data_26010 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the Mycobacterium tuberculosis LppM (Rv2171) protein folded domain. ; _BMRB_accession_number 26010 _BMRB_flat_file_name bmr26010.str _Entry_type original _Submission_date 2016-03-22 _Accession_date 2016-03-22 _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 Barthe Philippe . . 2 Cohen-Gonsaud Martin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 848 "13C chemical shifts" 461 "15N chemical shifts" 169 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-12 update BMRB 'update entry citation' 2016-09-08 original author 'original release' stop_ _Original_release_date 2016-09-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Mycobacterium tuberculosis LppM Displays an Original Structure and Domain Composition Linked to a Dual Localization ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27568926 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barthe Philippe . . 2 Veyron-Churlet Romain . . 3 'de Vish' Angelique . . 4 Gilleron Martine . . 5 Saliou Jean-Michel . . 6 Nigou Jerome . . 7 Brodin Priscille . . 8 Cohen-Gonsaud Martin . . stop_ _Journal_abbreviation Structure _Journal_volume 24 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1788 _Page_last 1794 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mycobacterium tuberculosis LppM (Rv2171) protein folded domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 18229.328 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; GRENLYFQGHMLRVRASITI SPDDLVSGEIIAAAKPKNSK DTGPALDGDVPFSQKVAVSN YDSDGYVGSQAVFSDLTFAE LPQLANMNSDAAGVNLSLRR NGNIVILEGRADLTSVSDPD ADVELTVAFPAAVTSTNGDR IEPEVVQWKLKPGVVSTMSA QARYTDPNTRS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 15 GLY 2 16 ARG 3 17 GLU 4 18 ASN 5 19 LEU 6 20 TYR 7 21 PHE 8 22 GLN 9 23 GLY 10 24 HIS 11 25 MET 12 26 LEU 13 27 ARG 14 28 VAL 15 29 ARG 16 30 ALA 17 31 SER 18 32 ILE 19 33 THR 20 34 ILE 21 35 SER 22 36 PRO 23 37 ASP 24 38 ASP 25 39 LEU 26 40 VAL 27 41 SER 28 42 GLY 29 43 GLU 30 44 ILE 31 45 ILE 32 46 ALA 33 47 ALA 34 48 ALA 35 49 LYS 36 50 PRO 37 51 LYS 38 52 ASN 39 53 SER 40 54 LYS 41 55 ASP 42 56 THR 43 57 GLY 44 58 PRO 45 59 ALA 46 60 LEU 47 61 ASP 48 62 GLY 49 63 ASP 50 64 VAL 51 65 PRO 52 66 PHE 53 67 SER 54 68 GLN 55 69 LYS 56 70 VAL 57 71 ALA 58 72 VAL 59 73 SER 60 74 ASN 61 75 TYR 62 76 ASP 63 77 SER 64 78 ASP 65 79 GLY 66 80 TYR 67 81 VAL 68 82 GLY 69 83 SER 70 84 GLN 71 85 ALA 72 86 VAL 73 87 PHE 74 88 SER 75 89 ASP 76 90 LEU 77 91 THR 78 92 PHE 79 93 ALA 80 94 GLU 81 95 LEU 82 96 PRO 83 97 GLN 84 98 LEU 85 99 ALA 86 100 ASN 87 101 MET 88 102 ASN 89 103 SER 90 104 ASP 91 105 ALA 92 106 ALA 93 107 GLY 94 108 VAL 95 109 ASN 96 110 LEU 97 111 SER 98 112 LEU 99 113 ARG 100 114 ARG 101 115 ASN 102 116 GLY 103 117 ASN 104 118 ILE 105 119 VAL 106 120 ILE 107 121 LEU 108 122 GLU 109 123 GLY 110 124 ARG 111 125 ALA 112 126 ASP 113 127 LEU 114 128 THR 115 129 SER 116 130 VAL 117 131 SER 118 132 ASP 119 133 PRO 120 134 ASP 121 135 ALA 122 136 ASP 123 137 VAL 124 138 GLU 125 139 LEU 126 140 THR 127 141 VAL 128 142 ALA 129 143 PHE 130 144 PRO 131 145 ALA 132 146 ALA 133 147 VAL 134 148 THR 135 149 SER 136 150 THR 137 151 ASN 138 152 GLY 139 153 ASP 140 154 ARG 141 155 ILE 142 156 GLU 143 157 PRO 144 158 GLU 145 159 VAL 146 160 VAL 147 161 GLN 148 162 TRP 149 163 LYS 150 164 LEU 151 165 LYS 152 166 PRO 153 167 GLY 154 168 VAL 155 169 VAL 156 170 SER 157 171 THR 158 172 MET 159 173 SER 160 174 ALA 161 175 GLN 162 176 ALA 163 177 ARG 164 178 TYR 165 179 THR 166 180 ASP 167 181 PRO 168 182 ASN 169 183 THR 170 184 ARG 171 185 SER 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 $entity 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $entity 'recombinant technology' . Escherichia coli BL21 DE3 . 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 $entity 0.9 mM '[U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.9 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_GIFA _Saveframe_category software _Name GIFA _Version 4.44 loop_ _Vendor _Address _Electronic_address Delsuc . . stop_ loop_ _Task processing stop_ _Details . save_ save_CINDY _Saveframe_category software _Name CINDY _Version 1.9 loop_ _Vendor _Address _Electronic_address Padilla ; 29 rue de Navacelles 34090 Montpellier France ; andre.padilla@cbs.cnrs.fr stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 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' 150 0.75 mM pH 6.8 0.034 pH pressure 1 . atm temperature 298 1 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 '3D 1H-15N NOESY' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 15 1 GLY H H 8.389 0.01 . 2 15 1 GLY HA2 H 3.960 0.01 . 3 15 1 GLY HA3 H 3.940 0.01 . 4 15 1 GLY C C 174.440 0.01 . 5 15 1 GLY CA C 45.540 0.01 . 6 15 1 GLY N N 109.140 0.01 . 7 16 2 ARG H H 8.246 0.01 . 8 16 2 ARG HA H 4.257 0.01 . 9 16 2 ARG HB2 H 1.711 0.01 . 10 16 2 ARG HB3 H 1.833 0.01 . 11 16 2 ARG HG2 H 1.560 0.01 . 12 16 2 ARG HG3 H 1.581 0.01 . 13 16 2 ARG HD2 H 3.116 0.01 . 14 16 2 ARG HD3 H 3.135 0.01 . 15 16 2 ARG C C 176.490 0.01 . 16 16 2 ARG CA C 56.460 0.01 . 17 16 2 ARG CB C 30.980 0.01 . 18 16 2 ARG N N 120.450 0.01 . 19 17 3 GLU H H 8.598 0.01 . 20 17 3 GLU HA H 4.178 0.01 . 21 17 3 GLU HB2 H 1.887 0.01 . 22 17 3 GLU HB3 H 1.997 0.01 . 23 17 3 GLU HG2 H 2.212 0.01 . 24 17 3 GLU HG3 H 2.240 0.01 . 25 17 3 GLU C C 176.230 0.01 . 26 17 3 GLU CA C 57.270 0.01 . 27 17 3 GLU CB C 30.180 0.01 . 28 17 3 GLU N N 121.190 0.01 . 29 18 4 ASN H H 8.347 0.01 . 30 18 4 ASN HA H 4.613 0.01 . 31 18 4 ASN HB2 H 2.673 0.01 . 32 18 4 ASN HB3 H 2.747 0.01 . 33 18 4 ASN HD21 H 6.887 0.01 . 34 18 4 ASN HD22 H 7.547 0.01 . 35 18 4 ASN C C 174.970 0.01 . 36 18 4 ASN CA C 53.410 0.01 . 37 18 4 ASN CB C 39.000 0.01 . 38 18 4 ASN N N 119.050 0.01 . 39 18 4 ASN ND2 N 112.920 0.01 . 40 19 5 LEU H H 8.022 0.01 . 41 19 5 LEU HA H 4.180 0.01 . 42 19 5 LEU HB2 H 1.413 0.01 . 43 19 5 LEU HB3 H 1.432 0.01 . 44 19 5 LEU HG H 1.300 0.01 . 45 19 5 LEU HD1 H 0.763 0.01 . 46 19 5 LEU HD2 H 0.434 0.01 . 47 19 5 LEU C C 176.930 0.01 . 48 19 5 LEU CA C 55.570 0.01 . 49 19 5 LEU CB C 42.620 0.01 . 50 19 5 LEU N N 122.080 0.01 . 51 20 6 TYR H H 8.005 0.01 . 52 20 6 TYR HA H 4.490 0.01 . 53 20 6 TYR HB2 H 2.797 0.01 . 54 20 6 TYR HB3 H 2.924 0.01 . 55 20 6 TYR HD1 H 6.900 0.01 . 56 20 6 TYR HD2 H 6.900 0.01 . 57 20 6 TYR C C 175.560 0.01 . 58 20 6 TYR CA C 57.950 0.01 . 59 20 6 TYR CB C 38.850 0.01 . 60 20 6 TYR N N 119.750 0.01 . 61 21 7 PHE H H 8.118 0.01 . 62 21 7 PHE HA H 4.537 0.01 . 63 21 7 PHE HB2 H 2.957 0.01 . 64 21 7 PHE HB3 H 3.056 0.01 . 65 21 7 PHE HD1 H 7.200 0.01 . 66 21 7 PHE HD2 H 7.200 0.01 . 67 21 7 PHE C C 175.350 0.01 . 68 21 7 PHE CA C 58.210 0.01 . 69 21 7 PHE CB C 39.940 0.01 . 70 21 7 PHE N N 121.300 0.01 . 71 22 8 GLN H H 8.202 0.01 . 72 22 8 GLN HA H 4.257 0.01 . 73 22 8 GLN HB2 H 1.859 0.01 . 