.000 . 1444 142 144 LYS CA C 57.604 0.018 . 1445 142 144 LYS CB C 32.219 0.000 . 1446 142 144 LYS CE C 42.573 0.051 . 1447 142 144 LYS N N 115.667 0.043 . 1448 143 145 GLY H H 7.631 0.004 . 1449 143 145 GLY HA2 H 4.314 0.013 . 1450 143 145 GLY HA3 H 3.665 0.018 . 1451 143 145 GLY C C 172.149 0.000 . 1452 143 145 GLY CA C 44.269 0.057 . 1453 143 145 GLY N N 106.638 5.974 . 1454 144 146 LEU H H 8.135 0.003 . 1455 144 146 LEU HA H 4.889 0.012 . 1456 144 146 LEU HB2 H 1.370 0.006 . 1457 144 146 LEU HB3 H 1.690 0.016 . 1458 144 146 LEU HD1 H 1.365 0.004 . 1459 144 146 LEU HG H 1.020 0.022 . 1460 144 146 LEU C C 175.800 0.000 . 1461 144 146 LEU CA C 52.855 0.039 . 1462 144 146 LEU CB C 49.127 0.073 . 1463 144 146 LEU CD1 C 23.884 0.028 . 1464 144 146 LEU CG C 26.572 0.107 . 1465 144 146 LEU N N 119.842 0.017 . 1466 145 147 SER H H 8.198 0.009 . 1467 145 147 SER HA H 4.299 0.015 . 1468 145 147 SER HB2 H 4.091 0.020 . 1469 145 147 SER HB3 H 4.091 0.020 . 1470 145 147 SER C C 174.401 0.000 . 1471 145 147 SER CA C 57.430 0.053 . 1472 145 147 SER CB C 64.357 0.147 . 1473 145 147 SER N N 116.046 0.049 . 1474 146 148 ASP H H 8.901 0.004 . 1475 146 148 ASP HA H 4.259 0.010 . 1476 146 148 ASP HB2 H 2.696 0.006 . 1477 146 148 ASP HB3 H 2.581 0.016 . 1478 146 148 ASP C C 178.620 0.000 . 1479 146 148 ASP CA C 57.654 0.041 . 1480 146 148 ASP CB C 39.773 0.040 . 1481 146 148 ASP N N 121.906 0.055 . 1482 147 149 GLU H H 8.707 0.003 . 1483 147 149 GLU HA H 4.038 0.041 . 1484 147 149 GLU HB2 H 2.069 0.015 . 1485 147 149 GLU HB3 H 1.899 0.008 . 1486 147 149 GLU HG2 H 2.272 0.015 . 1487 147 149 GLU HG3 H 2.272 0.015 . 1488 147 149 GLU C C 179.335 0.000 . 1489 147 149 GLU CA C 59.966 0.076 . 1490 147 149 GLU CB C 29.238 0.104 . 1491 147 149 GLU CG C 36.475 0.012 . 1492 147 149 GLU N N 119.269 0.038 . 1493 148 150 LEU H H 7.612 0.006 . 1494 148 150 LEU HA H 3.926 0.017 . 1495 148 150 LEU HB2 H 1.919 0.020 . 1496 148 150 LEU HB3 H 1.919 0.020 . 1497 148 150 LEU HD1 H 0.064 0.007 . 1498 148 150 LEU HD2 H 0.787 0.013 . 1499 148 150 LEU HG H 1.404 0.009 . 1500 148 150 LEU C C 179.372 0.000 . 1501 148 150 LEU CA C 57.281 0.061 . 1502 148 150 LEU CB C 42.296 0.110 . 1503 148 150 LEU CD1 C 22.034 0.005 . 1504 148 150 LEU CD2 C 26.100 0.047 . 1505 148 150 LEU CG C 27.643 0.000 . 1506 148 150 LEU N N 121.663 0.026 . 1507 149 151 LYS H H 7.951 0.014 . 1508 149 151 LYS HA H 3.994 0.016 . 1509 149 151 LYS HB2 H 1.900 0.002 . 1510 149 151 LYS HB3 H 1.900 0.002 . 1511 149 151 LYS HD2 H 1.761 0.002 . 1512 149 151 LYS HD3 H 1.761 0.002 . 1513 149 151 LYS HE2 H 2.502 0.017 . 1514 149 151 LYS HE3 H 2.502 0.017 . 1515 149 151 LYS HG2 H 0.960 0.014 . 1516 149 151 LYS HG3 H 0.960 0.014 . 1517 149 151 LYS C C 178.675 0.000 . 1518 149 151 LYS CA C 61.559 0.053 . 