data_28006 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Aliphatic Side-chain 1H, 13C, and 15N Chemical Shift Assignments for cytoplasmic domain of MapZ protein ; _BMRB_accession_number 28006 _BMRB_flat_file_name bmr28006.str _Entry_type original _Submission_date 2019-08-22 _Accession_date 2019-08-22 _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 Hosek Tomas . . 2 Bougault Catherine M. . 3 Simorre Jean-Pierre . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 857 "13C chemical shifts" 666 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-03 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 28005 'MapZcyto-2TE monomer' stop_ _Original_release_date 2019-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural features of the interaction of MapZ with FtsZ and membranes in Streptococcus pneumoniae ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32132631 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hosek Tomas . . 2 Bougault Catherine M. . 3 Lavergne Jean-Pierre . . 4 Martinez Denis . . 5 Ayala Isabel . . 6 Fenel Daphna . . 7 Restelli Marine . . 8 Morlot Cecile . . 9 Habenstein Birgit . . 10 Grangeasse Christophe . . 11 Simorre Jean-Pierre . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4051 _Page_last 4051 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MapZcyto-WT monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cytoplasmic domain' $MapZcyto-WT stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MapZcyto-WT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MapZcyto-WT _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 168 _Mol_residue_sequence ; MSKKRRNRHKKEAQEPQFDF DEAKELTVGQAIRKNEEVEA GVLPEDSILDKYVKQHRDEI EADKFATRQYKKEEFVETQS LDDLIQEMREAVEKSEASSE EVPSSEDILLPLPLDDEEQG LDPLLLDDENPTEMTEEVEE EQNLSRLDQEDSEKKSKKGL QGENLYFQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 LYS 4 LYS 5 ARG 6 ARG 7 ASN 8 ARG 9 HIS 10 LYS 11 LYS 12 GLU 13 ALA 14 GLN 15 GLU 16 PRO 17 GLN 18 PHE 19 ASP 20 PHE 21 ASP 22 GLU 23 ALA 24 LYS 25 GLU 26 LEU 27 THR 28 VAL 29 GLY 30 GLN 31 ALA 32 ILE 33 ARG 34 LYS 35 ASN 36 GLU 37 GLU 38 VAL 39 GLU 40 ALA 41 GLY 42 VAL 43 LEU 44 PRO 45 GLU 46 ASP 47 SER 48 ILE 49 LEU 50 ASP 51 LYS 52 TYR 53 VAL 54 LYS 55 GLN 56 HIS 57 ARG 58 ASP 59 GLU 60 ILE 61 GLU 62 ALA 63 ASP 64 LYS 65 PHE 66 ALA 67 THR 68 ARG 69 GLN 70 TYR 71 LYS 72 LYS 73 GLU 74 GLU 75 PHE 76 VAL 77 GLU 78 THR 79 GLN 80 SER 81 LEU 82 ASP 83 ASP 84 LEU 85 ILE 86 GLN 87 GLU 88 MET 89 ARG 90 GLU 91 ALA 92 VAL 93 GLU 94 LYS 95 SER 96 GLU 97 ALA 98 SER 99 SER 100 GLU 101 GLU 102 VAL 103 PRO 104 SER 105 SER 106 GLU 107 ASP 108 ILE 109 LEU 110 LEU 111 PRO 112 LEU 113 PRO 114 LEU 115 ASP 116 ASP 117 GLU 118 GLU 119 GLN 120 GLY 121 LEU 122 ASP 123 PRO 124 LEU 125 LEU 126 LEU 127 ASP 128 ASP 129 GLU 130 ASN 131 PRO 132 THR 133 GLU 134 MET 135 THR 136 GLU 137 GLU 138 VAL 139 GLU 140 GLU 141 GLU 142 GLN 143 ASN 144 LEU 145 SER 146 ARG 147 LEU 148 ASP 149 GLN 150 GLU 151 ASP 152 SER 153 GLU 154 LYS 155 LYS 156 SER 157 LYS 158 LYS 159 GLY 160 LEU 161 GLN 162 GLY 163 GLU 164 ASN 165 LEU 166 TYR 167 PHE 168 GLN 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 $MapZcyto-WT 'Streptococcus pneumoniae' 1313 Bacteria . Streptococcus pneumoniae 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 $MapZcyto-WT 'recombinant technology' . Escherichia coli . pEtPhos 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 $MapZcyto-WT 0.2 mM '[U-99% 13C; U-99% 15N]' HEPES 30 mM 'natural abundance' 'potassium chloride' 200 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_BEST-TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N BEST-TROSY' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_iHNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY iHNCACB' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HNCO' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY HN(CA)CO' _Sample_label $sample_1 save_ save_3D_BEST-TROSY_H(NCACO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D BEST-TROSY H(NCACO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 0.2 . M pH 7.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N BEST-TROSY' '3D BEST-TROSY iHNCACB' '3D BEST-TROSY HN(CO)CACB' '3D BEST-TROSY HNCO' '3D BEST-TROSY HN(CA)CO' '3D BEST-TROSY H(NCACO)NH' '2D 1H-13C HSQC' '3D HCCH-TOCSY' 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 'cytoplasmic domain' _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 3 3 LYS HA H 4.337 0.000 1 2 3 3 LYS HB2 H 1.773 0.000 2 3 3 3 LYS HB3 H 1.758 0.000 2 4 3 3 LYS HG2 H 1.433 0.000 2 5 3 3 LYS HG3 H 1.438 0.000 2 6 3 3 LYS C C 176.748 0.001 1 7 3 3 LYS CA C 56.485 0.003 1 8 3 3 LYS CB C 33.158 0.010 1 9 3 3 LYS CG C 24.830 0.000 1 10 3 3 LYS CD C 29.138 0.000 1 11 3 3 LYS CE C 42.131 0.000 1 12 4 4 LYS H H 8.507 0.002 1 13 4 4 LYS HA H 4.275 0.000 1 14 4 4 LYS HB2 H 1.734 0.000 2 15 4 4 LYS HB3 H 1.744 0.000 2 16 4 4 LYS HG2 H 1.415 0.000 2 17 4 4 LYS HG3 H 1.422 0.000 2 18 4 4 LYS C C 176.636 0.009 1 19 4 4 LYS CA C 56.390 0.016 1 20 4 4 