74 22 8 GLN HB3 H 2.055 0.01 . 75 22 8 GLN HG2 H 2.245 0.01 . 76 22 8 GLN HG3 H 2.274 0.01 . 77 22 8 GLN HE21 H 6.851 0.01 . 78 22 8 GLN HE22 H 7.486 0.01 . 79 22 8 GLN C C 175.760 0.01 . 80 22 8 GLN CA C 56.020 0.01 . 81 22 8 GLN CB C 29.750 0.01 . 82 22 8 GLN N N 122.100 0.01 . 83 22 8 GLN NE2 N 112.600 0.01 . 84 23 9 GLY H H 7.529 0.01 . 85 23 9 GLY HA2 H 3.821 0.01 . 86 23 9 GLY HA3 H 3.860 0.01 . 87 23 9 GLY C C 173.340 0.01 . 88 23 9 GLY CA C 45.340 0.01 . 89 23 9 GLY N N 108.260 0.01 . 90 26 12 LEU HA H 4.882 0.01 . 91 26 12 LEU C C 175.590 0.01 . 92 26 12 LEU CA C 55.430 0.01 . 93 26 12 LEU CB C 46.040 0.01 . 94 27 13 ARG H H 9.050 0.01 . 95 27 13 ARG HA H 5.102 0.01 . 96 27 13 ARG HB2 H 1.589 0.01 . 97 27 13 ARG HB3 H 1.644 0.01 . 98 27 13 ARG HG2 H 1.412 0.01 . 99 27 13 ARG HG3 H 1.464 0.01 . 100 27 13 ARG C C 173.540 0.01 . 101 27 13 ARG CA C 55.200 0.01 . 102 27 13 ARG CB C 34.210 0.01 . 103 27 13 ARG N N 127.470 0.01 . 104 28 14 VAL H H 9.256 0.01 . 105 28 14 VAL HA H 5.181 0.01 . 106 28 14 VAL HB H 2.028 0.01 . 107 28 14 VAL HG1 H 0.936 0.01 . 108 28 14 VAL HG2 H 0.731 0.01 . 109 28 14 VAL C C 175.070 0.01 . 110 28 14 VAL CA C 60.420 0.01 . 111 28 14 VAL CB C 34.950 0.01 . 112 28 14 VAL N N 126.200 0.01 . 113 29 15 ARG H H 8.896 0.01 . 114 29 15 ARG HA H 5.261 0.01 . 115 29 15 ARG HB2 H 1.948 0.01 . 116 29 15 ARG HB3 H 1.980 0.01 . 117 29 15 ARG HG2 H 1.528 0.01 . 118 29 15 ARG HG3 H 1.561 0.01 . 119 29 15 ARG C C 174.450 0.01 . 120 29 15 ARG CA C 54.090 0.01 . 121 29 15 ARG CB C 34.140 0.01 . 122 29 15 ARG N N 125.660 0.01 . 123 30 16 ALA H H 8.904 0.01 . 124 30 16 ALA HA H 5.469 0.01 . 125 30 16 ALA HB H 1.284 0.01 . 126 30 16 ALA C C 175.320 0.01 . 127 30 16 ALA CA C 50.510 0.01 . 128 30 16 ALA CB C 22.710 0.01 . 129 30 16 ALA N N 126.340 0.01 . 130 31 17 SER H H 8.985 0.01 . 131 31 17 SER HA H 5.623 0.01 . 132 31 17 SER HB2 H 3.733 0.01 . 133 31 17 SER HB3 H 3.770 0.01 . 134 31 17 SER C C 173.740 0.01 . 135 31 17 SER CA C 56.240 0.01 . 136 31 17 SER CB C 64.840 0.01 . 137 31 17 SER N N 119.770 0.01 . 138 32 18 ILE H H 8.936 0.01 . 139 32 18 ILE HA H 5.247 0.01 . 140 32 18 ILE HB H 1.874 0.01 . 141 32 18 ILE HG12 H 1.135 0.01 . 142 32 18 ILE HG13 H 1.406 0.01 . 143 32 18 ILE HG2 H 0.980 0.01 . 144 32 18 ILE HD1 H 0.843 0.01 . 145 32 18 ILE C C 174.970 0.01 . 146 32 18 ILE CA C 59.510 0.01 . 147 32 18 ILE CB C 41.850 0.01 . 148 32 18 ILE N N 121.310 0.01 . 149 33 19 THR H H 9.679 0.01 . 150 33 19 THR HA H 4.881 0.01 . 151 33 19 THR HB H 3.813 0.01 . 152 33 19 THR HG2 H 0.981 0.01 . 153 33 19 THR C C 172.590 0.01 . 154 33 19 THR CA C 61.930 0.01 . 155 33 19 THR CB C 71.130 0.01 . 156 33 19 THR N N 122.930 0.01 . 157 34 20 ILE H H 8.644 0.01 . 158 34 20 ILE HA H 4.615 0.01 . 159 34 20 ILE HB H 1.592 0.01 . 160 34 20 ILE HG12 H 0.670 0.01 . 161 34 20 ILE HG13 H 1.255 0.01 . 162 34 20 ILE HG2 H 0.083 0.01 . 163 34 20 ILE HD1 H 1.225 0.01 . 164 34 20 ILE C C 175.170 0.01 . 165 34 20 ILE CA C 60.680 0.01 . 166 34 20 ILE CB C 40.430 0.01 . 167 34 20 ILE N N 128.720 0.01 . 168 35 21 SER H H 9.413 0.01 . 169 35 21 SER HA H 4.897 0.01 . 170 35 21 SER HB2 H 3.871 0.01 . 171 35 21 SER HB3 H 3.909 0.01 . 172 35 21 SER C C 173.700 0.01 . 173 35 21 SER CA C 56.370 0.01 . 174 35 21 SER CB C 64.510 0.01 . 175 35 21 SER N N 125.340 0.01 . 176 36 22 PRO HB2 H 2.106 0.01 . 177 36 22 PRO HB3 H 1.957 0.01 . 178 36 22 PRO C C 175.420 0.01 . 179 36 22 PRO CA C 64.680 0.01 . 180 36 22 PRO CB C 31.770 0.01 . 181 37 23 ASP H H 7.679 0.01 . 182 37 23 ASP HA H 4.642 0.01 . 183 37 23 ASP HB2 H 2.341 0.01 . 184 37 23 ASP HB3 H 2.718 0.01 . 185 37 23 ASP C C 173.770 0.01 . 186 37 23 ASP CA C 53.490 0.01 . 187 37 23 ASP CB C 40.490 0.01 . 188 37 23 ASP N N 114.040 0.01 . 189 38 24 ASP H H 8.368 0.01 . 190 38 24 ASP HA H 3.969 0.01 . 191 38 24 ASP HB2 H 1.704 0.01 . 192 38 24 ASP HB3 H 2.636 0.01 . 193 38 24 ASP C C 172.640 0.01 . 194 38 24 ASP CA C 55.550 0.01 . 195 38 24 ASP CB C 36.360 0.01 . 196 38 24 ASP N N 116.030 0.01 . 197 39 25 LEU H H 7.086 0.01 . 198 39 25 LEU HA H 5.232 0.01 . 199 39 25 LEU HB2 H 1.284 0.01 . 200 39 25 LEU HB3 H 1.659 0.01 . 201 39 25 LEU HG H 0.972 0.01 . 202 39 25 LEU HD1 H 0.717 0.01 . 203 39 25 LEU HD2 H 0.593 0.01 . 204 39 25 LEU C C 177.910 0.01 . 205 39 25 LEU CA C 52.750 0.01 . 206 39 25 LEU CB C 45.250 0.01 . 207 39 25 LEU N N 113.820 0.01 . 208 40 26 VAL H H 10.020 0.01 . 209 40 26 VAL HA H 5.035 0.01 . 210 40 26 VAL HB H 1.948 0.01 . 211 40 26 VAL HG1 H 0.980 0.01 . 212 40 26 VAL HG2 H 0.944 0.01 . 213 40 26 VAL C C 175.160 0.01 . 214 40 26 VAL CA C 62.090 0.01 . 215 40 26 VAL CB C 34.410 0.01 . 216 40 26 VAL N N 122.460 0.01 . 217 41 27 SER H H 8.858 0.01 . 218 41 27 SER HA H 5.077 0.01 . 219 41 27 SER HB2 H 3.680 0.01 . 220 41 27 SER HB3 H 4.114 0.01 . 221 41 27 SER C C 171.710 0.01 . 222 41 27 SER CA C 56.500 0.01 . 223 41 27 SER CB C 66.850 0.01 . 224 41 27 SER N N 121.400 0.01 . 225 42 28 GLY H H 7.738 0.01 . 226 42 28 GLY HA2 H 3.744 0.01 . 227 42 28 GLY HA3 H 4.350 0.01 . 228 42 28 GLY C C 170.990 0.01 . 229 42 28 GLY CA C 47.100 0.01 . 230 42 28 GLY N N 108.790 0.01 . 231 43 29 GLU H H 8.506 0.01 . 232 43 29 GLU HA H 5.418 0.01 . 233 43 29 GLU HB2 H 1.831 0.01 . 234 43 29 GLU HB3 H 1.937 0.01 . 235 43 29 GLU HG2 H 2.033 0.01 . 236 43 29 GLU HG3 H 2.059 0.01 . 237 43 29 GLU C C 175.080 0.01 . 238 43 29 GLU CA C 54.470 0.01 . 239 43 29 GLU CB C 34.550 0.01 . 240 43 29 GLU N N 117.740 0.01 . 241 44 30 ILE H H 9.355 0.01 . 242 44 30 ILE HA H 5.020 0.01 . 243 44 30 ILE HB H 1.700 0.01 . 244 44 30 ILE HG12 H 1.317 0.01 . 245 44 30 ILE HG13 H 1.346 0.01 . 246 44 30 ILE HG2 H 0.843 0.01 . 247 44 30 ILE HD1 H 0.801 0.01 . 248 44 30 ILE C C 174.100 0.01 . 249 44 30 ILE CA C 59.930 0.01 . 250 44 30 ILE CB C 43.270 0.01 . 251 44 30 ILE N N 122.500 0.01 . 252 45 31 ILE H H 9.053 0.01 . 253 45 31 ILE HA H 4.211 0.01 . 254 45 31 ILE HB H 1.250 0.01 . 255 45 31 ILE HG12 H 1.130 0.01 . 256 45 31 ILE HG13 H 1.371 0.01 . 257 45 31 ILE HG2 H -0.170 0.01 . 258 45 31 ILE HD1 H 0.665 0.01 . 259 45 31 ILE C C 173.920 0.01 . 260 45 31 ILE CA C 60.690 0.01 . 261 45 31 ILE CB C 41.580 0.01 . 262 45 31 ILE N N 126.970 0.01 . 263 46 32 ALA H H 8.611 0.01 . 264 46 32 ALA HA H 4.950 0.01 . 265 46 32 ALA HB H 1.102 0.01 . 266 46 32 ALA C C 173.270 0.01 . 267 46 32 ALA CA C 50.840 0.01 . 268 46 32 ALA CB C 21.020 0.01 . 269 46 32 ALA N N 128.540 0.01 . 270 47 33 ALA H H 9.068 0.01 . 271 47 33 ALA HA H 5.210 0.01 . 272 47 33 ALA HB H 1.124 0.01 . 273 47 33 ALA C C 173.720 0.01 . 274 47 33 ALA CA C 51.160 0.01 . 275 47 33 ALA CB C 24.340 0.01 . 276 47 33 ALA N N 124.920 0.01 . 277 48 34 ALA H H 9.460 0.01 . 278 48 34 ALA HA H 5.609 0.01 . 279 48 34 ALA HB H 1.445 0.01 . 280 48 34 ALA C C 173.850 0.01 . 281 48 34 ALA CA C 51.160 0.01 . 282 48 34 ALA CB C 23.920 0.01 . 283 48 34 ALA N N 120.770 0.01 . 