1519 149 151 LYS CB C 31.632 0.000 . 1520 149 151 LYS CD C 29.359 0.000 . 1521 149 151 LYS CE C 41.302 0.000 . 1522 149 151 LYS N N 119.699 0.036 . 1523 150 152 GLU H H 8.442 0.006 . 1524 150 152 GLU HA H 4.124 0.016 . 1525 150 152 GLU HB2 H 2.122 0.014 . 1526 150 152 GLU HB3 H 2.122 0.014 . 1527 150 152 GLU HG2 H 2.378 0.020 . 1528 150 152 GLU HG3 H 2.378 0.020 . 1529 150 152 GLU C C 179.367 0.000 . 1530 150 152 GLU CA C 59.334 0.035 . 1531 150 152 GLU CB C 29.282 0.013 . 1532 150 152 GLU CG C 36.171 0.037 . 1533 150 152 GLU N N 118.885 0.028 . 1534 151 153 ARG H H 8.006 0.011 . 1535 151 153 ARG HA H 4.110 0.014 . 1536 151 153 ARG HB2 H 1.961 0.021 . 1537 151 153 ARG HB3 H 1.961 0.021 . 1538 151 153 ARG HD2 H 2.940 0.018 . 1539 151 153 ARG HD3 H 2.940 0.018 . 1540 151 153 ARG HG2 H 1.880 0.000 . 1541 151 153 ARG HG3 H 1.880 0.000 . 1542 151 153 ARG C C 179.328 0.000 . 1543 151 153 ARG CA C 59.520 0.062 . 1544 151 153 ARG CB C 30.400 0.063 . 1545 151 153 ARG CD C 43.782 0.102 . 1546 151 153 ARG CG C 27.614 0.000 . 1547 151 153 ARG N N 121.956 0.045 . 1548 152 154 PHE H H 8.234 0.006 . 1549 152 154 PHE HA H 4.806 0.024 . 1550 152 154 PHE HB2 H 3.384 0.020 . 1551 152 154 PHE HD1 H 7.440 0.025 . 1552 152 154 PHE HD2 H 7.440 0.025 . 1553 152 154 PHE C C 175.924 0.000 . 1554 152 154 PHE CA C 60.558 0.054 . 1555 152 154 PHE CB C 40.093 0.000 . 1556 152 154 PHE N N 122.036 0.038 . 1557 153 155 VAL H H 8.529 0.009 . 1558 153 155 VAL HA H 3.201 0.017 . 1559 153 155 VAL HB H 2.331 0.015 . 1560 153 155 VAL HG1 H 1.435 0.007 . 1561 153 155 VAL HG2 H 0.983 0.007 . 1562 153 155 VAL C C 177.929 0.000 . 1563 153 155 VAL CA C 67.473 0.049 . 1564 153 155 VAL CB C 31.599 0.073 . 1565 153 155 VAL CG1 C 23.147 0.012 . 1566 153 155 VAL CG2 C 21.157 0.101 . 1567 153 155 VAL N N 121.932 0.068 . 1568 154 156 SER H H 8.449 0.006 . 1569 154 156 SER HA H 4.091 0.030 . 1570 154 156 SER HB2 H 4.042 0.014 . 1571 154 156 SER HB3 H 4.042 0.014 . 1572 154 156 SER C C 177.446 0.000 . 1573 154 156 SER CA C 62.210 0.104 . 1574 154 156 SER CB C 68.680 0.000 . 1575 154 156 SER N N 113.778 0.032 . 1576 155 157 PHE H H 8.390 0.007 . 1577 155 157 PHE HA H 4.617 0.012 . 1578 155 157 PHE HB2 H 3.434 0.010 . 1579 155 157 PHE HB3 H 3.357 0.036 . 1580 155 157 PHE HD1 H 7.128 0.001 . 1581 155 157 PHE HD2 H 7.128 0.001 . 1582 155 157 PHE HE1 H 7.337 0.008 . 1583 155 157 PHE HE2 H 7.337 0.008 . 1584 155 157 PHE C C 178.502 0.000 . 1585 155 157 PHE CA C 59.346 0.021 . 1586 155 157 PHE CB C 38.928 0.065 . 1587 155 157 PHE N N 123.935 0.051 . 1588 156 158 ALA H H 8.903 0.006 . 1589 156 158 ALA HA H 3.443 0.010 . 1590 156 158 ALA HB H 0.903 0.014 . 1591 156 158 ALA C C 180.012 0.000 . 1592 156 158 ALA CA C 55.816 0.031 . 