LYS CB C 32.974 0.048 1 21 4 4 LYS CG C 24.745 0.000 1 22 4 4 LYS CD C 29.047 0.000 1 23 4 4 LYS CE C 42.281 0.000 1 24 4 4 LYS N N 123.037 0.004 1 25 5 5 ARG H H 8.523 0.003 1 26 5 5 ARG C C 176.366 0.000 1 27 5 5 ARG CA C 56.137 0.000 1 28 5 5 ARG CB C 30.944 0.000 1 29 5 5 ARG N N 123.380 0.018 1 30 9 9 HIS HA H 4.576 0.000 1 31 9 9 HIS HB2 H 3.050 0.000 2 32 9 9 HIS HB3 H 3.081 0.000 2 33 9 9 HIS C C 175.530 0.002 1 34 9 9 HIS CA C 56.451 0.014 1 35 9 9 HIS CB C 31.027 0.030 1 36 10 10 LYS H H 8.250 0.002 1 37 10 10 LYS HA H 4.247 0.000 1 38 10 10 LYS HB2 H 1.735 0.000 2 39 10 10 LYS HB3 H 1.755 0.000 2 40 10 10 LYS HG2 H 1.342 0.000 2 41 10 10 LYS HG3 H 1.357 0.000 2 42 10 10 LYS HE2 H 2.955 0.000 1 43 10 10 LYS C C 176.399 0.006 1 44 10 10 LYS CA C 56.408 0.018 1 45 10 10 LYS CB C 33.103 0.035 1 46 10 10 LYS CG C 24.646 0.000 1 47 10 10 LYS CD C 28.958 0.000 1 48 10 10 LYS CE C 42.447 0.000 1 49 10 10 LYS N N 123.039 0.010 1 50 11 11 LYS H H 8.635 0.003 1 51 11 11 LYS HA H 4.254 0.000 1 52 11 11 LYS HB2 H 1.792 0.000 2 53 11 11 LYS HB3 H 1.776 0.000 2 54 11 11 LYS HG2 H 1.410 0.000 2 55 11 11 LYS HG3 H 1.423 0.000 2 56 11 11 LYS HE2 H 2.965 0.000 1 57 11 11 LYS C C 176.766 0.005 1 58 11 11 LYS CA C 56.574 0.024 1 59 11 11 LYS CB C 32.891 0.036 1 60 11 11 LYS CG C 24.711 0.000 1 61 11 11 LYS CD C 29.305 0.000 1 62 11 11 LYS CE C 42.156 0.000 1 63 11 11 LYS N N 123.424 0.009 1 64 12 12 GLU H H 8.577 0.001 1 65 12 12 GLU HA H 4.242 0.000 1 66 12 12 GLU HB2 H 2.053 0.000 2 67 12 12 GLU HB3 H 1.910 0.000 2 68 12 12 GLU HG2 H 2.280 0.000 2 69 12 12 GLU HG3 H 2.260 0.000 2 70 12 12 GLU C C 176.308 0.004 1 71 12 12 GLU CA C 56.487 0.015 1 72 12 12 GLU CB C 30.152 0.057 1 73 12 12 GLU CG C 36.232 0.000 1 74 12 12 GLU N N 122.408 0.010 1 75 13 13 ALA H H 8.432 0.001 1 76 13 13 ALA HA H 4.243 0.000 1 77 13 13 ALA HB H 1.373 0.000 1 78 13 13 ALA C C 177.569 0.006 1 79 13 13 ALA CA C 52.629 0.007 1 80 13 13 ALA CB C 19.221 0.011 1 81 13 13 ALA N N 124.845 0.007 1 82 14 14 GLN H H 8.414 0.002 1 83 14 14 GLN HA H 4.296 0.000 1 84 14 14 GLN HB2 H 2.073 0.000 2 85 14 14 GLN HB3 H 1.955 0.000 2 86 14 14 GLN HG2 H 2.352 0.000 2 87 14 14 GLN HG3 H 2.334 0.000 2 88 14 14 GLN C C 175.828 0.007 1 89 14 14 GLN CA C 55.409 0.075 1 90 14 14 GLN CB C 29.579 0.040 1 91 14 14 GLN CG C 33.710 0.000 1 92 14 14 GLN N N 119.196 0.009 1 93 15 15 GLU H H 8.498 0.001 1 94 15 15 GLU C C 174.536 0.000 1 95 15 15 GLU CA C 54.550 0.000 1 96 15 15 GLU CB C 29.779 0.000 1 97 15 15 GLU N N 123.694 0.008 1 98 16 16 PRO HA H 4.296 0.000 1 99 16 16 PRO HB2 H 1.992 0.000 2 100 16 16 PRO HB3 H 2.008 0.000 2 101 16 16 PRO HG2 H 1.758 0.000 2 102 16 16 PRO HG3 H 1.746 0.000 2 103 16 16 PRO HD2 H 3.671 0.000 2 104 16 16 PRO HD3 H 3.704 0.000 2 105 16 16 PRO C C 176.646 0.004 1 106 16 16 PRO CA C 63.251 0.013 1 107 16 16 PRO CB C 32.047 0.030 1 108 16 16 PRO CG C 27.465 0.000 1 109 16 16 PRO CD C 50.548 0.000 1 110 17 17 GLN H H 8.561 0.001 1 111 17 17 GLN HA H 4.218 0.000 1 112 17 17 GLN HB2 H 1.934 0.000 2 113 17 17 GLN HB3 H 1.887 0.000 2 114 17 17 GLN HG2 H 2.195 0.000 2 115 17 17 GLN HG3 H 2.216 0.000 2 116 17 17 GLN C C 175.582 0.004 1 117 17 17 GLN CA C 55.511 0.027 1 118 17 17 GLN CB C 29.637 0.026 1 119 17 17 GLN CG C 33.518 0.000 1 120 17 17 GLN N N 120.540 0.009 1 121 18 18 PHE H H 8.307 0.001 1 122 18 18 PHE HA H 4.594 0.000 1 123 18 18 PHE HB2 H 3.015 0.000 2 124 18 18 PHE HB3 H 2.849 0.000 2 125 18 18 PHE C C 175.116 0.006 1 126 18 18 PHE CA C 57.447 0.023 1 127 18 18 PHE CB C 39.978 0.017 1 128 18 18 PHE N N 121.350 0.006 1 129 19 19 ASP H H 8.344 0.001 1 130 19 19 ASP HA H 4.560 0.000 1 131 19 19 ASP HB2 H 2.574 0.000 2 132 19 19 ASP HB3 H 2.510 0.000 2 133 19 19 ASP C C 175.719 0.006 1 134 19 19 ASP CA C 53.993 0.081 1 135 19 19 ASP CB C 41.144 0.008 1 136 19 19 ASP N N 122.092 0.008 1 137 20 20 PHE H H 8.209 0.002 1 138 20 20 PHE HA H 4.509 0.000 1 139 20 20 PHE HB2 H 3.050 0.000 2 140 20 20 PHE HB3 H 3.100 0.000 2 141 20 20 PHE C C 175.550 0.006 1 142 20 20 PHE CA C 58.151 0.094 1 143 20 20 PHE CB C 39.625 0.040 1 144 20 20 PHE N N 121.152 0.014 1 145 21 21 ASP H H 8.398 0.001 1 146 21 21 ASP HA H 4.553 0.000 1 147 21 21 ASP HB2 H 2.568 0.000 2 148 21 21 ASP HB3 H 2.666 0.000 2 149 21 21 ASP C C 176.367 0.013 1 150 21 21 ASP CA C 54.257 0.013 1 151 21 21 ASP CB C 41.190 0.002 1 152 21 21 ASP N N 122.402 0.008 1 153 22 22 GLU H H 8.394 0.001 1 154 22 22 GLU HA H 4.104 0.000 1 155 22 22 GLU HB2 H 1.964 0.000 2 156 22 22 GLU HB3 H 2.006 0.000 2 157 22 22 GLU HG2 H 2.242 0.000 2 158 22 22 GLU HG3 H 2.262 0.000 2 159 22 22 GLU C C 176.628 0.001 1 160 22 22 GLU CA C 57.190 0.007 1 161 22 22 GLU CB C 30.140 0.045 1 162 22 22 GLU CG C 36.272 0.000 1 163 22 22 GLU N N 122.536 0.014 1 164 23 23 ALA H H 8.358 0.001 1 165 23 23 ALA HA H 4.236 0.000 1 166 23 23 ALA HB H 1.382 0.000 1 167 23 23 ALA C C 178.211 0.005 1 168 23 23 ALA CA C 52.872 0.018 1 169 23 23 ALA CB C 18.780 0.021 1 170 23 23 ALA N N 124.093 0.008 1 171 24 24 LYS H H 8.102 0.001 1 