284 52 38 ASN HB2 H 3.000 0.01 . 285 52 38 ASN HB3 H 3.160 0.01 . 286 52 38 ASN HD21 H 7.655 0.01 . 287 52 38 ASN HD22 H 6.834 0.01 . 288 52 38 ASN ND2 N 114.810 0.01 . 289 53 39 SER C C 174.960 0.01 . 290 53 39 SER CA C 61.450 0.01 . 291 53 39 SER CB C 63.490 0.01 . 292 54 40 LYS H H 8.065 0.01 . 293 54 40 LYS HA H 4.434 0.01 . 294 54 40 LYS HB2 H 1.662 0.01 . 295 54 40 LYS HB3 H 1.965 0.01 . 296 54 40 LYS HG2 H 1.361 0.01 . 297 54 40 LYS HG3 H 1.417 0.01 . 298 54 40 LYS HD3 H 1.617 0.01 . 299 54 40 LYS C C 176.020 0.01 . 300 54 40 LYS CA C 55.670 0.01 . 301 54 40 LYS CB C 32.790 0.01 . 302 54 40 LYS N N 120.010 0.01 . 303 55 41 ASP H H 7.342 0.01 . 304 55 41 ASP HA H 4.570 0.01 . 305 55 41 ASP HB2 H 2.626 0.01 . 306 55 41 ASP HB3 H 2.979 0.01 . 307 55 41 ASP C C 176.210 0.01 . 308 55 41 ASP CA C 54.590 0.01 . 309 55 41 ASP CB C 42.120 0.01 . 310 55 41 ASP N N 121.500 0.01 . 311 56 42 THR H H 8.279 0.01 . 312 56 42 THR HA H 4.351 0.01 . 313 56 42 THR HB H 4.585 0.01 . 314 56 42 THR HG2 H 1.238 0.01 . 315 56 42 THR C C 175.850 0.01 . 316 56 42 THR CA C 61.770 0.01 . 317 56 42 THR CB C 69.370 0.01 . 318 56 42 THR N N 115.620 0.01 . 319 57 43 GLY H H 8.392 0.01 . 320 57 43 GLY HA2 H 3.942 0.01 . 321 57 43 GLY HA3 H 4.359 0.01 . 322 57 43 GLY C C 171.580 0.01 . 323 57 43 GLY CA C 45.570 0.01 . 324 57 43 GLY N N 109.740 0.01 . 325 58 44 PRO HA H 4.242 0.01 . 326 58 44 PRO HB2 H 1.748 0.01 . 327 58 44 PRO HB3 H 2.047 0.01 . 328 58 44 PRO HG2 H 1.853 0.01 . 329 58 44 PRO HG3 H 1.890 0.01 . 330 58 44 PRO HD2 H 3.606 0.01 . 331 58 44 PRO HD3 H 3.626 0.01 . 332 58 44 PRO C C 175.250 0.01 . 333 58 44 PRO CA C 63.580 0.01 . 334 58 44 PRO CB C 32.650 0.01 . 335 59 45 ALA H H 8.519 0.01 . 336 59 45 ALA HA H 4.551 0.01 . 337 59 45 ALA HB H 1.431 0.01 . 338 59 45 ALA C C 177.290 0.01 . 339 59 45 ALA CA C 50.910 0.01 . 340 59 45 ALA CB C 21.770 0.01 . 341 59 45 ALA N N 125.720 0.01 . 342 60 46 LEU H H 8.363 0.01 . 343 60 46 LEU HA H 4.784 0.01 . 344 60 46 LEU HB2 H 1.455 0.01 . 345 60 46 LEU HB3 H 1.924 0.01 . 346 60 46 LEU HG H 1.338 0.01 . 347 60 46 LEU HD1 H 0.810 0.01 . 348 60 46 LEU HD2 H 0.700 0.01 . 349 60 46 LEU C C 175.420 0.01 . 350 60 46 LEU CA C 53.280 0.01 . 351 60 46 LEU CB C 42.590 0.01 . 352 60 46 LEU N N 121.740 0.01 . 353 61 47 ASP H H 7.758 0.01 . 354 61 47 ASP HA H 4.559 0.01 . 355 61 47 ASP HB2 H 2.584 0.01 . 356 61 47 ASP HB3 H 2.942 0.01 . 357 61 47 ASP C C 177.190 0.01 . 358 61 47 ASP CA C 53.890 0.01 . 359 61 47 ASP CB C 41.170 0.01 . 360 61 47 ASP N N 117.480 0.01 . 361 62 48 GLY H H 8.656 0.01 . 362 62 48 GLY HA2 H 3.733 0.01 . 363 62 48 GLY HA3 H 3.871 0.01 . 364 62 48 GLY C C 173.360 0.01 . 365 62 48 GLY CA C 45.130 0.01 . 366 62 48 GLY N N 109.820 0.01 . 367 63 49 ASP H H 8.099 0.01 . 368 63 49 ASP HA H 4.502 0.01 . 369 63 49 ASP HB2 H 2.450 0.01 . 370 63 49 ASP HB3 H 2.474 0.01 . 371 63 49 ASP C C 176.020 0.01 . 372 63 49 ASP CA C 55.100 0.01 . 373 63 49 ASP CB C 41.720 0.01 . 374 63 49 ASP N N 121.160 0.01 . 375 64 50 VAL H H 7.721 0.01 . 376 64 50 VAL HA H 4.441 0.01 . 377 64 50 VAL HB H 0.667 0.01 . 378 64 50 VAL HG1 H 0.519 0.01 . 379 64 50 VAL HG2 H 0.177 0.01 . 380 64 50 VAL C C 175.410 0.01 . 381 64 50 VAL CA C 57.510 0.01 . 382 64 50 VAL CB C 33.800 0.01 . 383 64 50 VAL N N 114.530 0.01 . 384 65 51 PRO HA H 4.475 0.01 . 385 65 51 PRO HB2 H 2.330 0.01 . 386 65 51 PRO HB3 H 2.090 0.01 . 387 65 51 PRO HG2 H 2.130 0.01 . 388 65 51 PRO HG3 H 2.150 0.01 . 389 65 51 PRO HD2 H 3.620 0.01 . 390 65 51 PRO HD3 H 3.640 0.01 . 391 66 52 PHE H H 5.717 0.01 . 392 66 52 PHE HA H 5.285 0.01 . 393 66 52 PHE HB2 H 2.875 0.01 . 394 66 52 PHE HB3 H 3.420 0.01 . 395 66 52 PHE HD1 H 7.314 0.01 . 396 66 52 PHE HD2 H 7.314 0.01 . 397 66 52 PHE HE1 H 7.171 0.01 . 398 66 52 PHE HE2 H 7.171 0.01 . 399 66 52 PHE HZ H 6.889 0.01 . 400 66 52 PHE N N 113.770 0.01 . 401 67 53 SER H H 7.521 0.01 . 402 67 53 SER HA H 4.037 0.01 . 403 67 53 SER HB2 H 3.691 0.01 . 404 67 53 SER HB3 H 3.725 0.01 . 405 67 53 SER C C 175.300 0.01 . 406 67 53 SER CA C 63.030 0.01 . 407 67 53 SER N N 116.550 0.01 . 408 68 54 GLN H H 9.197 0.01 . 409 68 54 GLN HA H 4.421 0.01 . 410 68 54 GLN HB2 H 2.135 0.01 . 411 68 54 GLN HB3 H 2.181 0.01 . 412 68 54 GLN HG2 H 2.382 0.01 . 413 68 54 GLN HG3 H 2.637 0.01 . 414 68 54 GLN HE21 H 7.087 0.01 . 415 68 54 GLN HE22 H 7.704 0.01 . 416 68 54 GLN C C 177.110 0.01 . 417 68 54 GLN CA C 58.130 0.01 . 418 68 54 GLN CB C 27.340 0.01 . 419 68 54 GLN N N 120.360 0.01 . 420 68 54 GLN NE2 N 111.490 0.01 . 421 69 55 LYS H H 8.465 0.01 . 422 69 55 LYS HA H 4.598 0.01 . 423 69 55 LYS HB2 H 1.975 0.01 . 424 69 55 LYS HB3 H 2.025 0.01 . 425 69 55 LYS HG2 H 1.498 0.01 . 426 69 55 LYS HG3 H 1.536 0.01 . 427 69 55 LYS HD3 H 1.680 0.01 . 428 69 55 LYS C C 175.180 0.01 . 429 69 55 LYS CA C 57.480 0.01 . 430 69 55 LYS CB C 34.170 0.01 . 431 69 55 LYS N N 118.620 0.01 . 432 70 56 VAL H H 7.585 0.01 . 433 70 56 VAL HA H 4.979 0.01 . 434 70 56 VAL HB H 2.030 0.01 . 435 70 56 VAL HG1 H 1.001 0.01 . 436 70 56 VAL HG2 H 0.961 0.01 . 437 70 56 VAL C C 173.500 0.01 . 438 70 56 VAL CA C 60.820 0.01 . 439 70 56 VAL CB C 35.320 0.01 . 440 70 56 VAL N N 117.230 0.01 . 441 71 57 ALA H H 9.009 0.01 . 442 71 57 ALA HA H 4.936 0.01 . 443 71 57 ALA HB H 1.390 0.01 . 444 71 57 ALA C C 177.020 0.01 . 445 71 57 ALA CA C 51.320 0.01 . 446 71 57 ALA CB C 21.190 0.01 . 447 71 57 ALA N N 129.280 0.01 . 448 72 58 VAL H H 9.082 0.01 . 449 72 58 VAL HA H 5.163 0.01 . 450 72 58 VAL HB H 2.032 0.01 . 451 72 58 VAL HG1 H 1.029 0.01 . 452 72 58 VAL HG2 H 0.991 0.01 . 453 72 58 VAL C C 175.860 0.01 . 454 72 58 VAL CA C 61.880 0.01 . 455 72 58 VAL CB C 33.630 0.01 . 456 72 58 VAL N N 127.330 0.01 . 457 73 59 SER H H 9.520 0.01 . 458 73 59 SER HA H 4.951 0.01 . 459 73 59 SER HB2 H 3.941 0.01 . 460 73 59 SER HB3 H 3.972 0.01 . 461 73 59 SER C C 173.460 0.01 . 462 73 59 SER CA C 57.220 0.01 . 463 73 59 SER CB C 66.700 0.01 . 464 73 59 SER N N 122.040 0.01 . 465 74 60 ASN H H 8.713 0.01 . 466 74 60 ASN HA H 5.005 0.01 . 467 74 60 ASN HB2 H 2.869 0.01 . 468 74 60 ASN HB3 H 2.900 0.01 . 469 74 60 ASN HD21 H 6.979 0.01 . 470 74 60 ASN HD22 H 7.727 0.01 . 471 74 60 ASN C C 174.040 0.01 . 472 74 60 ASN CA C 54.590 0.01 . 473 74 60 ASN CB C 39.580 0.01 . 474 74 60 ASN N N 119.030 0.01 . 475 74 60 ASN ND2 N 112.990 0.01 . 476 75 61 TYR H H 8.409 0.01 . 477 75 61 TYR HA H 4.582 0.01 . 478 75 61 TYR HB2 H 2.378 0.01 . 479 75 61 TYR HB3 H 2.420 0.01 . 480 75 61 TYR HD1 H 6.760 0.01 . 481 75 61 TYR HD2 H 6.760 0.01 . 482 75 61 TYR HE1 H 6.540 0.01 . 483 75 61 TYR HE2 H 6.540 0.01 . 484 75 61 TYR C C 173.570 0.01 . 485 75 61 TYR CA C 57.480 0.01 . 486 75 61 TYR CB C 42.490 0.01 . 487 75 61 TYR N N 124.580 0.01 . 488 76 62 ASP H H 8.057 0.01 . 489 76 62 ASP HA H 5.093 0.01 . 490 76 62 ASP HB2 H 2.547 0.01 . 491 76 62 ASP HB3 H 2.574 0.01 . 492 76 62 ASP C C 174.750 0.01 . 