1593 156 158 ALA CB C 17.008 0.186 . 1594 156 158 ALA N N 123.522 0.042 . 1595 157 159 LYS H H 8.433 0.010 . 1596 157 159 LYS HA H 4.476 0.020 . 1597 157 159 LYS HB2 H 1.834 0.017 . 1598 157 159 LYS HB3 H 1.834 0.017 . 1599 157 159 LYS HD2 H 1.586 0.016 . 1600 157 159 LYS HD3 H 1.586 0.016 . 1601 157 159 LYS HE2 H 2.685 0.010 . 1602 157 159 LYS HE3 H 2.685 0.010 . 1603 157 159 LYS HG2 H 1.308 0.011 . 1604 157 159 LYS HG3 H 1.308 0.011 . 1605 157 159 LYS C C 181.097 0.000 . 1606 157 159 LYS CA C 59.274 0.106 . 1607 157 159 LYS CB C 31.983 0.041 . 1608 157 159 LYS CE C 42.266 0.000 . 1609 157 159 LYS N N 116.807 0.059 . 1610 158 160 SER H H 8.215 0.012 . 1611 158 160 SER HA H 4.344 0.013 . 1612 158 160 SER HB2 H 4.134 0.117 . 1613 158 160 SER HB3 H 4.134 0.117 . 1614 158 160 SER C C 175.027 0.000 . 1615 158 160 SER CA C 61.410 0.048 . 1616 158 160 SER CB C 62.377 0.042 . 1617 158 160 SER N N 120.230 0.123 . 1618 159 161 LEU H H 7.112 0.007 . 1619 159 161 LEU HA H 4.330 0.006 . 1620 159 161 LEU HB2 H 1.573 0.039 . 1621 159 161 LEU HB3 H 1.856 0.009 . 1622 159 161 LEU HD1 H 0.512 0.007 . 1623 159 161 LEU HD2 H 0.571 0.015 . 1624 159 161 LEU HG H 1.490 0.000 . 1625 159 161 LEU C C 175.935 0.000 . 1626 159 161 LEU CA C 54.253 0.029 . 1627 159 161 LEU CB C 41.552 0.000 . 1628 159 161 LEU CD1 C 21.807 0.008 . 1629 159 161 LEU CD2 C 26.716 0.052 . 1630 159 161 LEU N N 120.547 0.029 . 1631 160 162 GLY H H 7.749 0.006 . 1632 160 162 GLY HA2 H 4.317 0.020 . 1633 160 162 GLY HA3 H 3.677 0.017 . 1634 160 162 GLY C C 173.780 0.000 . 1635 160 162 GLY CA C 44.459 0.200 . 1636 160 162 GLY N N 106.210 5.955 . 1637 161 163 LEU H H 6.974 0.012 . 1638 161 163 LEU HA H 4.277 0.017 . 1639 161 163 LEU HB2 H 1.470 0.027 . 1640 161 163 LEU HB3 H 0.902 0.006 . 1641 161 163 LEU HD1 H 0.594 0.036 . 1642 161 163 LEU HD2 H 0.430 0.006 . 1643 161 163 LEU HG H 1.379 0.004 . 1644 161 163 LEU C C 172.818 0.000 . 1645 161 163 LEU CA C 54.191 0.034 . 1646 161 163 LEU CB C 41.356 0.014 . 1647 161 163 LEU CD2 C 21.265 0.015 . 1648 161 163 LEU N N 116.636 0.043 . 1649 162 164 LYS H H 8.408 0.008 . 1650 162 164 LYS HA H 4.751 0.023 . 1651 162 164 LYS HB2 H 1.810 0.016 . 1652 162 164 LYS HB3 H 1.810 0.016 . 1653 162 164 LYS HD2 H 1.744 0.040 . 1654 162 164 LYS HD3 H 1.744 0.040 . 1655 162 164 LYS HE2 H 3.050 0.014 . 1656 162 164 LYS HE3 H 3.050 0.014 . 1657 162 164 LYS HG2 H 1.603 0.007 . 1658 162 164 LYS HG3 H 1.466 0.017 . 1659 162 164 LYS C C 177.613 0.000 . 1660 162 164 LYS CA C 53.444 0.042 . 1661 162 164 LYS CB C 34.728 0.098 . 1662 162 164 LYS CD C 28.445 0.182 . 1663 162 164 LYS CE C 42.268 0.150 . 1664 162 164 LYS CG C 25.263 0.078 . 1665 162 164 LYS N N 118.108 0.057 . 1666 163 165 ASP H H 8.581 0.010 . 1667 163 165 ASP HA H 4.258 0.008 . 