172 24 24 LYS HA H 4.222 0.000 1 173 24 24 LYS HB2 H 1.793 0.000 2 174 24 24 LYS HB3 H 1.768 0.000 2 175 24 24 LYS HG2 H 1.395 0.000 2 176 24 24 LYS HG3 H 1.411 0.000 2 177 24 24 LYS HD2 H 1.657 0.000 2 178 24 24 LYS HD3 H 1.627 0.000 2 179 24 24 LYS HE2 H 2.954 0.000 2 180 24 24 LYS HE3 H 2.973 0.000 2 181 24 24 LYS C C 176.939 0.005 1 182 24 24 LYS CA C 56.545 0.031 1 183 24 24 LYS CB C 32.971 0.031 1 184 24 24 LYS CG C 24.713 0.000 1 185 24 24 LYS CD C 28.871 0.000 1 186 24 24 LYS CE C 42.321 0.000 1 187 24 24 LYS N N 120.282 0.011 1 188 25 25 GLU H H 8.391 0.002 1 189 25 25 GLU HA H 4.225 0.000 1 190 25 25 GLU HB2 H 1.960 0.000 2 191 25 25 GLU HB3 H 1.980 0.000 2 192 25 25 GLU HG2 H 2.235 0.000 2 193 25 25 GLU HG3 H 2.264 0.000 2 194 25 25 GLU C C 176.687 0.004 1 195 25 25 GLU CA C 56.675 0.029 1 196 25 25 GLU CB C 30.063 0.013 1 197 25 25 GLU CG C 36.158 0.000 1 198 25 25 GLU N N 121.382 0.010 1 199 26 26 LEU H H 8.357 0.001 1 200 26 26 LEU HA H 4.382 0.000 1 201 26 26 LEU HB2 H 1.665 0.000 2 202 26 26 LEU HB3 H 1.639 0.000 2 203 26 26 LEU HG H 1.563 0.000 1 204 26 26 LEU HD1 H 0.873 0.000 2 205 26 26 LEU HD2 H 0.889 0.000 2 206 26 26 LEU C C 177.820 0.004 1 207 26 26 LEU CA C 55.301 0.027 1 208 26 26 LEU CB C 42.285 0.012 1 209 26 26 LEU CG C 26.793 0.000 1 210 26 26 LEU CD1 C 24.870 0.000 2 211 26 26 LEU CD2 C 23.342 0.000 2 212 26 26 LEU N N 123.142 0.007 1 213 27 27 THR H H 8.252 0.002 1 214 27 27 THR HA H 4.258 0.000 1 215 27 27 THR HB H 4.181 0.000 1 216 27 27 THR HG2 H 1.188 0.000 1 217 27 27 THR C C 174.836 0.003 1 218 27 27 THR CA C 61.970 0.049 1 219 27 27 THR CB C 69.841 0.039 1 220 27 27 THR CG2 C 21.806 0.000 1 221 27 27 THR N N 115.456 0.005 1 222 28 28 VAL H H 8.291 0.002 1 223 28 28 VAL HA H 4.066 0.000 1 224 28 28 VAL HB H 2.066 0.000 1 225 28 28 VAL HG1 H 0.940 0.000 2 226 28 28 VAL HG2 H 0.977 0.000 2 227 28 28 VAL C C 177.005 0.010 1 228 28 28 VAL CA C 62.988 0.002 1 229 28 28 VAL CB C 32.608 0.051 1 230 28 28 VAL CG1 C 21.138 0.000 2 231 28 28 VAL CG2 C 20.743 0.000 2 232 28 28 VAL N N 122.961 0.008 1 233 29 29 GLY H H 8.629 0.002 1 234 29 29 GLY HA2 H 3.949 0.000 2 235 29 29 GLY HA3 H 3.906 0.000 2 236 29 29 GLY C C 174.344 0.005 1 237 29 29 GLY CA C 45.342 0.026 1 238 29 29 GLY N N 112.499 0.010 1 239 30 30 GLN H H 8.230 0.002 1 240 30 30 GLN HA H 4.270 0.000 1 241 30 30 GLN HB2 H 2.011 0.000 2 242 30 30 GLN HB3 H 2.071 0.000 2 243 30 30 GLN HG2 H 2.341 0.000 2 244 30 30 GLN HG3 H 2.357 0.000 2 245 30 30 GLN C C 175.973 0.007 1 246 30 30 GLN CA C 55.833 0.011 1 247 30 30 GLN CB C 29.594 0.023 1 248 30 30 GLN CG C 33.735 0.000 1 249 30 30 GLN N N 120.040 0.007 1 250 31 31 ALA H H 8.448 0.001 1 251 31 31 ALA HA H 4.274 0.000 1 252 31 31 ALA HB H 1.362 0.000 1 253 31 31 ALA C C 177.848 0.008 1 254 31 31 ALA CA C 52.665 0.020 1 255 31 31 ALA CB C 19.004 0.007 1 256 31 31 ALA N N 125.470 0.006 1 257 32 32 ILE H H 8.235 0.001 1 258 32 32 ILE HA H 4.068 0.000 1 259 32 32 ILE HB H 1.826 0.000 1 260 32 32 ILE HG12 H 1.173 0.000 2 261 32 32 ILE HG13 H 1.497 0.000 2 262 32 32 ILE HG2 H 0.865 0.000 1 263 32 32 ILE HD1 H 0.883 0.000 1 264 32 32 ILE C C 176.505 0.007 1 265 32 32 ILE CA C 61.276 0.021 1 266 32 32 ILE CB C 38.565 0.066 1 267 32 32 ILE CG1 C 27.445 0.000 1 268 32 32 ILE CG2 C 17.440 0.000 1 269 32 32 ILE CD1 C 12.585 0.000 1 270 32 32 ILE N N 120.850 0.012 1 271 33 33 ARG H H 8.483 0.001 1 272 33 33 ARG HA H 4.311 0.000 1 273 33 33 ARG HB2 H 1.787 0.000 2 274 33 33 ARG HB3 H 1.771 0.000 2 275 33 33 ARG HG2 H 1.605 0.000 2 276 33 33 ARG HG3 H 1.622 0.000 2 277 33 33 ARG HD2 H 3.177 0.000 2 278 33 33 ARG HD3 H 3.196 0.000 2 279 33 33 ARG C C 176.303 0.016 1 280 33 33 ARG CA C 56.079 0.037 1 281 33 33 ARG CB C 30.775 0.038 1 282 33 33 ARG CG C 27.085 0.000 1 283 33 33 ARG CD C 43.105 0.000 1 284 33 33 ARG N N 126.017 0.012 1 285 34 34 LYS H H 8.562 0.001 1 286 34 34 LYS HA H 4.255 0.000 1 287 34 34 LYS HB2 H 1.782 0.000 2 288 34 34 LYS HB3 H 1.758 0.000 2 289 34 34 LYS HG2 H 1.398 0.000 2 290 34 34 LYS HG3 H 1.419 0.000 2 291 34 34 LYS HD2 H 1.668 0.000 2 292 34 34 LYS HD3 H 1.690 0.000 2 293 34 34 LYS C C 176.505 0.009 1 294 34 34 LYS CA C 56.484 0.029 1 295 34 34 LYS CB C 33.092 0.034 1 296 34 34 LYS CG C 24.657 0.000 1 297 34 34 LYS CD C 29.077 0.000 1 298 34 34 LYS CE C 42.071 0.000 1 299 34 34 LYS N N 123.680 0.008 1 300 35 35 ASN H H 8.634 0.002 1 301 35 35 ASN HA H 4.634 0.000 1 302 35 35 ASN HB2 H 2.764 0.000 2 303 35 35 ASN HB3 H 2.818 0.000 2 304 35 35 ASN C C 175.425 0.006 1 305 35 35 ASN CA C 53.708 0.060 1 306 35 35 ASN CB C 38.660 0.017 1 307 35 35 ASN N N 120.258 0.008 1 308 36 36 GLU H H 8.555 0.001 1 309 36 36 GLU HA H 4.255 0.000 1 310 36 36 GLU HB2 H 2.070 0.000 2 311 36 36 GLU HB3 H 1.916 0.000 2 312 36 36 GLU HG2 H 2.268 0.000 2 313 36 36 GLU HG3 H 2.225 0.000 2 314 36 36 GLU C C 176.614 0.007 1 315 36 36 GLU CA C 56.714 0.005 1 316 36 36 GLU CB C 30.140 0.035 1 317 36 36 GLU CG C 36.258 0.000 1 318 36 36 GLU N N 121.218 0.015 1 319 37 37 GLU H H 8.433 0.001 1 320 