493 76 62 ASP CA C 53.420 0.01 . 494 76 62 ASP CB C 41.880 0.01 . 495 76 62 ASP N N 128.860 0.01 . 496 77 63 SER H H 7.594 0.01 . 497 77 63 SER HA H 4.373 0.01 . 498 77 63 SER HB2 H 3.215 0.01 . 499 77 63 SER HB3 H 3.430 0.01 . 500 77 63 SER C C 174.680 0.01 . 501 77 63 SER CA C 58.980 0.01 . 502 77 63 SER CB C 65.220 0.01 . 503 77 63 SER N N 117.800 0.01 . 504 78 64 ASP H H 9.089 0.01 . 505 78 64 ASP HA H 4.347 0.01 . 506 78 64 ASP HB2 H 2.980 0.01 . 507 78 64 ASP HB3 H 3.180 0.01 . 508 78 64 ASP C C 174.720 0.01 . 509 78 64 ASP CA C 55.970 0.01 . 510 78 64 ASP CB C 40.190 0.01 . 511 78 64 ASP N N 123.410 0.01 . 512 79 65 GLY H H 8.631 0.01 . 513 79 65 GLY HA2 H 3.528 0.01 . 514 79 65 GLY HA3 H 4.028 0.01 . 515 79 65 GLY C C 173.930 0.01 . 516 79 65 GLY CA C 45.420 0.01 . 517 79 65 GLY N N 105.240 0.01 . 518 80 66 TYR H H 8.228 0.01 . 519 80 66 TYR HA H 4.408 0.01 . 520 80 66 TYR HB2 H 2.739 0.01 . 521 80 66 TYR HB3 H 3.300 0.01 . 522 80 66 TYR HD1 H 6.945 0.01 . 523 80 66 TYR HD2 H 6.945 0.01 . 524 80 66 TYR HE1 H 6.710 0.01 . 525 80 66 TYR HE2 H 6.710 0.01 . 526 80 66 TYR C C 175.200 0.01 . 527 80 66 TYR CA C 58.260 0.01 . 528 80 66 TYR CB C 40.730 0.01 . 529 80 66 TYR N N 118.850 0.01 . 530 81 67 VAL H H 9.058 0.01 . 531 81 67 VAL HA H 5.346 0.01 . 532 81 67 VAL HB H 2.141 0.01 . 533 81 67 VAL HG1 H 0.946 0.01 . 534 81 67 VAL HG2 H 0.841 0.01 . 535 81 67 VAL C C 175.580 0.01 . 536 81 67 VAL CA C 59.310 0.01 . 537 81 67 VAL CB C 35.590 0.01 . 538 81 67 VAL N N 114.830 0.01 . 539 82 68 GLY H H 8.439 0.01 . 540 82 68 GLY HA2 H 4.400 0.01 . 541 82 68 GLY HA3 H 5.215 0.01 . 542 82 68 GLY C C 174.230 0.01 . 543 82 68 GLY CA C 46.930 0.01 . 544 82 68 GLY N N 110.680 0.01 . 545 83 69 SER H H 9.289 0.01 . 546 83 69 SER HA H 5.473 0.01 . 547 83 69 SER HB2 H 3.523 0.01 . 548 83 69 SER HB3 H 3.811 0.01 . 549 83 69 SER C C 169.920 0.01 . 550 83 69 SER CA C 58.130 0.01 . 551 83 69 SER CB C 67.720 0.01 . 552 83 69 SER N N 122.560 0.01 . 553 84 70 GLN H H 9.227 0.01 . 554 84 70 GLN HA H 5.439 0.01 . 555 84 70 GLN HB2 H 1.939 0.01 . 556 84 70 GLN HB3 H 1.968 0.01 . 557 84 70 GLN HG2 H 2.104 0.01 . 558 84 70 GLN HG3 H 2.162 0.01 . 559 84 70 GLN HE21 H 6.729 0.01 . 560 84 70 GLN HE22 H 7.181 0.01 . 561 84 70 GLN C C 173.290 0.01 . 562 84 70 GLN CA C 53.350 0.01 . 563 84 70 GLN CB C 32.750 0.01 . 564 84 70 GLN N N 121.660 0.01 . 565 84 70 GLN NE2 N 111.220 0.01 . 566 85 71 ALA H H 9.565 0.01 . 567 85 71 ALA HA H 5.647 0.01 . 568 85 71 ALA HB H 1.322 0.01 . 569 85 71 ALA C C 175.950 0.01 . 570 85 71 ALA CA C 50.070 0.01 . 571 85 71 ALA CB C 23.150 0.01 . 572 85 71 ALA N N 125.650 0.01 . 573 86 72 VAL H H 8.831 0.01 . 574 86 72 VAL HA H 4.892 0.01 . 575 86 72 VAL HB H 2.045 0.01 . 576 86 72 VAL HG1 H 0.953 0.01 . 577 86 72 VAL HG2 H 0.992 0.01 . 578 86 72 VAL C C 175.330 0.01 . 579 86 72 VAL CA C 61.020 0.01 . 580 86 72 VAL CB C 34.580 0.01 . 581 86 72 VAL N N 120.460 0.01 . 582 87 73 PHE H H 8.367 0.01 . 583 87 73 PHE HA H 6.118 0.01 . 584 87 73 PHE HB2 H 2.909 0.01 . 585 87 73 PHE HB3 H 3.011 0.01 . 586 87 73 PHE HD1 H 6.842 0.01 . 587 87 73 PHE HD2 H 6.842 0.01 . 588 87 73 PHE HE1 H 6.800 0.01 . 589 87 73 PHE HE2 H 6.800 0.01 . 590 87 73 PHE HZ H 6.780 0.01 . 591 87 73 PHE C C 174.680 0.01 . 592 87 73 PHE CA C 54.270 0.01 . 593 87 73 PHE CB C 42.700 0.01 . 594 87 73 PHE N N 122.820 0.01 . 595 88 74 SER H H 8.317 0.01 . 596 88 74 SER HA H 4.943 0.01 . 597 88 74 SER HB2 H 3.681 0.01 . 598 88 74 SER HB3 H 3.778 0.01 . 599 88 74 SER C C 172.100 0.01 . 600 88 74 SER CA C 57.410 0.01 . 601 88 74 SER CB C 66.090 0.01 . 602 88 74 SER N N 114.380 0.01 . 603 89 75 ASP H H 8.373 0.01 . 604 89 75 ASP HA H 4.026 0.01 . 605 89 75 ASP HB2 H 2.783 0.01 . 606 89 75 ASP HB3 H 2.837 0.01 . 607 89 75 ASP C C 175.650 0.01 . 608 89 75 ASP CA C 56.040 0.01 . 609 89 75 ASP CB C 38.980 0.01 . 610 89 75 ASP N N 120.080 0.01 . 611 90 76 LEU H H 9.440 0.01 . 612 90 76 LEU HA H 4.327 0.01 . 613 90 76 LEU HB2 H 1.487 0.01 . 614 90 76 LEU HB3 H 1.638 0.01 . 615 90 76 LEU HG H 1.000 0.01 . 616 90 76 LEU HD1 H 0.526 0.01 . 617 90 76 LEU HD2 H 0.289 0.01 . 618 90 76 LEU C C 177.990 0.01 . 619 90 76 LEU CA C 55.910 0.01 . 620 90 76 LEU CB C 42.610 0.01 . 621 90 76 LEU N N 120.920 0.01 . 622 91 77 THR H H 8.745 0.01 . 623 91 77 THR HA H 4.652 0.01 . 624 91 77 THR HB H 4.694 0.01 . 625 91 77 THR HG2 H 1.129 0.01 . 626 91 77 THR C C 176.640 0.01 . 627 91 77 THR CA C 60.620 0.01 . 628 91 77 THR CB C 70.760 0.01 . 629 91 77 THR N N 110.970 0.01 . 630 92 78 PHE H H 9.378 0.01 . 631 92 78 PHE HA H 4.320 0.01 . 632 92 78 PHE HB2 H 3.263 0.01 . 633 92 78 PHE HB3 H 3.425 0.01 . 634 92 78 PHE HD1 H 6.936 0.01 . 635 92 78 PHE HD2 H 6.936 0.01 . 636 92 78 PHE HE1 H 6.926 0.01 . 637 92 78 PHE HE2 H 6.926 0.01 . 638 92 78 PHE C C 178.830 0.01 . 639 92 78 PHE CA C 58.200 0.01 . 640 92 78 PHE CB C 36.020 0.01 . 641 92 78 PHE N N 119.220 0.01 . 642 93 79 ALA H H 8.036 0.01 . 643 93 79 ALA HA H 4.234 0.01 . 644 93 79 ALA HB H 1.443 0.01 . 645 93 79 ALA C C 179.900 0.01 . 646 93 79 ALA CA C 54.270 0.01 . 647 93 79 ALA CB C 19.170 0.01 . 648 93 79 ALA N N 118.700 0.01 . 649 94 80 GLU H H 7.455 0.01 . 650 94 80 GLU HA H 3.966 0.01 . 651 94 80 GLU HB2 H 1.909 0.01 . 652 94 80 GLU HB3 H 1.997 0.01 . 653 94 80 GLU HG2 H 2.224 0.01 . 654 94 80 GLU HG3 H 2.263 0.01 . 655 94 80 GLU C C 177.370 0.01 . 656 94 80 GLU CA C 58.000 0.01 . 657 94 80 GLU CB C 30.250 0.01 . 658 94 80 GLU N N 118.280 0.01 . 659 95 81 LEU H H 7.121 0.01 . 660 95 81 LEU HA H 3.840 0.01 . 661 95 81 LEU HB2 H 1.555 0.01 . 662 95 81 LEU HB3 H 1.682 0.01 . 663 95 81 LEU HG H 1.420 0.01 . 664 95 81 LEU HD1 H 1.001 0.01 . 665 95 81 LEU HD2 H 0.666 0.01 . 666 95 81 LEU C C 177.290 0.01 . 667 95 81 LEU CA C 59.900 0.01 . 668 95 81 LEU N N 117.740 0.01 . 669 96 82 PRO HB2 H 2.030 0.01 . 670 96 82 PRO HB3 H 1.810 0.01 . 671 96 82 PRO HG2 H 1.920 0.01 . 672 96 82 PRO HG3 H 1.950 0.01 . 673 96 82 PRO HD2 H 3.805 0.01 . 674 96 82 PRO HD3 H 3.957 0.01 . 675 96 82 PRO C C 179.870 0.01 . 676 96 82 PRO CA C 65.800 0.01 . 677 96 82 PRO CB C 31.600 0.01 . 678 97 83 GLN H H 7.787 0.01 . 679 97 83 GLN HA H 4.187 0.01 . 680 97 83 GLN HB2 H 2.375 0.01 . 681 97 83 GLN HB3 H 2.603 0.01 . 682 97 83 GLN HG2 H 2.455 0.01 . 683 97 83 GLN HG3 H 2.484 0.01 . 684 97 83 GLN HE21 H 6.894 0.01 . 685 97 83 GLN HE22 H 7.320 0.01 . 686 97 83 GLN C C 177.900 0.01 . 687 97 83 GLN CA C 57.670 0.01 . 688 97 83 GLN CB C 29.000 0.01 . 689 97 83 GLN N N 114.090 0.01 . 690 97 83 GLN NE2 N 110.860 0.01 . 691 98 84 LEU H H 8.086 0.01 . 692 98 84 LEU HA H 3.915 0.01 . 693 98 84 LEU HB2 H 1.525 0.01 . 694 98 84 LEU HB3 H 1.590 0.01 . 695 98 84 LEU HG H 1.189 0.01 . 696 98 84 LEU HD1 H 0.475 0.01 . 697 98 84 LEU HD2 H 0.006 0.01 . 698 98 84 LEU C C 178.030 0.01 . 699 98 84 LEU CA C 57.670 0.01 . 700 98 84 LEU CB C 42.440 0.01 . 701 98 84 LEU N N 119.820 0.01 . 