1668 163 165 ASP HB2 H 2.649 0.025 . 1669 163 165 ASP HB3 H 2.649 0.025 . 1670 163 165 ASP C C 177.719 0.000 . 1671 163 165 ASP CA C 58.648 0.059 . 1672 163 165 ASP CB C 41.130 0.093 . 1673 163 165 ASP N N 119.166 0.060 . 1674 164 166 ASN H H 8.194 0.012 . 1675 164 166 ASN HA H 4.557 0.009 . 1676 164 166 ASN HB2 H 3.058 0.013 . 1677 164 166 ASN HB3 H 2.846 0.010 . 1678 164 166 ASN HD21 H 7.084 0.001 . 1679 164 166 ASN HD22 H 7.850 0.016 . 1680 164 166 ASN C C 174.103 0.000 . 1681 164 166 ASN CA C 54.486 0.053 . 1682 164 166 ASN CB C 37.659 0.119 . 1683 164 166 ASN N N 111.145 0.018 . 1684 164 166 ASN ND2 N 113.702 0.029 . 1685 165 167 ASN H H 8.184 0.006 . 1686 165 167 ASN HA H 5.138 0.008 . 1687 165 167 ASN HB2 H 2.635 0.006 . 1688 165 167 ASN HB3 H 2.635 0.006 . 1689 165 167 ASN C C 172.646 0.000 . 1690 165 167 ASN CA C 53.419 0.032 . 1691 165 167 ASN CB C 42.474 0.058 . 1692 165 167 ASN N N 115.448 0.054 . 1693 166 168 ILE H H 7.101 0.007 . 1694 166 168 ILE HA H 4.494 0.014 . 1695 166 168 ILE HB H 1.805 0.008 . 1696 166 168 ILE HD1 H 0.695 0.010 . 1697 166 168 ILE HG12 H 1.641 0.015 . 1698 166 168 ILE HG13 H 1.449 0.010 . 1699 166 168 ILE HG2 H 0.644 0.009 . 1700 166 168 ILE C C 174.625 0.000 . 1701 166 168 ILE CA C 61.338 0.191 . 1702 166 168 ILE CB C 40.550 0.155 . 1703 166 168 ILE CD1 C 15.734 0.029 . 1704 166 168 ILE CG2 C 17.801 0.019 . 1705 166 168 ILE N N 118.474 0.041 . 1706 167 169 VAL H H 9.114 0.007 . 1707 167 169 VAL HA H 4.881 0.014 . 1708 167 169 VAL HB H 2.191 0.020 . 1709 167 169 VAL HG1 H 0.820 0.009 . 1710 167 169 VAL HG2 H 0.797 0.010 . 1711 167 169 VAL C C 173.413 0.000 . 1712 167 169 VAL CA C 59.393 0.040 . 1713 167 169 VAL CB C 37.145 0.109 . 1714 167 169 VAL CG1 C 22.591 0.050 . 1715 167 169 VAL CG2 C 19.838 0.004 . 1716 167 169 VAL N N 120.449 0.058 . 1717 168 170 PHE H H 8.980 0.004 . 1718 168 170 PHE HA H 5.289 0.011 . 1719 168 170 PHE HB2 H 2.962 0.024 . 1720 168 170 PHE HB3 H 2.962 0.024 . 1721 168 170 PHE HD1 H 7.511 0.005 . 1722 168 170 PHE HD2 H 7.511 0.005 . 1723 168 170 PHE HE1 H 7.235 0.008 . 1724 168 170 PHE HE2 H 7.235 0.008 . 1725 168 170 PHE C C 175.402 0.000 . 1726 168 170 PHE CA C 57.633 0.068 . 1727 168 170 PHE CB C 41.654 0.022 . 1728 168 170 PHE N N 120.533 0.030 . 1729 169 171 SER H H 7.868 0.007 . 1730 169 171 SER HA H 4.455 0.011 . 1731 169 171 SER HB2 H 3.242 0.014 . 1732 169 171 SER HB3 H 3.242 0.014 . 1733 169 171 SER C C 175.782 0.000 . 1734 169 171 SER CA C 56.367 0.054 . 1735 169 171 SER CB C 65.046 0.162 . 1736 169 171 SER N N 116.242 0.075 . 1737 170 172 VAL H H 8.706 0.007 . 1738 170 172 VAL HA H 4.688 0.005 . 1739 170 172 VAL HB H 2.031 0.011 . 1740 170 172 VAL HG1 H 0.997 0.038 . 1741 170 172 VAL HG2 H 1.042 0.033 . 1742 170 172 VAL CA C 58.829 0.062 . 