37 37 GLU HA H 4.266 0.000 1 321 37 37 GLU HB2 H 1.979 0.000 2 322 37 37 GLU HB3 H 1.999 0.000 2 323 37 37 GLU HG2 H 2.271 0.000 2 324 37 37 GLU HG3 H 2.242 0.000 2 325 37 37 GLU C C 176.698 0.004 1 326 37 37 GLU CA C 56.662 0.008 1 327 37 37 GLU CB C 30.162 0.054 1 328 37 37 GLU CG C 36.311 0.000 1 329 37 37 GLU N N 121.837 0.005 1 330 38 38 VAL H H 8.250 0.001 1 331 38 38 VAL HA H 4.060 0.000 1 332 38 38 VAL HB H 2.050 0.000 1 333 38 38 VAL HG1 H 0.909 0.000 2 334 38 38 VAL HG2 H 0.944 0.000 2 335 38 38 VAL C C 176.475 0.004 1 336 38 38 VAL CA C 62.419 0.004 1 337 38 38 VAL CB C 32.873 0.026 1 338 38 38 VAL CG1 C 21.198 0.000 2 339 38 38 VAL CG2 C 20.712 0.000 2 340 38 38 VAL N N 121.482 0.009 1 341 39 39 GLU H H 8.584 0.001 1 342 39 39 GLU HA H 4.222 0.000 1 343 39 39 GLU HB2 H 1.938 0.000 2 344 39 39 GLU HB3 H 1.973 0.000 2 345 39 39 GLU HG2 H 2.246 0.000 2 346 39 39 GLU HG3 H 2.272 0.000 2 347 39 39 GLU C C 176.223 0.007 1 348 39 39 GLU CA C 56.519 0.013 1 349 39 39 GLU CB C 30.161 0.054 1 350 39 39 GLU CG C 36.250 0.000 1 351 39 39 GLU N N 125.189 0.006 1 352 40 40 ALA H H 8.486 0.001 1 353 40 40 ALA HA H 4.272 0.000 1 354 40 40 ALA HB H 1.400 0.000 1 355 40 40 ALA C C 178.393 0.004 1 356 40 40 ALA CA C 52.793 0.007 1 357 40 40 ALA CB C 19.230 0.015 1 358 40 40 ALA N N 125.761 0.007 1 359 41 41 GLY H H 8.478 0.001 1 360 41 41 GLY HA2 H 3.908 0.000 2 361 41 41 GLY HA3 H 3.935 0.000 2 362 41 41 GLY C C 173.868 0.004 1 363 41 41 GLY CA C 45.187 0.004 1 364 41 41 GLY N N 108.520 0.006 1 365 42 42 VAL H H 8.011 0.002 1 366 42 42 VAL HA H 4.086 0.000 1 367 42 42 VAL HB H 2.024 0.000 1 368 42 42 VAL HG1 H 0.883 0.000 2 369 42 42 VAL HG2 H 0.907 0.000 2 370 42 42 VAL C C 176.266 0.005 1 371 42 42 VAL CA C 62.117 0.014 1 372 42 42 VAL CB C 32.751 0.037 1 373 42 42 VAL CG1 C 21.178 0.000 2 374 42 42 VAL CG2 C 20.691 0.000 2 375 42 42 VAL N N 119.867 0.006 1 376 43 43 LEU H H 8.638 0.001 1 377 43 43 LEU C C 175.480 0.000 1 378 43 43 LEU CA C 52.867 0.000 1 379 43 43 LEU CB C 41.434 0.000 1 380 43 43 LEU N N 128.520 0.011 1 381 44 44 PRO HA H 4.380 0.000 1 382 44 44 PRO HB2 H 2.028 0.000 2 383 44 44 PRO HB3 H 2.309 0.000 2 384 44 44 PRO HG2 H 1.931 0.000 2 385 44 44 PRO HG3 H 1.915 0.000 2 386 44 44 PRO HD2 H 3.661 0.000 2 387 44 44 PRO HD3 H 3.873 0.000 2 388 44 44 PRO C C 177.448 0.004 1 389 44 44 PRO CA C 63.308 0.003 1 390 44 44 PRO CB C 32.061 0.011 1 391 44 44 PRO CG C 27.430 0.000 1 392 44 44 PRO CD C 50.525 0.000 1 393 45 45 GLU H H 8.774 0.001 1 394 45 45 GLU HA H 4.197 0.000 1 395 45 45 GLU HB2 H 1.970 0.000 2 396 45 45 GLU HB3 H 1.994 0.000 2 397 45 45 GLU HG2 H 2.256 0.000 2 398 45 45 GLU HG3 H 2.284 0.000 2 399 45 45 GLU C C 176.612 0.004 1 400 45 45 GLU CA C 56.996 0.035 1 401 45 45 GLU CB C 30.007 0.043 1 402 45 45 GLU CG C 36.250 0.000 1 403 45 45 GLU N N 120.663 0.016 1 404 46 46 ASP H H 8.396 0.002 1 405 46 46 ASP HA H 4.600 0.000 1 406 46 46 ASP HB2 H 2.648 0.000 2 407 46 46 ASP HB3 H 2.685 0.000 2 408 46 46 ASP C C 176.528 0.009 1 409 46 46 ASP CA C 54.692 0.021 1 410 46 46 ASP CB C 41.099 0.005 1 411 46 46 ASP N N 121.187 0.017 1 412 47 47 SER H H 8.290 0.002 1 413 47 47 SER HB2 H 3.860 0.000 2 414 47 47 SER HB3 H 3.893 0.000 2 415 47 47 SER C C 174.954 0.013 1 416 47 47 SER CA C 58.635 0.002 1 417 47 47 SER CB C 63.836 0.028 1 418 47 47 SER N N 116.184 0.020 1 419 48 48 ILE H H 8.216 0.001 1 420 48 48 ILE HA H 4.114 0.000 1 421 48 48 ILE HB H 1.915 0.000 1 422 48 48 ILE HG12 H 1.468 0.000 2 423 48 48 ILE HG13 H 1.210 0.000 2 424 48 48 ILE HG2 H 0.881 0.000 1 425 48 48 ILE HD1 H 0.912 0.000 1 426 48 48 ILE C C 176.778 0.008 1 427 48 48 ILE CA C 61.895 0.003 1 428 48 48 ILE CB C 38.280 0.055 1 429 48 48 ILE CG1 C 27.488 0.000 1 430 48 48 ILE CG2 C 17.483 0.000 1 431 48 48 ILE N N 122.512 0.011 1 432 49 49 LEU H H 8.215 0.001 1 433 49 49 LEU HA H 4.298 0.000 1 434 49 49 LEU HB2 H 1.601 0.000 2 435 49 49 LEU HB3 H 1.636 0.000 2 436 49 49 LEU HG H 1.564 0.000 1 437 49 49 LEU HD1 H 0.874 0.000 2 438 49 49 LEU HD2 H 0.909 0.000 2 439 49 49 LEU C C 177.540 0.003 1 440 49 49 LEU CA C 55.637 0.039 1 441 49 49 LEU CB C 42.091 0.032 1 442 49 49 LEU CG C 26.939 0.000 1 443 49 49 LEU CD1 C 24.669 0.000 2 444 49 49 LEU CD2 C 23.570 0.000 2 445 49 49 LEU N N 124.644 0.010 1 446 50 50 ASP H H 8.249 0.002 1 447 50 50 ASP HA H 4.511 0.000 1 448 50 50 ASP HB2 H 2.630 0.000 2 449 50 50 ASP HB3 H 2.669 0.000 2 450 50 50 ASP C C 176.787 0.009 1 451 50 50 ASP CA C 54.995 0.022 1 452 50 50 ASP CB C 41.097 0.022 1 453 50 50 ASP N N 120.837 0.013 1 454 51 51 LYS H H 8.150 0.002 1 455 51 51 LYS HA H 4.104 0.000 1 456 51 51 LYS HB2 H 1.712 0.000 2 457 51 51 LYS HB3 H 1.693 0.000 2 458 51 51 LYS HG2 H 1.230 0.000 2 459 51 51 LYS HG3 H 1.206 0.000 2 460 51 51 LYS HD2 H 1.602 0.000 2 461 51 51 LYS HD3 H 1.587 0.000 2 462 51 51 LYS HE2 H 2.924 0.000 2 463 51 51 LYS HE3 H 2.898 0.000 2 464 51 51 LYS C C 176.893 0.007 1 465 51 51 LYS CA C 57.303 0.028 1 466 51 51 LYS CB C 32.651 0.042 1 467 51 51 LYS CG C 24.486 0.000 1 468 51 51 