702 99 85 ALA H H 7.349 0.01 . 703 99 85 ALA HA H 3.807 0.01 . 704 99 85 ALA HB H 1.406 0.01 . 705 99 85 ALA C C 177.090 0.01 . 706 99 85 ALA CA C 54.730 0.01 . 707 99 85 ALA CB C 18.400 0.01 . 708 99 85 ALA N N 118.210 0.01 . 709 100 86 ASN H H 7.443 0.01 . 710 100 86 ASN HA H 4.374 0.01 . 711 100 86 ASN HB2 H 2.720 0.01 . 712 100 86 ASN HB3 H 2.899 0.01 . 713 100 86 ASN HD21 H 7.038 0.01 . 714 100 86 ASN HD22 H 7.653 0.01 . 715 100 86 ASN C C 176.240 0.01 . 716 100 86 ASN CA C 54.270 0.01 . 717 100 86 ASN CB C 38.620 0.01 . 718 100 86 ASN N N 112.410 0.01 . 719 100 86 ASN ND2 N 112.100 0.01 . 720 101 87 MET H H 7.733 0.01 . 721 101 87 MET HA H 3.738 0.01 . 722 101 87 MET HB2 H 1.856 0.01 . 723 101 87 MET HB3 H 2.314 0.01 . 724 101 87 MET HG2 H 2.494 0.01 . 725 101 87 MET HG3 H 2.785 0.01 . 726 101 87 MET HE H 1.930 0.01 . 727 101 87 MET C C 176.070 0.01 . 728 101 87 MET CA C 59.510 0.01 . 729 101 87 MET CB C 35.170 0.01 . 730 101 87 MET N N 115.650 0.01 . 731 102 88 ASN H H 7.189 0.01 . 732 102 88 ASN HA H 4.832 0.01 . 733 102 88 ASN HB2 H 2.314 0.01 . 734 102 88 ASN HB3 H 2.847 0.01 . 735 102 88 ASN HD21 H 8.482 0.01 . 736 102 88 ASN HD22 H 7.308 0.01 . 737 102 88 ASN C C 174.870 0.01 . 738 102 88 ASN CA C 53.610 0.01 . 739 102 88 ASN CB C 42.930 0.01 . 740 102 88 ASN N N 114.600 0.01 . 741 102 88 ASN ND2 N 113.300 0.01 . 742 103 89 SER C C 175.690 0.01 . 743 103 89 SER CA C 61.540 0.01 . 744 103 89 SER CB C 63.350 0.01 . 745 104 90 ASP H H 8.761 0.01 . 746 104 90 ASP HA H 4.750 0.01 . 747 104 90 ASP HB2 H 2.693 0.01 . 748 104 90 ASP HB3 H 2.728 0.01 . 749 104 90 ASP C C 176.290 0.01 . 750 104 90 ASP CA C 56.560 0.01 . 751 104 90 ASP CB C 41.330 0.01 . 752 104 90 ASP N N 121.490 0.01 . 753 105 91 ALA H H 7.847 0.01 . 754 105 91 ALA HA H 4.352 0.01 . 755 105 91 ALA HB H 1.517 0.01 . 756 105 91 ALA C C 175.950 0.01 . 757 105 91 ALA CA C 51.970 0.01 . 758 105 91 ALA CB C 18.890 0.01 . 759 105 91 ALA N N 121.330 0.01 . 760 106 92 ALA H H 7.183 0.01 . 761 106 92 ALA HA H 4.117 0.01 . 762 106 92 ALA HB H 1.428 0.01 . 763 106 92 ALA C C 178.440 0.01 . 764 106 92 ALA CA C 54.460 0.01 . 765 106 92 ALA CB C 19.200 0.01 . 766 106 92 ALA N N 120.580 0.01 . 767 107 93 GLY H H 8.554 0.01 . 768 107 93 GLY HA2 H 3.832 0.01 . 769 107 93 GLY HA3 H 4.095 0.01 . 770 107 93 GLY C C 174.310 0.01 . 771 107 93 GLY CA C 45.750 0.01 . 772 107 93 GLY N N 106.130 0.01 . 773 108 94 VAL H H 7.806 0.01 . 774 108 94 VAL HA H 4.525 0.01 . 775 108 94 VAL HB H 2.158 0.01 . 776 108 94 VAL HG1 H 0.870 0.01 . 777 108 94 VAL HG2 H 0.778 0.01 . 778 108 94 VAL C C 174.360 0.01 . 779 108 94 VAL CA C 61.740 0.01 . 780 108 94 VAL CB C 32.950 0.01 . 781 108 94 VAL N N 121.330 0.01 . 782 109 95 ASN H H 8.617 0.01 . 783 109 95 ASN HA H 4.991 0.01 . 784 109 95 ASN HB2 H 2.541 0.01 . 785 109 95 ASN HB3 H 2.643 0.01 . 786 109 95 ASN HD21 H 6.775 0.01 . 787 109 95 ASN HD22 H 7.484 0.01 . 788 109 95 ASN C C 172.880 0.01 . 789 109 95 ASN CA C 52.830 0.01 . 790 109 95 ASN CB C 42.690 0.01 . 791 109 95 ASN N N 124.120 0.01 . 792 109 95 ASN ND2 N 112.050 0.01 . 793 110 96 LEU H H 7.885 0.01 . 794 110 96 LEU HA H 4.768 0.01 . 795 110 96 LEU HB2 H 1.406 0.01 . 796 110 96 LEU HB3 H 1.438 0.01 . 797 110 96 LEU HG H 1.140 0.01 . 798 110 96 LEU HD1 H 0.652 0.01 . 799 110 96 LEU HD2 H 0.556 0.01 . 800 110 96 LEU C C 173.470 0.01 . 801 110 96 LEU CA C 54.990 0.01 . 802 110 96 LEU CB C 45.600 0.01 . 803 110 96 LEU N N 124.250 0.01 . 804 111 97 SER H H 8.681 0.01 . 805 111 97 SER HA H 4.711 0.01 . 806 111 97 SER HB2 H 3.707 0.01 . 807 111 97 SER HB3 H 3.748 0.01 . 808 111 97 SER C C 172.350 0.01 . 809 111 97 SER CA C 56.890 0.01 . 810 111 97 SER CB C 66.410 0.01 . 811 111 97 SER N N 116.380 0.01 . 812 112 98 LEU H H 8.482 0.01 . 813 112 98 LEU HA H 5.078 0.01 . 814 112 98 LEU HB2 H 1.710 0.01 . 815 112 98 LEU HB3 H 1.780 0.01 . 816 112 98 LEU HG H 1.567 0.01 . 817 112 98 LEU HD1 H 0.372 0.01 . 818 112 98 LEU HD2 H 0.180 0.01 . 819 112 98 LEU C C 174.950 0.01 . 820 112 98 LEU CA C 53.480 0.01 . 821 112 98 LEU CB C 46.060 0.01 . 822 112 98 LEU N N 125.080 0.01 . 823 113 99 ARG H H 8.471 0.01 . 824 113 99 ARG HA H 4.835 0.01 . 825 113 99 ARG HB2 H 1.710 0.01 . 826 113 99 ARG HB3 H 1.732 0.01 . 827 113 99 ARG HG2 H 1.536 0.01 . 828 113 99 ARG HG3 H 1.576 0.01 . 829 113 99 ARG C C 173.170 0.01 . 830 113 99 ARG CA C 54.530 0.01 . 831 113 99 ARG CB C 34.090 0.01 . 832 113 99 ARG N N 119.310 0.01 . 833 114 100 ARG H H 8.976 0.01 . 834 114 100 ARG HA H 5.274 0.01 . 835 114 100 ARG HB2 H 1.561 0.01 . 836 114 100 ARG HB3 H 1.774 0.01 . 837 114 100 ARG HG2 H 1.366 0.01 . 838 114 100 ARG HG3 H 1.420 0.01 . 839 114 100 ARG HD2 H 2.880 0.01 . 840 114 100 ARG HD3 H 3.380 0.01 . 841 114 100 ARG HE H 10.190 0.01 . 842 114 100 ARG C C 175.810 0.01 . 843 114 100 ARG CA C 54.660 0.01 . 844 114 100 ARG CB C 32.870 0.01 . 845 114 100 ARG N N 122.950 0.01 . 846 114 100 ARG NE N 84.290 0.01 . 847 115 101 ASN H H 9.446 0.01 . 848 115 101 ASN HA H 4.912 0.01 . 849 115 101 ASN HB2 H 2.469 0.01 . 850 115 101 ASN HB3 H 2.767 0.01 . 851 115 101 ASN HD21 H 6.841 0.01 . 852 115 101 ASN HD22 H 7.322 0.01 . 853 115 101 ASN C C 175.230 0.01 . 854 115 101 ASN CA C 51.910 0.01 . 855 115 101 ASN CB C 39.970 0.01 . 856 115 101 ASN N N 126.960 0.01 . 857 115 101 ASN ND2 N 111.080 0.01 . 858 116 102 GLY H H 9.171 0.01 . 859 116 102 GLY HA2 H 3.710 0.01 . 860 116 102 GLY HA3 H 3.951 0.01 . 861 116 102 GLY N N 116.850 0.01 . 862 117 103 ASN H H 8.802 0.01 . 863 117 103 ASN HA H 4.425 0.01 . 864 117 103 ASN HB2 H 2.707 0.01 . 865 117 103 ASN HB3 H 2.792 0.01 . 866 117 103 ASN HD21 H 6.956 0.01 . 867 117 103 ASN HD22 H 7.468 0.01 . 868 117 103 ASN C C 172.050 0.01 . 869 117 103 ASN CA C 53.090 0.01 . 870 117 103 ASN CB C 38.690 0.01 . 871 117 103 ASN N N 125.360 0.01 . 872 117 103 ASN ND2 N 112.360 0.01 . 873 118 104 ILE H H 7.661 0.01 . 874 118 104 ILE HA H 4.613 0.01 . 875 118 104 ILE HB H 1.938 0.01 . 876 118 104 ILE HG12 H 1.521 0.01 . 877 118 104 ILE HG13 H 1.565 0.01 . 878 118 104 ILE HG2 H 1.093 0.01 . 879 118 104 ILE HD1 H 0.803 0.01 . 880 118 104 ILE C C 174.560 0.01 . 881 118 104 ILE CA C 60.160 0.01 . 882 118 104 ILE CB C 40.180 0.01 . 883 118 104 ILE N N 118.420 0.01 . 884 119 105 VAL H H 8.921 0.01 . 885 119 105 VAL HA H 4.778 0.01 . 886 119 105 VAL HB H 1.957 0.01 . 887 119 105 VAL HG1 H 1.025 0.01 . 888 119 105 VAL HG2 H 0.906 0.01 . 889 119 105 VAL C C 174.400 0.01 . 890 119 105 VAL CA C 62.130 0.01 . 891 119 105 VAL CB C 34.290 0.01 . 892 119 105 VAL N N 127.270 0.01 . 893 120 106 ILE H H 8.966 0.01 . 894 120 106 ILE HA H 4.642 0.01 . 895 120 106 ILE HB H 1.553 0.01 . 896 120 106 ILE HG12 H 1.362 0.01 . 897 120 106 ILE HG13 H 1.462 0.01 . 898 120 106 ILE HG2 H 0.854 0.01 . 899 120 106 ILE HD1 H 0.787 0.01 . 900 120 106 ILE C C 174.760 0.01 . 901 120 106 ILE CA C 61.080 0.01 . 