1743 170 172 VAL CB C 33.412 0.079 . 1744 170 172 VAL CG1 C 20.901 0.021 . 1745 170 172 VAL CG2 C 20.882 0.009 . 1746 170 172 VAL N N 120.556 0.060 . 1747 171 173 PRO HA H 4.584 0.005 . 1748 171 173 PRO HB2 H 1.992 0.000 . 1749 171 173 PRO HD2 H 3.997 0.000 . 1750 171 173 PRO HD3 H 3.796 0.000 . 1751 171 173 PRO HG2 H 2.055 0.003 . 1752 171 173 PRO C C 174.493 0.000 . 1753 171 173 PRO CA C 63.254 0.000 . 1754 171 173 PRO CB C 32.778 0.000 . 1755 172 174 THR H H 6.628 0.007 . 1756 172 174 THR HA H 4.699 0.011 . 1757 172 174 THR HB H 4.222 0.008 . 1758 172 174 THR HG2 H 1.273 0.010 . 1759 172 174 THR C C 171.518 0.000 . 1760 172 174 THR CA C 59.173 0.056 . 1761 172 174 THR CB C 69.639 0.108 . 1762 172 174 THR CG2 C 19.996 0.012 . 1763 172 174 THR N N 112.550 0.020 . 1764 173 175 ASP H H 8.357 0.006 . 1765 173 175 ASP HA H 4.638 0.020 . 1766 173 175 ASP HB2 H 2.628 0.012 . 1767 173 175 ASP HB3 H 2.759 0.010 . 1768 173 175 ASP C C 176.001 0.000 . 1769 173 175 ASP CA C 53.646 0.041 . 1770 173 175 ASP CB C 41.197 0.091 . 1771 173 175 ASP N N 123.499 0.037 . 1772 174 176 GLN H H 8.608 0.004 . 1773 174 176 GLN HA H 4.221 0.007 . 1774 174 176 GLN HB2 H 2.004 0.017 . 1775 174 176 GLN HB3 H 2.004 0.017 . 1776 174 176 GLN HG2 H 2.615 0.007 . 1777 174 176 GLN HG3 H 2.442 0.011 . 1778 174 176 GLN C C 176.988 0.000 . 1779 174 176 GLN CA C 56.315 0.107 . 1780 174 176 GLN CB C 29.625 0.118 . 1781 174 176 GLN CG C 33.860 0.148 . 1782 174 176 GLN N N 125.840 0.067 . 1783 175 177 CYS H H 9.086 0.010 . 1784 175 177 CYS HA H 3.980 0.004 . 1785 175 177 CYS HB2 H 2.595 0.018 . 1786 175 177 CYS HB3 H 2.595 0.018 . 1787 175 177 CYS CA C 60.824 0.043 . 1788 175 177 CYS N N 116.629 0.047 . 1789 176 178 ILE HA H 3.914 0.009 . 1790 176 178 ILE HB H 2.145 0.022 . 1791 176 178 ILE HD1 H 0.931 0.014 . 1792 176 178 ILE HG12 H 1.060 0.003 . 1793 176 178 ILE HG13 H 1.060 0.003 . 1794 176 178 ILE HG2 H 1.240 0.063 . 1795 176 178 ILE C C 174.732 0.000 . 1796 176 178 ILE CA C 64.313 0.000 . 1797 176 178 ILE CB C 39.287 0.053 . 1798 176 178 ILE CD1 C 15.401 0.021 . 1799 176 178 ILE CG1 C 21.614 0.361 . 1800 176 178 ILE CG2 C 17.787 0.012 . 1801 177 179 ASP H H 8.365 0.073 . 1802 177 179 ASP HA H 4.829 0.017 . 1803 177 179 ASP HB2 H 2.737 0.027 . 1804 177 179 ASP HB3 H 2.737 0.027 . 1805 177 179 ASP C C 176.164 0.000 . 1806 177 179 ASP CA C 55.043 0.100 . 1807 177 179 ASP CB C 41.307 0.059 . 1808 177 179 ASP N N 121.567 0.230 . 1809 178 180 ASN H H 7.904 0.005 . 1810 178 180 ASN HA H 4.587 0.012 . 1811 178 180 ASN HB2 H 2.854 0.045 . 1812 178 180 ASN HB3 H 2.854 0.045 . 1813 178 180 ASN C C 173.398 0.000 . 1814 178 180 ASN CA C 53.630 0.046 . 1815 178 180 ASN CB C 39.309 0.088 . 1816 178 180 ASN N N 118.137 0.048 . stop_ save_