LYS CD C 29.181 0.000 1 469 51 51 LYS CE C 41.552 0.000 1 470 51 51 LYS N N 120.741 0.010 1 471 52 52 TYR H H 8.210 0.002 1 472 52 52 TYR HA H 4.486 0.000 1 473 52 52 TYR HB2 H 3.020 0.000 2 474 52 52 TYR HB3 H 3.047 0.000 2 475 52 52 TYR C C 176.325 0.006 1 476 52 52 TYR CA C 58.673 0.024 1 477 52 52 TYR CB C 38.382 0.020 1 478 52 52 TYR N N 120.612 0.006 1 479 53 53 VAL H H 7.996 0.003 1 480 53 53 VAL HA H 3.894 0.000 1 481 53 53 VAL HB H 2.001 0.000 1 482 53 53 VAL HG1 H 0.909 0.000 2 483 53 53 VAL HG2 H 0.941 0.000 2 484 53 53 VAL C C 176.391 0.012 1 485 53 53 VAL CA C 63.187 0.017 1 486 53 53 VAL CB C 32.671 0.022 1 487 53 53 VAL CG1 C 21.520 0.000 2 488 53 53 VAL CG2 C 21.045 0.000 2 489 53 53 VAL N N 122.734 0.016 1 490 54 54 LYS H H 8.309 0.002 1 491 54 54 LYS HA H 4.144 0.000 1 492 54 54 LYS HB2 H 1.775 0.000 2 493 54 54 LYS HB3 H 1.744 0.000 2 494 54 54 LYS HG2 H 1.432 0.000 2 495 54 54 LYS HG3 H 1.402 0.000 2 496 54 54 LYS C C 176.846 0.006 1 497 54 54 LYS CA C 57.237 0.041 1 498 54 54 LYS CB C 32.860 0.031 1 499 54 54 LYS CG C 24.966 0.000 1 500 54 54 LYS N N 124.367 0.018 1 501 55 55 GLN H H 8.358 0.002 1 502 55 55 GLN CA C 56.338 0.000 1 503 55 55 GLN CB C 29.469 0.000 1 504 55 55 GLN N N 121.198 0.011 1 505 56 56 HIS HA H 4.519 0.000 1 506 56 56 HIS HB2 H 3.036 0.000 2 507 56 56 HIS HB3 H 3.069 0.000 2 508 56 56 HIS C C 175.707 0.004 1 509 56 56 HIS CA C 56.904 0.003 1 510 56 56 HIS CB C 30.459 0.006 1 511 57 57 ARG H H 8.298 0.002 1 512 57 57 ARG HA H 4.197 0.000 1 513 57 57 ARG HB2 H 1.802 0.000 2 514 57 57 ARG HB3 H 1.783 0.000 2 515 57 57 ARG HG2 H 1.596 0.000 2 516 57 57 ARG HG3 H 1.579 0.000 2 517 57 57 ARG HD2 H 3.155 0.000 2 518 57 57 ARG HD3 H 3.163 0.000 2 519 57 57 ARG C C 176.469 0.009 1 520 57 57 ARG CA C 56.940 0.014 1 521 57 57 ARG CB C 30.684 0.041 1 522 57 57 ARG CG C 26.882 0.000 1 523 57 57 ARG CD C 43.135 0.000 1 524 57 57 ARG N N 122.660 0.004 1 525 58 58 ASP H H 8.705 0.002 1 526 58 58 ASP HA H 4.509 0.000 1 527 58 58 ASP HB2 H 2.643 0.000 2 528 58 58 ASP HB3 H 2.674 0.000 2 529 58 58 ASP C C 176.951 0.012 1 530 58 58 ASP CA C 55.147 0.050 1 531 58 58 ASP CB C 40.744 0.075 1 532 58 58 ASP N N 121.338 0.005 1 533 59 59 GLU H H 8.358 0.003 1 534 59 59 GLU HA H 4.212 0.000 1 535 59 59 GLU HB2 H 2.012 0.000 2 536 59 59 GLU HB3 H 2.030 0.000 2 537 59 59 GLU HG2 H 2.254 0.000 2 538 59 59 GLU HG3 H 2.283 0.000 2 539 59 59 GLU C C 177.124 0.003 1 540 59 59 GLU CA C 57.220 0.027 1 541 59 59 GLU CB C 30.094 0.031 1 542 59 59 GLU CG C 36.240 0.000 1 543 59 59 GLU N N 121.322 0.015 1 544 60 60 ILE H H 8.166 0.002 1 545 60 60 ILE HA H 4.047 0.000 1 546 60 60 ILE HB H 1.891 0.000 1 547 60 60 ILE HG2 H 0.867 0.000 1 548 60 60 ILE HD1 H 0.890 0.000 1 549 60 60 ILE C C 177.301 0.010 1 550 60 60 ILE CA C 61.947 0.019 1 551 60 60 ILE CB C 38.404 0.069 1 552 60 60 ILE CG1 C 27.444 0.000 1 553 60 60 ILE CG2 C 17.308 0.000 1 554 60 60 ILE N N 121.559 0.009 1 555 61 61 GLU H H 8.479 0.002 1 556 61 61 GLU HA H 4.157 0.000 1 557 61 61 GLU HB2 H 2.002 0.000 2 558 61 61 GLU HB3 H 2.026 0.000 2 559 61 61 GLU HG2 H 2.278 0.000 2 560 61 61 GLU HG3 H 2.301 0.000 2 561 61 61 GLU C C 177.024 0.002 1 562 61 61 GLU CA C 57.254 0.008 1 563 61 61 GLU CB C 29.862 0.018 1 564 61 61 GLU CG C 36.263 0.000 1 565 61 61 GLU N N 124.017 0.018 1 566 62 62 ALA H H 8.315 0.001 1 567 62 62 ALA HA H 4.174 0.000 1 568 62 62 ALA HB H 1.398 0.000 1 569 62 62 ALA C C 178.448 0.007 1 570 62 62 ALA CA C 53.454 0.045 1 571 62 62 ALA CB C 18.934 0.006 1 572 62 62 ALA N N 124.198 0.008 1 573 63 63 ASP H H 8.281 0.001 1 574 63 63 ASP HB2 H 2.661 0.000 2 575 63 63 ASP HB3 H 2.699 0.000 2 576 63 63 ASP C C 177.254 0.008 1 577 63 63 ASP CA C 54.874 0.037 1 578 63 63 ASP CB C 40.902 0.028 1 579 63 63 ASP N N 119.154 0.009 1 580 64 64 LYS H H 8.155 0.001 1 581 64 64 LYS HA H 4.085 0.000 1 582 64 64 LYS HB2 H 1.656 0.000 2 583 64 64 LYS HB3 H 1.678 0.000 2 584 64 64 LYS HG2 H 1.205 0.000 2 585 64 64 LYS HG3 H 1.227 0.000 2 586 64 64 LYS HD2 H 1.591 0.000 2 587 64 64 LYS HD3 H 1.605 0.000 2 588 64 64 LYS HE2 H 2.847 0.000 2 589 64 64 LYS HE3 H 2.866 0.000 2 590 64 64 LYS C C 177.247 0.004 1 591 64 64 LYS CA C 57.466 0.007 1 592 64 64 LYS CB C 32.415 0.034 1 593 64 64 LYS CG C 24.496 0.000 1 594 64 64 LYS CD C 28.807 0.000 1 595 64 64 LYS CE C 41.880 0.000 1 596 64 64 LYS N N 121.613 0.017 1 597 65 65 PHE H H 8.216 0.002 1 598 65 65 PHE HA H 4.529 0.000 1 599 65 65 PHE HB2 H 3.237 0.000 2 600 65 65 PHE HB3 H 3.011 0.000 2 601 65 65 PHE C C 176.222 0.005 1 602 65 65 PHE CA C 58.278 0.005 1 603 65 65 PHE CB C 39.083 0.030 1 604 65 65 PHE N N 119.324 0.016 1 605 66 66 ALA H H 8.049 0.001 1 606 66 66 ALA HA H 4.288 0.000 1 607 66 66 ALA HB H 1.443 0.000 1 608 66 66 ALA C C 178.320 0.007 1 609 66 66 ALA CA C 53.170 0.034 1 610 66 66 ALA CB C 19.081 0.021 1 611 66 66 ALA N N 123.726 0.018 1 612 67 67 THR H H 8.132 0.001 1 613 67 67 THR HA H 4.238 0.000 1 614 67 67 THR HG2 H 1.226 0.000 1 615 67 67 THR C C 174.884 0.010 1 616 67 67 THR CA C 62.338 