902 120 106 ILE CB C 42.340 0.01 . 903 120 106 ILE N N 125.190 0.01 . 904 121 107 LEU H H 9.469 0.01 . 905 121 107 LEU HA H 5.255 0.01 . 906 121 107 LEU HB2 H 1.408 0.01 . 907 121 107 LEU HB3 H 1.502 0.01 . 908 121 107 LEU HG H 0.762 0.01 . 909 121 107 LEU HD1 H 0.556 0.01 . 910 121 107 LEU HD2 H 0.373 0.01 . 911 121 107 LEU C C 175.620 0.01 . 912 121 107 LEU CA C 53.870 0.01 . 913 121 107 LEU CB C 45.380 0.01 . 914 121 107 LEU N N 130.790 0.01 . 915 122 108 GLU H H 8.737 0.01 . 916 122 108 GLU HA H 5.065 0.01 . 917 122 108 GLU HB2 H 1.776 0.01 . 918 122 108 GLU HB3 H 1.895 0.01 . 919 122 108 GLU HG2 H 2.149 0.01 . 920 122 108 GLU HG3 H 2.176 0.01 . 921 122 108 GLU C C 175.150 0.01 . 922 122 108 GLU CA C 55.380 0.01 . 923 122 108 GLU CB C 33.820 0.01 . 924 122 108 GLU N N 127.240 0.01 . 925 123 109 GLY H H 8.926 0.01 . 926 123 109 GLY HA2 H 3.478 0.01 . 927 123 109 GLY HA3 H 4.994 0.01 . 928 123 109 GLY C C 172.210 0.01 . 929 123 109 GLY CA C 45.360 0.01 . 930 123 109 GLY N N 110.660 0.01 . 931 124 110 ARG H H 8.960 0.01 . 932 124 110 ARG HA H 4.971 0.01 . 933 124 110 ARG HB2 H 1.606 0.01 . 934 124 110 ARG HB3 H 1.659 0.01 . 935 124 110 ARG HG2 H 1.341 0.01 . 936 124 110 ARG HG3 H 1.369 0.01 . 937 124 110 ARG C C 173.450 0.01 . 938 124 110 ARG CA C 55.640 0.01 . 939 124 110 ARG CB C 34.020 0.01 . 940 124 110 ARG N N 122.760 0.01 . 941 125 111 ALA H H 8.798 0.01 . 942 125 111 ALA HA H 4.802 0.01 . 943 125 111 ALA HB H 1.042 0.01 . 944 125 111 ALA C C 174.180 0.01 . 945 125 111 ALA CA C 51.060 0.01 . 946 125 111 ALA CB C 22.120 0.01 . 947 125 111 ALA N N 125.310 0.01 . 948 126 112 ASP H H 8.538 0.01 . 949 126 112 ASP HA H 4.685 0.01 . 950 126 112 ASP HB2 H 2.407 0.01 . 951 126 112 ASP HB3 H 3.169 0.01 . 952 126 112 ASP C C 175.550 0.01 . 953 126 112 ASP CA C 53.550 0.01 . 954 126 112 ASP CB C 40.850 0.01 . 955 126 112 ASP N N 122.090 0.01 . 956 127 113 LEU H H 7.633 0.01 . 957 127 113 LEU HA H 4.715 0.01 . 958 127 113 LEU HB2 H 2.012 0.01 . 959 127 113 LEU HB3 H 2.067 0.01 . 960 127 113 LEU HG H 1.511 0.01 . 961 127 113 LEU HD1 H 0.901 0.01 . 962 127 113 LEU HD2 H 0.735 0.01 . 963 127 113 LEU C C 179.010 0.01 . 964 127 113 LEU CA C 54.920 0.01 . 965 127 113 LEU CB C 40.180 0.01 . 966 127 113 LEU N N 126.040 0.01 . 967 128 114 THR H H 8.946 0.01 . 968 128 114 THR HA H 3.431 0.01 . 969 128 114 THR HB H 4.073 0.01 . 970 128 114 THR HG2 H 1.190 0.01 . 971 128 114 THR C C 176.060 0.01 . 972 128 114 THR CA C 66.910 0.01 . 973 128 114 THR CB C 69.320 0.01 . 974 128 114 THR N N 117.300 0.01 . 975 129 115 SER H H 8.562 0.01 . 976 129 115 SER HA H 4.438 0.01 . 977 129 115 SER HB2 H 3.852 0.01 . 978 129 115 SER HB3 H 3.899 0.01 . 979 129 115 SER C C 173.830 0.01 . 980 129 115 SER CA C 58.980 0.01 . 981 129 115 SER CB C 63.840 0.01 . 982 129 115 SER N N 114.130 0.01 . 983 130 116 VAL H H 7.425 0.01 . 984 130 116 VAL HA H 4.022 0.01 . 985 130 116 VAL HB H 2.219 0.01 . 986 130 116 VAL HG1 H 1.033 0.01 . 987 130 116 VAL HG2 H 0.901 0.01 . 988 130 116 VAL C C 175.000 0.01 . 989 130 116 VAL CA C 62.590 0.01 . 990 130 116 VAL CB C 31.930 0.01 . 991 130 116 VAL N N 122.310 0.01 . 992 133 119 PRO C C 177.250 0.01 . 993 133 119 PRO CA C 64.420 0.01 . 994 133 119 PRO CB C 32.260 0.01 . 995 134 120 ASP H H 8.348 0.01 . 996 134 120 ASP HA H 4.846 0.01 . 997 134 120 ASP HB2 H 2.506 0.01 . 998 134 120 ASP HB3 H 2.805 0.01 . 999 134 120 ASP C C 175.760 0.01 . 1000 134 120 ASP CA C 53.940 0.01 . 1001 134 120 ASP CB C 41.870 0.01 . 1002 134 120 ASP N N 117.360 0.01 . 1003 135 121 ALA H H 7.338 0.01 . 1004 135 121 ALA HA H 4.283 0.01 . 1005 135 121 ALA HB H 1.381 0.01 . 1006 135 121 ALA C C 176.200 0.01 . 1007 135 121 ALA CA C 54.270 0.01 . 1008 135 121 ALA CB C 19.890 0.01 . 1009 135 121 ALA N N 123.540 0.01 . 1010 136 122 ASP H H 8.066 0.01 . 1011 136 122 ASP HA H 4.669 0.01 . 1012 136 122 ASP HB2 H 2.461 0.01 . 1013 136 122 ASP HB3 H 2.978 0.01 . 1014 136 122 ASP C C 173.480 0.01 . 1015 136 122 ASP CA C 53.220 0.01 . 1016 136 122 ASP CB C 42.540 0.01 . 1017 136 122 ASP N N 124.730 0.01 . 1018 137 123 VAL H H 8.764 0.01 . 1019 137 123 VAL HA H 5.207 0.01 . 1020 137 123 VAL HB H 2.177 0.01 . 1021 137 123 VAL HG1 H 0.856 0.01 . 1022 137 123 VAL HG2 H 0.729 0.01 . 1023 137 123 VAL C C 174.550 0.01 . 1024 137 123 VAL CA C 61.020 0.01 . 1025 137 123 VAL CB C 33.350 0.01 . 1026 137 123 VAL N N 125.150 0.01 . 1027 138 124 GLU H H 8.521 0.01 . 1028 138 124 GLU HA H 5.424 0.01 . 1029 138 124 GLU HB2 H 1.970 0.01 . 1030 138 124 GLU HB3 H 2.059 0.01 . 1031 138 124 GLU HG2 H 2.143 0.01 . 1032 138 124 GLU HG3 H 2.194 0.01 . 1033 138 124 GLU C C 173.470 0.01 . 1034 138 124 GLU CA C 55.250 0.01 . 1035 138 124 GLU CB C 36.250 0.01 . 1036 138 124 GLU N N 126.880 0.01 . 1037 139 125 LEU H H 8.917 0.01 . 1038 139 125 LEU HA H 5.597 0.01 . 1039 139 125 LEU HB2 H 1.948 0.01 . 1040 139 125 LEU HB3 H 1.991 0.01 . 1041 139 125 LEU HG H 1.605 0.01 . 1042 139 125 LEU HD1 H 0.801 0.01 . 1043 139 125 LEU HD2 H 0.455 0.01 . 1044 139 125 LEU C C 174.620 0.01 . 1045 139 125 LEU CA C 53.480 0.01 . 1046 139 125 LEU CB C 46.330 0.01 . 1047 139 125 LEU N N 126.920 0.01 . 1048 140 126 THR H H 9.026 0.01 . 1049 140 126 THR HA H 5.452 0.01 . 1050 140 126 THR HB H 3.991 0.01 . 1051 140 126 THR HG2 H 1.140 0.01 . 1052 140 126 THR C C 173.350 0.01 . 1053 140 126 THR CA C 62.520 0.01 . 1054 140 126 THR CB C 71.080 0.01 . 1055 140 126 THR N N 124.170 0.01 . 1056 141 127 VAL H H 9.670 0.01 . 1057 141 127 VAL HA H 4.803 0.01 . 1058 141 127 VAL HB H 2.035 0.01 . 1059 141 127 VAL HG1 H 0.373 0.01 . 1060 141 127 VAL HG2 H 0.877 0.01 . 1061 141 127 VAL C C 172.450 0.01 . 1062 141 127 VAL CA C 61.150 0.01 . 1063 141 127 VAL CB C 35.100 0.01 . 1064 141 127 VAL N N 126.100 0.01 . 1065 142 128 ALA H H 8.770 0.01 . 1066 142 128 ALA HA H 5.301 0.01 . 1067 142 128 ALA HB H 1.402 0.01 . 1068 142 128 ALA C C 175.870 0.01 . 1069 142 128 ALA CA C 50.470 0.01 . 1070 142 128 ALA CB C 21.710 0.01 . 1071 142 128 ALA N N 129.650 0.01 . 1072 143 129 PHE H H 9.313 0.01 . 1073 143 129 PHE HA H 4.665 0.01 . 1074 143 129 PHE HB2 H 2.728 0.01 . 1075 143 129 PHE HB3 H 3.382 0.01 . 1076 143 129 PHE HD1 H 7.208 0.01 . 1077 143 129 PHE HD2 H 7.208 0.01 . 1078 143 129 PHE HE1 H 6.961 0.01 . 1079 143 129 PHE HE2 H 6.961 0.01 . 1080 143 129 PHE HZ H 6.888 0.01 . 1081 143 129 PHE C C 174.760 0.01 . 1082 143 129 PHE CA C 56.490 0.01 . 1083 143 129 PHE CB C 41.260 0.01 . 1084 143 129 PHE N N 120.760 0.01 . 1085 144 130 PRO HA H 4.607 0.01 . 1086 144 130 PRO HB2 H 2.122 0.01 . 1087 144 130 PRO HB3 H 1.644 0.01 . 1088 144 130 PRO HG2 H 1.838 0.01 . 1089 144 130 PRO HG3 H 1.978 0.01 . 1090 144 130 PRO HD2 H 3.130 0.01 . 1091 144 130 PRO HD3 H 3.690 0.01 . 1092 144 130 PRO C C 174.230 0.01 . 1093 144 130 PRO CA C 63.440 0.01 . 1094 144 130 PRO CB C 30.500 0.01 . 1095 145 131 ALA H H 7.234 0.01 . 1096 145 131 ALA HA H 4.407 0.01 . 1097 145 131 ALA HB H 1.411 0.01 . 1098 145 131 ALA C C 174.040 0.01 . 1099 145 131 ALA CA C 50.400 0.01 . 1100 145 131 ALA CB C 23.810 0.01 . 1101 145 131 ALA N N 119.630 0.01 . 1102 146 132 ALA H H 8.190 0.01 . 1103 146 132 ALA HA H 3.677 0.01 . 1104 146 132 ALA HB H 1.279 0.01 . 1105 146 132 ALA C C 177.360 0.01 . 1106 146 132 ALA CA C 53.220 0.01 . 1107 146 132 ALA CB C 18.670 0.01 . 1108 146 132 ALA N N 117.290 0.01 . 1109 147 133 VAL H H 8.153 0.01 . 1110 147 133 VAL HA H 3.971 0.01 . 1111 147 133 VAL HB H 1.830 0.01 . 1112 147 133 VAL HG1 H 0.758 0.01 . 1113 147 133 VAL HG2 H 0.725 0.01 . 1114 147 133 VAL C C 177.840 0.01 . 1115 147 133 VAL CA C 62.520 0.01 . 1116 147 133 VAL CB C 32.600 0.01 . 1117 147 133 VAL N N 120.660 0.01 . 1118 148 134 THR H H 9.060 0.01 . 1119 148 134 THR HA H 4.250 0.01 . 1120 148 134 THR HB H 4.151 0.01 . 1121 148 134 THR HG2 H 1.180 0.01 . 1122 148 134 THR C C 175.570 0.01 . 1123 148 134 THR CA C 63.110 0.01 . 1124 148 134 THR CB C 68.780 0.01 . 1125 148 134 THR N N 121.820 0.01 . 1126 149 135 SER H H 7.277 0.01 . 1127 149 135 SER HA H 4.604 0.01 . 1128 149 135 SER HB2 H 3.613 0.01 . 1129 149 135 SER HB3 H 3.744 0.01 . 1130 149 135 SER C C 172.740 0.01 . 1131 149 135 SER CA C 57.670 0.01 . 1132 149 135 SER CB C 65.060 0.01 . 1133 149 135 SER N N 114.900 0.01 . 1134 150 136 THR H H 8.391 0.01 . 1135 150 136 THR HA H 5.180 0.01 . 1136 150 136 THR HB H 4.630 0.01 . 1137 150 136 THR HG2 H 0.880 0.01 . 1138 150 136 THR C C 171.280 0.01 . 1139 150 136 THR CA C 60.880 0.01 . 1140 150 136 THR CB C 68.780 0.01 . 1141 150 136 THR N N 117.480 0.01 . 1142 151 137 ASN H H 8.258 0.01 . 1143 151 137 ASN HA H 5.208 0.01 . 1144 151 137 ASN HB2 H 2.905 0.01 . 1145 151 137 ASN HB3 H 3.512 0.01 . 1146 151 137 ASN HD21 H 7.157 0.01 . 1147 151 137 ASN HD22 H 7.961 0.01 . 1148 151 137 ASN C C 176.840 0.01 . 1149 151 137 ASN CA C 52.370 0.01 . 1150 151 137 ASN CB C 38.760 0.01 . 1151 151 137 ASN N N 122.630 0.01 . 1152 151 137 ASN ND2 N 114.050 0.01 . 1153 152 138 GLY H H 8.936 0.01 . 1154 152 138 GLY HA2 H 3.924 0.01 . 1155 152 138 GLY HA3 H 3.963 0.01 . 1156 152 138 GLY C C 171.530 0.01 . 1157 152 138 GLY CA C 42.610 0.01 . 1158 152 138 GLY N N 112.460 0.01 . 1159 153 139 ASP H H 8.152 0.01 . 1160 153 139 ASP HA H 4.641 0.01 . 1161 153 139 ASP HB2 H 2.498 0.01 . 1162 153 139 ASP HB3 H 2.565 0.01 . 1163 153 139 ASP C C 175.820 0.01 . 1164 153 139 ASP CA C 53.480 0.01 . 1165 153 139 ASP CB C 41.800 0.01 . 1166 153 139 ASP N N 118.450 0.01 . 1167 154 140 ARG H H 8.461 0.01 . 1168 154 140 ARG HA H 4.671 0.01 . 1169 154 140 ARG HB2 H 1.558 0.01 . 1170 154 140 ARG HB3 H 1.736 0.01 . 1171 154 140 ARG HG2 H 1.401 0.01 . 1172 154 140 ARG HG3 H 1.522 0.01 . 1173 154 140 ARG HD2 H 3.066 0.01 . 1174 154 140 ARG HD3 H 3.195 0.01 . 1175 154 140 ARG C C 176.270 0.01 . 1176 154 140 ARG CA C 55.970 0.01 . 1177 154 140 ARG CB C 29.290 0.01 . 1178 154 140 ARG N N 125.660 0.01 . 1179 155 141 ILE H H 8.199 0.01 . 1180 155 141 ILE HA H 4.029 0.01 . 1181 155 141 ILE HB H 1.820 0.01 . 1182 155 141 ILE HG12 H 1.250 0.01 . 1183 155 141 ILE HG13 H 1.280 0.01 . 1184 155 141 ILE HG2 H 0.970 0.01 . 1185 155 141 ILE HD1 H 0.850 0.01 . 1186 155 141 ILE C C 176.730 0.01 . 1187 155 141 ILE CA C 63.310 0.01 . 1188 155 141 ILE CB C 37.940 0.01 . 1189 155 141 ILE N N 126.290 0.01 . 1190 156 142 GLU H H 8.380 0.01 . 1191 156 142 GLU HA H 4.663 0.01 . 1192 156 142 GLU HB2 H 2.221 0.01 . 1193 156 142 GLU HB3 H 2.326 0.01 . 1194 156 142 GLU HG2 H 2.437 0.01 . 1195 156 142 GLU HG3 H 2.469 0.01 . 1196 156 142 GLU C C 174.910 0.01 . 1197 156 142 GLU CA C 54.460 0.01 . 1198 156 142 GLU CB C 31.790 0.01 . 1199 156 142 GLU N N 119.650 0.01 . 1200 157 143 PRO HA H 4.120 0.01 . 1201 157 143 PRO HB2 H 2.330 0.01 . 1202 157 143 PRO HB3 H 2.125 0.01 . 1203 157 143 PRO HG2 H 2.224 0.01 . 1204 157 143 PRO HG3 H 2.249 0.01 . 1205 157 143 PRO HD2 H 3.696 0.01 . 1206 157 143 PRO HD3 H 3.806 0.01 . 1207 157 143 PRO C C 177.710 0.01 . 1208 157 143 PRO CA C 66.910 0.01 . 1209 157 143 PRO CB C 31.380 0.01 . 1210 158 144 GLU H H 8.514 0.01 . 1211 158 144 GLU HA H 4.541 0.01 . 1212 158 144 GLU HB2 H 1.943 0.01 . 1213 158 144 GLU HB3 H 1.987 0.01 . 1214 158 144 GLU HG2 H 2.329 0.01 . 1215 158 144 GLU HG3 H 2.457 0.01 . 1216 158 144 GLU C C 174.890 0.01 . 1217 158 144 GLU CA C 57.080 0.01 . 1218 158 144 GLU CB C 30.370 0.01 . 1219 158 144 GLU N N 112.170 0.01 . 1220 159 145 VAL H H 7.489 0.01 . 1221 159 145 VAL HA H 5.244 0.01 . 1222 159 145 VAL HB H 1.703 0.01 . 1223 159 145 VAL HG1 H 0.896 0.01 . 1224 159 145 VAL HG2 H 0.777 0.01 . 1225 159 145 VAL C C 174.260 0.01 . 1226 159 145 VAL CA C 61.870 0.01 . 1227 159 145 VAL CB C 35.240 0.01 . 1228 159 145 VAL N N 118.090 0.01 . 1229 160 146 VAL H H 9.061 0.01 . 1230 160 146 VAL HA H 4.897 0.01 . 1231 160 146 VAL HB H 1.488 0.01 . 1232 160 146 VAL HG1 H 0.334 0.01 . 1233 160 146 VAL HG2 H 0.759 0.01 . 1234 160 146 VAL C C 172.900 0.01 . 1235 160 146 VAL CA C 59.050 0.01 . 1236 160 146 VAL CB C 35.040 0.01 . 1237 160 146 VAL N N 124.000 0.01 . 1238 161 147 GLN H H 8.729 0.01 . 1239 161 147 GLN HA H 5.669 0.01 . 1240 161 147 GLN HB2 H 1.751 0.01 . 1241 161 147 GLN HB3 H 1.967 0.01 . 1242 161 147 GLN HG2 H 2.466 0.01 . 1243 161 147 GLN HG3 H 2.498 0.01 . 1244 161 147 GLN HE21 H 7.507 0.01 . 1245 161 147 GLN HE22 H 6.624 0.01 . 1246 161 147 GLN C C 174.090 0.01 . 1247 161 147 GLN CA C 53.870 0.01 . 1248 161 147 GLN CB C 36.590 0.01 . 1249 161 147 GLN N N 124.850 0.01 . 1250 161 147 GLN NE2 N 111.660 0.01 . 1251 162 148 TRP H H 9.737 0.01 . 1252 162 148 TRP HA H 4.932 0.01 . 1253 162 148 TRP HB2 H 3.051 0.01 . 1254 162 148 TRP HB3 H 3.081 0.01 . 1255 162 148 TRP HD1 H 7.311 0.01 . 1256 162 148 TRP HE1 H 9.727 0.01 . 1257 162 148 TRP HE3 H 7.615 0.01 . 1258 162 148 TRP HZ2 H 7.450 0.01 . 1259 162 148 TRP HZ3 H 6.725 0.01 . 1260 162 148 TRP HH2 H 6.717 0.01 . 1261 162 148 TRP C C 174.970 0.01 . 1262 162 148 TRP CA C 58.980 0.01 . 1263 162 148 TRP CB C 33.210 0.01 . 1264 162 148 TRP N N 125.290 0.01 . 1265 162 148 TRP NE1 N 127.550 0.01 . 1266 163 149 LYS H H 8.607 0.01 . 1267 163 149 LYS HA H 4.949 0.01 . 1268 163 149 LYS HB2 H 1.796 0.01 . 1269 163 149 LYS HB3 H 1.855 0.01 . 1270 163 149 LYS HG2 H 1.400 0.01 . 1271 163 149 LYS HG3 H 1.434 0.01 . 1272 163 149 LYS HD3 H 1.680 0.01 . 1273 163 149 LYS C C 176.600 0.01 . 1274 163 149 LYS CA C 55.380 0.01 . 1275 163 149 LYS CB C 32.200 0.01 . 1276 163 149 LYS N N 124.450 0.01 . 1277 164 150 LEU H H 8.421 0.01 . 1278 164 150 LEU HA H 4.412 0.01 . 1279 164 150 LEU HB2 H 1.449 0.01 . 1280 164 150 LEU HB3 H 1.581 0.01 . 1281 164 150 LEU HG H 1.351 0.01 . 1282 164 150 LEU HD1 H 0.749 0.01 . 1283 164 150 LEU HD2 H 0.723 0.01 . 1284 164 150 LEU C C 176.240 0.01 . 1285 164 150 LEU CA C 55.710 0.01 . 1286 164 150 LEU CB C 42.070 0.01 . 1287 164 150 LEU N N 126.720 0.01 . 