0.030 1 617 67 67 THR CB C 69.649 0.055 1 618 67 67 THR CG2 C 21.897 0.000 1 619 67 67 THR N N 112.678 0.013 1 620 68 68 ARG H H 8.243 0.002 1 621 68 68 ARG HA H 4.232 0.000 1 622 68 68 ARG HB2 H 1.735 0.000 2 623 68 68 ARG HB3 H 1.759 0.000 2 624 68 68 ARG HG2 H 1.544 0.000 2 625 68 68 ARG HG3 H 1.566 0.000 2 626 68 68 ARG HD2 H 3.141 0.000 2 627 68 68 ARG HD3 H 3.155 0.000 2 628 68 68 ARG C C 176.113 0.010 1 629 68 68 ARG CA C 56.443 0.004 1 630 68 68 ARG CB C 30.520 0.072 1 631 68 68 ARG CG C 26.854 0.000 1 632 68 68 ARG CD C 43.162 0.000 1 633 68 68 ARG N N 123.315 0.011 1 634 69 69 GLN H H 8.397 0.002 1 635 69 69 GLN HA H 4.239 0.000 1 636 69 69 GLN HB2 H 1.912 0.000 2 637 69 69 GLN HB3 H 1.938 0.000 2 638 69 69 GLN HG2 H 2.199 0.000 2 639 69 69 GLN HG3 H 2.229 0.000 2 640 69 69 GLN C C 175.659 0.008 1 641 69 69 GLN CA C 55.751 0.039 1 642 69 69 GLN CB C 29.388 0.036 1 643 69 69 GLN CG C 33.556 0.000 1 644 69 69 GLN N N 121.248 0.021 1 645 70 70 TYR H H 8.299 0.001 1 646 70 70 TYR HA H 4.526 0.000 1 647 70 70 TYR HB2 H 2.924 0.000 2 648 70 70 TYR HB3 H 2.966 0.000 2 649 70 70 TYR C C 175.505 0.007 1 650 70 70 TYR CA C 57.960 0.014 1 651 70 70 TYR CB C 38.891 0.029 1 652 70 70 TYR N N 121.830 0.008 1 653 71 71 LYS H H 8.275 0.002 1 654 71 71 LYS HA H 4.251 0.000 1 655 71 71 LYS HB2 H 1.709 0.000 2 656 71 71 LYS HB3 H 1.740 0.000 2 657 71 71 LYS HG2 H 1.314 0.000 2 658 71 71 LYS HG3 H 1.341 0.000 2 659 71 71 LYS HD2 H 1.603 0.000 2 660 71 71 LYS HD3 H 1.637 0.000 2 661 71 71 LYS HE2 H 2.936 0.000 2 662 71 71 LYS HE3 H 2.966 0.000 2 663 71 71 LYS C C 175.990 0.005 1 664 71 71 LYS CA C 55.904 0.043 1 665 71 71 LYS CB C 33.298 0.032 1 666 71 71 LYS CG C 24.585 0.000 1 667 71 71 LYS CD C 29.302 0.000 1 668 71 71 LYS CE C 42.221 0.000 1 669 71 71 LYS N N 124.131 0.012 1 670 72 72 LYS H H 8.456 0.002 1 671 72 72 LYS HA H 4.165 0.000 1 672 72 72 LYS HB2 H 1.785 0.000 2 673 72 72 LYS HB3 H 1.762 0.000 2 674 72 72 LYS HG2 H 1.402 0.000 2 675 72 72 LYS HG3 H 1.435 0.000 2 676 72 72 LYS HD2 H 1.648 0.000 2 677 72 72 LYS HD3 H 1.676 0.000 2 678 72 72 LYS HE2 H 2.977 0.000 2 679 72 72 LYS HE3 H 3.005 0.000 2 680 72 72 LYS C C 176.700 0.004 1 681 72 72 LYS CA C 56.784 0.029 1 682 72 72 LYS CB C 32.896 0.023 1 683 72 72 LYS CG C 24.641 0.000 1 684 72 72 LYS CD C 29.163 0.000 1 685 72 72 LYS CE C 42.340 0.000 1 686 72 72 LYS N N 124.194 0.015 1 687 73 73 GLU H H 8.664 0.002 1 688 73 73 GLU HA H 4.211 0.000 1 689 73 73 GLU HB2 H 1.893 0.000 2 690 73 73 GLU HB3 H 1.931 0.000 2 691 73 73 GLU HG2 H 2.195 0.000 2 692 73 73 GLU HG3 H 2.222 0.000 2 693 73 73 GLU C C 176.273 0.006 1 694 73 73 GLU CA C 56.654 0.017 1 695 73 73 GLU CB C 30.044 0.040 1 696 73 73 GLU CG C 36.218 0.000 1 697 73 73 GLU N N 122.611 0.009 1 698 74 74 GLU H H 8.406 0.002 1 699 74 74 GLU HA H 4.223 0.000 1 700 74 74 GLU HB2 H 1.866 0.000 2 701 74 74 GLU HB3 H 1.905 0.000 2 702 74 74 GLU HG2 H 2.174 0.000 2 703 74 74 GLU HG3 H 2.212 0.000 2 704 74 74 GLU C C 175.956 0.004 1 705 74 74 GLU CA C 56.405 0.014 1 706 74 74 GLU CB C 30.339 0.085 1 707 74 74 GLU CG C 36.176 0.000 1 708 74 74 GLU N N 122.029 0.014 1 709 75 75 PHE H H 8.403 0.002 1 710 75 75 PHE HA H 4.620 0.000 1 711 75 75 PHE HB2 H 3.030 0.000 2 712 75 75 PHE HB3 H 3.072 0.000 2 713 75 75 PHE C C 175.345 0.005 1 714 75 75 PHE CA C 57.846 0.052 1 715 75 75 PHE CB C 39.667 0.028 1 716 75 75 PHE N N 121.870 0.015 1 717 76 76 VAL H H 8.075 0.002 1 718 76 76 VAL HA H 4.009 0.000 1 719 76 76 VAL HB H 1.927 0.000 1 720 76 76 VAL HG1 H 0.850 0.000 2 721 76 76 VAL HG2 H 0.879 0.000 2 722 76 76 VAL C C 175.570 0.005 1 723 76 76 VAL CA C 61.950 0.013 1 724 76 76 VAL CB C 33.144 0.048 1 725 76 76 VAL CG1 C 21.064 0.000 2 726 76 76 VAL CG2 C 20.700 0.000 2 727 76 76 VAL N N 123.937 0.016 1 728 77 77 GLU H H 8.577 0.001 1 729 77 77 GLU HA H 4.249 0.000 1 730 77 77 GLU HB2 H 1.989 0.000 2 731 77 77 GLU HB3 H 2.026 0.000 2 732 77 77 GLU HG2 H 2.266 0.000 2 733 77 77 GLU HG3 H 2.306 0.000 2 734 77 77 GLU C C 176.704 0.006 1 735 77 77 GLU CA C 56.555 0.039 1 736 77 77 GLU CB C 30.217 0.039 1 737 77 77 GLU CG C 36.245 0.000 1 738 77 77 GLU N N 125.507 0.009 1 739 78 78 THR H H 8.376 0.002 1 740 78 78 THR HB H 4.178 0.000 1 741 78 78 THR HG2 H 1.192 0.000 1 742 78 78 THR C C 174.533 0.006 1 743 78 78 THR CA C 62.125 0.033 1 744 78 78 THR CB C 69.742 0.049 1 745 78 78 THR CG2 C 21.739 0.000 1 746 78 78 THR N N 116.646 0.013 1 747 79 79 GLN H H 8.579 0.002 1 748 79 79 GLN HA H 4.376 0.000 1 749 79 79 GLN HB2 H 1.990 0.000 2 750 79 79 GLN HB3 H 2.031 0.000 2 751 79 79 GLN HG2 H 2.332 0.000 2 752 79 79 GLN HG3 H 2.365 0.000 2 753 79 79 GLN C C 175.910 0.005 1 754 79 79 GLN CA C 55.863 0.009 1 755 79 79 GLN CB C 29.853 0.069 1 756 79 79 GLN CG C 33.846 0.000 1 757 79 79 GLN N N 123.549 0.013 1 758 80 80 SER H H 8.755 0.002 1 759 80 80 SER HB2 H 3.898 0.000 2 760 80 80 SER HB3 H 3.931 0.000 2 761 80 80 SER C C 175.055 0.004 1 762 80 80 SER CA C 58.023 0.003 1 763 80 80 SER CB C 63.983 0.054 1 764 80 80 SER N N 118.652 0.009 