1288 165 151 LYS H H 8.478 0.01 . 1289 165 151 LYS HA H 4.567 0.01 . 1290 165 151 LYS HB2 H 1.723 0.01 . 1291 165 151 LYS HB3 H 1.767 0.01 . 1292 165 151 LYS HG2 H 1.569 0.01 . 1293 165 151 LYS HG3 H 1.599 0.01 . 1294 165 151 LYS HD3 H 1.663 0.01 . 1295 165 151 LYS HE3 H 3.060 0.01 . 1296 165 151 LYS C C 174.700 0.01 . 1297 165 151 LYS CA C 54.140 0.01 . 1298 165 151 LYS CB C 33.070 0.01 . 1299 165 151 LYS N N 124.100 0.01 . 1300 166 152 PRO HA H 4.308 0.01 . 1301 166 152 PRO HB2 H 2.203 0.01 . 1302 166 152 PRO HB3 H 1.935 0.01 . 1303 166 152 PRO HG2 H 1.983 0.01 . 1304 166 152 PRO HG3 H 2.113 0.01 . 1305 166 152 PRO HD2 H 3.785 0.01 . 1306 166 152 PRO HD3 H 4.066 0.01 . 1307 166 152 PRO C C 176.680 0.01 . 1308 166 152 PRO CA C 63.570 0.01 . 1309 166 152 PRO CB C 32.940 0.01 . 1310 167 153 GLY H H 7.569 0.01 . 1311 167 153 GLY HA2 H 3.682 0.01 . 1312 167 153 GLY HA3 H 4.301 0.01 . 1313 167 153 GLY C C 173.420 0.01 . 1314 167 153 GLY CA C 46.210 0.01 . 1315 167 153 GLY N N 108.330 0.01 . 1316 168 154 VAL H H 6.866 0.01 . 1317 168 154 VAL HA H 4.788 0.01 . 1318 168 154 VAL HB H 2.246 0.01 . 1319 168 154 VAL HG1 H 0.851 0.01 . 1320 168 154 VAL HG2 H 0.694 0.01 . 1321 168 154 VAL C C 176.480 0.01 . 1322 168 154 VAL CA C 59.050 0.01 . 1323 168 154 VAL CB C 37.200 0.01 . 1324 168 154 VAL N N 109.980 0.01 . 1325 169 155 VAL H H 8.860 0.01 . 1326 169 155 VAL HA H 4.753 0.01 . 1327 169 155 VAL HB H 2.008 0.01 . 1328 169 155 VAL HG1 H 0.902 0.01 . 1329 169 155 VAL HG2 H 0.735 0.01 . 1330 169 155 VAL C C 176.760 0.01 . 1331 169 155 VAL CA C 62.650 0.01 . 1332 169 155 VAL CB C 32.150 0.01 . 1333 169 155 VAL N N 125.260 0.01 . 1334 170 156 SER H H 8.861 0.01 . 1335 170 156 SER HA H 4.986 0.01 . 1336 170 156 SER HB2 H 3.560 0.01 . 1337 170 156 SER HB3 H 3.804 0.01 . 1338 170 156 SER C C 172.580 0.01 . 1339 170 156 SER CA C 59.120 0.01 . 1340 170 156 SER CB C 66.220 0.01 . 1341 170 156 SER N N 124.570 0.01 . 1342 171 157 THR H H 8.426 0.01 . 1343 171 157 THR HA H 4.854 0.01 . 1344 171 157 THR HB H 4.149 0.01 . 1345 171 157 THR HG2 H 1.110 0.01 . 1346 171 157 THR C C 174.240 0.01 . 1347 171 157 THR CA C 60.820 0.01 . 1348 171 157 THR CB C 71.260 0.01 . 1349 171 157 THR N N 114.410 0.01 . 1350 172 158 MET H H 8.340 0.01 . 1351 172 158 MET HA H 4.641 0.01 . 1352 172 158 MET HB2 H 0.319 0.01 . 1353 172 158 MET HB3 H 0.709 0.01 . 1354 172 158 MET HG2 H 0.562 0.01 . 1355 172 158 MET HG3 H 0.973 0.01 . 1356 172 158 MET HE H 2.030 0.01 . 1357 172 158 MET C C 174.230 0.01 . 1358 172 158 MET CA C 55.380 0.01 . 1359 172 158 MET CB C 35.690 0.01 . 1360 172 158 MET N N 123.120 0.01 . 1361 173 159 SER H H 8.587 0.01 . 1362 173 159 SER HA H 5.369 0.01 . 1363 173 159 SER HB2 H 3.753 0.01 . 1364 173 159 SER HB3 H 3.784 0.01 . 1365 173 159 SER C C 174.750 0.01 . 1366 173 159 SER CA C 56.890 0.01 . 1367 173 159 SER CB C 65.960 0.01 . 1368 173 159 SER N N 116.190 0.01 . 1369 174 160 ALA H H 9.026 0.01 . 1370 174 160 ALA HA H 5.387 0.01 . 1371 174 160 ALA HB H 1.805 0.01 . 1372 174 160 ALA C C 174.260 0.01 . 1373 174 160 ALA CA C 52.700 0.01 . 1374 174 160 ALA CB C 23.370 0.01 . 1375 174 160 ALA N N 127.330 0.01 . 1376 175 161 GLN H H 8.379 0.01 . 1377 175 161 GLN HA H 5.610 0.01 . 1378 175 161 GLN HB2 H 1.815 0.01 . 1379 175 161 GLN HB3 H 1.978 0.01 . 1380 175 161 GLN HG2 H 2.243 0.01 . 1381 175 161 GLN HG3 H 2.272 0.01 . 1382 175 161 GLN HE21 H 6.721 0.01 . 1383 175 161 GLN HE22 H 7.307 0.01 . 1384 175 161 GLN C C 173.590 0.01 . 1385 175 161 GLN CA C 54.400 0.01 . 1386 175 161 GLN CB C 33.200 0.01 . 1387 175 161 GLN N N 117.210 0.01 . 1388 175 161 GLN NE2 N 110.700 0.01 . 1389 176 162 ALA H H 8.749 0.01 . 1390 176 162 ALA HA H 4.656 0.01 . 1391 176 162 ALA HB H 0.912 0.01 . 1392 176 162 ALA C C 174.200 0.01 . 1393 176 162 ALA CA C 51.710 0.01 . 1394 176 162 ALA CB C 24.360 0.01 . 1395 176 162 ALA N N 122.060 0.01 . 1396 177 163 ARG H H 7.795 0.01 . 1397 177 163 ARG HA H 5.534 0.01 . 1398 177 163 ARG HB2 H 1.606 0.01 . 1399 177 163 ARG HB3 H 1.785 0.01 . 1400 177 163 ARG HG2 H 1.360 0.01 . 1401 177 163 ARG HG3 H 1.543 0.01 . 1402 177 163 ARG HD2 H 3.140 0.01 . 1403 177 163 ARG HD3 H 3.140 0.01 . 1404 177 163 ARG C C 176.370 0.01 . 1405 177 163 ARG CA C 54.660 0.01 . 1406 177 163 ARG CB C 32.610 0.01 . 1407 177 163 ARG N N 119.960 0.01 . 1408 178 164 TYR H H 8.574 0.01 . 1409 178 164 TYR HA H 4.692 0.01 . 1410 178 164 TYR HB2 H 3.013 0.01 . 1411 178 164 TYR HB3 H 3.505 0.01 . 1412 178 164 TYR HD1 H 6.915 0.01 . 1413 178 164 TYR HD2 H 6.915 0.01 . 1414 178 164 TYR HE1 H 6.780 0.01 . 1415 178 164 TYR HE2 H 6.780 0.01 . 1416 178 164 TYR C C 173.740 0.01 . 1417 178 164 TYR CA C 58.260 0.01 . 1418 178 164 TYR CB C 37.850 0.01 . 1419 178 164 TYR N N 121.900 0.01 . 1420 179 165 THR H H 8.254 0.01 . 1421 179 165 THR HA H 3.723 0.01 . 1422 179 165 THR HB H 3.872 0.01 . 1423 179 165 THR HG2 H 1.151 0.01 . 1424 179 165 THR C C 173.170 0.01 . 1425 179 165 THR CA C 63.770 0.01 . 1426 179 165 THR CB C 70.610 0.01 . 1427 179 165 THR N N 116.560 0.01 . 1428 180 166 ASP H H 8.175 0.01 . 1429 180 166 ASP HA H 4.296 0.01 . 1430 180 166 ASP HB2 H 2.591 0.01 . 1431 180 166 ASP HB3 H 2.820 0.01 . 1432 180 166 ASP C C 175.690 0.01 . 1433 180 166 ASP CA C 51.910 0.01 . 1434 180 166 ASP CB C 41.980 0.01 . 1435 180 166 ASP N N 125.790 0.01 . 1436 181 167 PRO HA H 4.337 0.01 . 1437 181 167 PRO HB2 H 2.028 0.01 . 1438 181 167 PRO HB3 H 1.746 0.01 . 1439 181 167 PRO HG2 H 1.871 0.01 . 1440 181 167 PRO HG3 H 1.903 0.01 . 1441 181 167 PRO HD2 H 3.780 0.01 . 1442 181 167 PRO HD3 H 3.991 0.01 . 1443 181 167 PRO C C 177.880 0.01 . 1444 181 167 PRO CA C 64.490 0.01 . 1445 181 167 PRO CB C 32.220 0.01 . 1446 182 168 ASN H H 8.539 0.01 . 1447 182 168 ASN HA H 4.651 0.01 . 1448 182 168 ASN HB2 H 2.734 0.01 . 1449 182 168 ASN HB3 H 2.780 0.01 . 1450 182 168 ASN HD21 H 7.019 0.01 . 1451 182 168 ASN HD22 H 8.065 0.01 . 1452 182 168 ASN C C 175.950 0.01 . 1453 182 168 ASN CA C 54.590 0.01 . 1454 182 168 ASN CB C 39.030 0.01 . 1455 182 168 ASN N N 117.380 0.01 . 1456 182 168 ASN ND2 N 115.750 0.01 . 1457 183 169 THR H H 7.733 0.01 . 1458 183 169 THR HA H 4.313 0.01 . 1459 183 169 THR HB H 4.249 0.01 . 1460 183 169 THR HG2 H 1.162 0.01 . 1461 183 169 THR C C 174.800 0.01 . 1462 183 169 THR CA C 62.520 0.01 . 1463 183 169 THR CB C 70.020 0.01 . 1464 183 169 THR N N 112.320 0.01 . 1465 184 170 ARG H H 7.902 0.01 . 1466 184 170 ARG HA H 4.378 0.01 . 1467 184 170 ARG HB2 H 1.772 0.01 . 1468 184 170 ARG HB3 H 1.898 0.01 . 1469 184 170 ARG HG2 H 1.623 0.01 . 1470 184 170 ARG HG3 H 1.654 0.01 . 1471 184 170 ARG HD2 H 3.192 0.01 . 1472 184 170 ARG HD3 H 3.212 0.01 . 1473 184 170 ARG N N 123.680 0.01 . 1474 185 171 SER H H 7.981 0.01 . 1475 185 171 SER HA H 4.249 0.01 . 1476 185 171 SER HB2 H 3.806 0.01 . 1477 185 171 SER HB3 H 3.832 0.01 . 1478 185 171 SER N N 123.010 0.01 . stop_ save_