1 765 81 81 LEU H H 8.595 0.001 1 766 81 81 LEU HA H 4.290 0.000 1 767 81 81 LEU HB2 H 1.653 0.000 2 768 81 81 LEU HB3 H 1.694 0.000 2 769 81 81 LEU HG H 1.600 0.000 1 770 81 81 LEU HD1 H 0.891 0.000 2 771 81 81 LEU HD2 H 0.915 0.000 2 772 81 81 LEU C C 177.967 0.007 1 773 81 81 LEU CA C 56.131 0.038 1 774 81 81 LEU CB C 41.834 0.024 1 775 81 81 LEU CG C 26.830 0.000 1 776 81 81 LEU CD1 C 24.581 0.000 1 777 81 81 LEU N N 124.727 0.008 1 778 82 82 ASP H H 8.277 0.001 1 779 82 82 ASP HA H 4.471 0.000 1 780 82 82 ASP HB2 H 2.658 0.000 2 781 82 82 ASP HB3 H 2.545 0.000 2 782 82 82 ASP C C 177.063 0.005 1 783 82 82 ASP CA C 55.608 0.002 1 784 82 82 ASP CB C 40.913 0.007 1 785 82 82 ASP N N 119.539 0.016 1 786 83 83 ASP H H 8.180 0.001 1 787 83 83 ASP HA H 4.510 0.000 1 788 83 83 ASP HB2 H 2.672 0.000 2 789 83 83 ASP HB3 H 2.717 0.000 2 790 83 83 ASP C C 177.094 0.007 1 791 83 83 ASP CA C 55.379 0.018 1 792 83 83 ASP CB C 40.727 0.021 1 793 83 83 ASP N N 120.518 0.008 1 794 84 84 LEU H H 8.069 0.001 1 795 84 84 LEU HA H 4.230 0.000 1 796 84 84 LEU HB2 H 1.655 0.000 2 797 84 84 LEU HB3 H 1.682 0.000 2 798 84 84 LEU HG H 1.608 0.000 1 799 84 84 LEU HD1 H 0.869 0.000 2 800 84 84 LEU HD2 H 0.893 0.000 2 801 84 84 LEU C C 178.282 0.007 1 802 84 84 LEU CA C 56.298 0.013 1 803 84 84 LEU CB C 41.967 0.036 1 804 84 84 LEU CG C 26.897 0.000 1 805 84 84 LEU CD1 C 24.540 0.000 2 806 84 84 LEU CD2 C 23.916 0.000 2 807 84 84 LEU N N 121.992 0.007 1 808 85 85 ILE H H 8.174 0.002 1 809 85 85 ILE HA H 3.963 0.000 1 810 85 85 ILE HB H 1.917 0.000 1 811 85 85 ILE HG12 H 1.202 0.000 1 812 85 85 ILE HG2 H 0.903 0.000 1 813 85 85 ILE HD1 H 0.870 0.000 1 814 85 85 ILE C C 177.440 0.006 1 815 85 85 ILE CA C 62.480 0.021 1 816 85 85 ILE CB C 38.062 0.062 1 817 85 85 ILE CG1 C 28.002 0.000 1 818 85 85 ILE CG2 C 17.179 0.000 1 819 85 85 ILE N N 121.465 0.008 1 820 86 86 GLN H H 8.332 0.002 1 821 86 86 GLN HA H 4.182 0.000 1 822 86 86 GLN HB2 H 2.055 0.000 2 823 86 86 GLN HB3 H 2.082 0.000 2 824 86 86 GLN HG2 H 2.360 0.000 2 825 86 86 GLN HG3 H 2.389 0.000 2 826 86 86 GLN C C 176.733 0.009 1 827 86 86 GLN CA C 56.916 0.017 1 828 86 86 GLN CB C 28.784 0.039 1 829 86 86 GLN CG C 33.380 0.000 1 830 86 86 GLN N N 123.136 0.011 1 831 87 87 GLU H H 8.434 0.001 1 832 87 87 GLU HA H 4.156 0.000 1 833 87 87 GLU HB2 H 2.015 0.000 2 834 87 87 GLU HB3 H 2.040 0.000 2 835 87 87 GLU HG2 H 2.272 0.000 2 836 87 87 GLU HG3 H 2.302 0.000 2 837 87 87 GLU C C 177.644 0.008 1 838 87 87 GLU CA C 57.715 0.017 1 839 87 87 GLU CB C 30.072 0.034 1 840 87 87 GLU CG C 36.334 0.000 1 841 87 87 GLU N N 121.554 0.008 1 842 88 88 MET H H 8.391 0.003 1 843 88 88 MET HA H 4.393 0.000 1 844 88 88 MET HB2 H 2.542 0.000 2 845 88 88 MET HB3 H 2.560 0.000 2 846 88 88 MET HG2 H 2.649 0.000 2 847 88 88 MET HG3 H 2.667 0.000 2 848 88 88 MET C C 177.076 0.010 1 849 88 88 MET CA C 56.465 0.028 1 850 88 88 MET CB C 32.598 0.041 1 851 88 88 MET CG C 31.910 0.000 1 852 88 88 MET N N 120.907 0.009 1 853 89 89 ARG H H 8.324 0.001 1 854 89 89 ARG HA H 4.234 0.000 1 855 89 89 ARG HB2 H 1.838 0.000 2 856 89 89 ARG HB3 H 1.864 0.000 2 857 89 89 ARG HG2 H 1.622 0.000 2 858 89 89 ARG HG3 H 1.653 0.000 2 859 89 89 ARG HD2 H 3.151 0.000 2 860 89 89 ARG HD3 H 3.177 0.000 2 861 89 89 ARG C C 177.217 0.010 1 862 89 89 ARG CA C 57.159 0.022 1 863 89 89 ARG CB C 30.603 0.019 1 864 89 89 ARG CG C 27.097 0.000 1 865 89 89 ARG CD C 42.964 0.000 1 866 89 89 ARG N N 122.207 0.023 1 867 90 90 GLU H H 8.456 0.002 1 868 90 90 GLU HA H 4.176 0.000 1 869 90 90 GLU HB2 H 2.002 0.000 2 870 90 90 GLU HB3 H 2.023 0.000 2 871 90 90 GLU HG2 H 2.278 0.000 2 872 90 90 GLU HG3 H 2.329 0.000 2 873 90 90 GLU C C 176.854 0.004 1 874 90 90 GLU CA C 57.069 0.064 1 875 90 90 GLU CB C 30.065 0.035 1 876 90 90 GLU CG C 36.396 0.000 1 877 90 90 GLU N N 121.181 0.006 1 878 91 91 ALA H H 8.242 0.001 1 879 91 91 ALA HA H 4.254 0.000 1 880 91 91 ALA HB H 1.424 0.000 1 881 91 91 ALA C C 178.507 0.009 1 882 91 91 ALA CA C 53.097 0.023 1 883 91 91 ALA CB C 18.870 0.015 1 884 91 91 ALA N N 124.468 0.010 1 885 92 92 VAL H H 8.107 0.001 1 886 92 92 VAL HA H 4.007 0.000 1 887 92 92 VAL HB H 2.088 0.000 1 888 92 92 VAL HG1 H 0.936 0.000 2 889 92 92 VAL HG2 H 0.956 0.000 2 890 92 92 VAL C C 176.921 0.007 1 891 92 92 VAL CA C 63.032 0.013 1 892 92 92 VAL CB C 32.649 0.020 1 893 92 92 VAL CG1 C 20.930 0.000 2 894 92 92 VAL CG2 C 21.365 0.000 2 895 92 92 VAL N N 119.775 0.015 1 896 93 93 GLU H H 8.496 0.002 1 897 93 93 GLU HA H 4.217 0.000 1 898 93 93 GLU HB2 H 1.969 0.000 2 899 93 93 GLU HB3 H 2.005 0.000 2 900 93 93 GLU HG2 H 2.246 0.000 2 901 93 93 GLU HG3 H 2.295 0.000 2 902 93 93 GLU C C 177.021 0.008 1 903 93 93 GLU CA C 56.968 0.032 1 904 93 93 GLU CB C 30.087 0.036 1 905 93 93 GLU CG C 36.226 0.000 1 906 93 93 GLU N N 124.217 0.013 1 907 94 94 LYS H H 8.443 0.002 1 908 94 94 LYS HA H 4.294 0.000 1 909 94 94 LYS HB2 H 1.814 0.000 2 910 94 94 LYS HB3 H 1.836 0.000 2 911 94 94 LYS HG2 H 1.438 0.000 2 912 94 94 LYS HG3 H 1.472 0.000 2 913 94 94 LYS HD2 H 1.677 0.000 2 914 94 94 LYS HD3 H 1.712 0.000 2 915 94 94 LYS HE2 H 2.972 0.000 2 916 94 94 LYS HE3 H 2.994 0.000 2 917 94 94 LYS C C 176.988 0.009 1 918 94 94 LYS CA C 56.696 0.006 1 919 94 94 LYS CB C 32.963 0.032 1 920 94 94 LYS CG C 24.744 0.000 1 921 94 94 LYS CD C 28.952 0.000 1 922 94 94 LYS CE C 41.657 0.000 1 923 94 94 LYS N N 122.628 0.014 1 924 95 95 SER H H 8.427 0.002 1 925 95 95 SER HA H 4.314 0.000 1 926 95 95 SER HB2 H 3.883 0.000 2 927 95 95 SER HB3 H 3.907 0.000 2 928 95 95 SER C C 174.930 0.011 1 929 95 95 SER CA C 58.599 0.061 1 930 95 95 SER CB C 63.780 0.022 1 931 95 95 SER N N 117.605 0.007 1 932 96 96 GLU H H 8.552 0.001 1 933 96 96 GLU HA H 4.290 0.000 1 934 96 96 GLU HB2 H 1.937 0.000 2 935 96 96 GLU HB3 H 2.071 0.000 2 936 96 96 GLU HG2 H 2.265 0.000 2 937 96 96 GLU HG3 H 2.297 0.000 2 938 96 96 GLU C C 176.487 0.009 1 939 96 96 GLU CA C 56.604 0.017 1 940 96 96 GLU CB C 30.198 0.037 1 941 96 96 GLU CG C 36.197 0.000 1 942 96 96 GLU N N 123.069 0.011 1 943 97 97 ALA H H 8.361 0.001 1 944 97 97 ALA HA H 4.322 0.000 1 945 97 97 ALA HB H 1.400 0.000 1 946 97 97 ALA C C 178.010 0.006 1 947 97 97 ALA CA C 52.629 0.015 1 948 97 97 ALA CB C 19.197 0.013 1 949 97 97 ALA N N 124.996 0.011 1 950 98 98 SER H H 8.424 0.001 1 951 98 98 SER HB2 H 3.880 0.000 2 952 98 98 SER HB3 H 3.907 0.000 2 953 98 98 SER C C 174.878 0.007 1 954 98 98 SER CA C 58.302 0.009 1 955 98 98 SER CB C 63.811 0.056 1 956 98 98 SER N N 115.619 0.010 1 957 99 99 SER H H 8.504 0.001 1 958 99 99 SER HB2 H 3.873 0.000 2 959 99 99 SER HB3 H 3.908 0.000 2 960 99 99 SER C C 174.513 0.010 1 961 99 99 SER CA C 58.415 0.016 1 962 99 99 SER CB C 63.851 0.033 1 963 99 99 SER N N 118.363 0.008 1 964 100 100 GLU H H 8.470 0.001 1 965 100 100 GLU HA H 4.292 0.000 1 966 100 100 GLU HB2 H 1.889 0.000 2 967 100 100 GLU HB3 H 2.050 0.000 2 968 100 100 GLU HG2 H 2.234 0.000 2 969 100 100 GLU HG3 H 2.263 0.000 2 970 100 100 GLU C C 176.380 0.003 1 971 100 100 GLU CA C 56.379 0.032 1 972 100 100 GLU CB C 30.233 0.010 1 973 100 100 GLU CG C 36.187 0.000 1 974 100 100 GLU N N 122.611 0.009 1 975 101 101 GLU H H 8.477 0.002 1 976 101 101 GLU HA H 4.262 0.000 1 977 101 101 GLU HB2 H 1.925 0.000 2 978 101 101 GLU HB3 H 1.944 0.000 2 979 101 101 GLU HG2 H 2.210 0.000 2 980 101 101 GLU HG3 H 2.244 0.000 2 981 101 101 GLU C C 176.324 0.015 1 982 101 101 GLU CA C 56.282 0.016 1 983 101 101 GLU CB C 30.292 0.111 1 984 101 101 GLU CG C 36.174 0.000 1 985 101 101 GLU N N 122.617 0.005 1 986 102 102 VAL H H 8.469 0.001 1 987 102 102 VAL C C 174.467 0.000 1 988 102 102 VAL CA C 59.900 0.000 1 989 102 102 VAL CB C 32.627 0.000 1 990 102 102 VAL N N 124.274 0.007 1 991 103 103 PRO HA H 4.451 0.000 1 992 103 103 PRO HB2 H 2.048 0.000 2 993 103 103 PRO HB3 H 2.323 0.000 2 994 103 103 PRO HG2 H 1.923 0.000 2 995 103 103 PRO HG3 H 1.958 0.000 2 996 103 103 PRO HD2 H 3.682 0.000 2 997 103 103 PRO HD3 H 3.897 0.000 2 998 103 103 PRO C C 176.993 0.004 1 999 103 103 PRO CA C 63.061 0.013 1 1000 103 103 PRO CB C 32.280 0.035 1 1001 103 103 PRO CG C 27.379 0.000 1 1002 103 103 PRO CD C 51.071 0.000 1 1003 104 104 SER H H 8.689 0.001 1 1004 104 104 SER HB2 H 3.885 0.000 2 1005 104 104 SER HB3 H 3.915 0.000 2 1006 104 104 SER C C 175.021 0.006 1 1007 104 104 SER CA C 58.190 0.065 1 1008 104 104 SER CB C 63.920 0.042 1 1009 104 104 SER N N 117.159 0.007 1 1010 105 105 SER H H 8.599 0.002 1 1011 105 105 SER HB2 H 3.865 0.000 2 1012 105 105 SER HB3 H 3.897 0.000 2 1013 105 105 SER C C 174.691 0.011 1 1014 105 105 SER CA C 58.558 0.033 1 1015 105 105 SER CB C 63.759 0.048 1 1016 105 105 SER N N 118.536 0.007 1 1017 106 106 GLU H H 8.525 0.001 1 1018 106 106 GLU HA H 4.273 0.000 1 1019 106 106 GLU HB2 H 1.873 0.000 2 1020 106 106 GLU HB3 H 2.061 0.000 2 1021 106 106 GLU HG2 H 2.221 0.000 2 1022 106 106 GLU HG3 H 2.251 0.000 2 1023 106 106 GLU C C 176.234 0.003 1 1024 106 106 GLU CA C 56.524 0.017 1 1025 106 106 GLU CB C 30.238 0.037 1 1026 106 106 GLU CG C 36.248 0.000 1 1027 106 106 GLU N N 122.406 0.011 1 1028 107 107 ASP H H 8.371 0.002 1 1029 107 107 ASP HA H 4.575 0.000 1 1030 107 107 ASP HB2 H 2.544 0.000 2 1031 107 107 ASP HB3 H 2.665 0.000 2 1032 107 107 ASP C C 176.112 0.004 1 1033 107 107 ASP CA C 54.616 0.117 1 1034 107 107 ASP CB C 41.010 0.010 1 1035 107 107 ASP N N 121.722 0.010 1 1036 108 108 ILE H H 8.112 0.001 1 1037 108 108 ILE HA H 4.105 0.000 1 1038 108 108 ILE HB H 1.845 0.000 1 1039 108 108 ILE HG12 H 1.451 0.000 2 1040 108 108 ILE HG13 H 1.165 0.000 2 1041 108 108 ILE HG2 H 0.875 0.000 1 1042 108 108 ILE HD1 H 0.848 0.000 1 1043 108 108 ILE C C 175.989 0.004 1 1044 108 108 ILE CA C 61.073 0.004 1 1045 108 108 ILE CB C 38.651 0.034 1 1046 108 108 ILE CG1 C 27.147 0.000 1 1047 108 108 ILE CG2 C 17.439 0.000 1 1048 108 108 ILE CD1 C 12.895 0.000 1 1049 108 108 ILE N N 121.359 0.009 1 1050 109 109 LEU H H 8.409 0.001 1 1051 109 109 LEU HA H 4.378 0.000 1 1052 109 109 LEU HB2 H 1.620 0.000 2 1053 109 109 LEU HB3 H 1.560 0.000 2 1054 109 109 LEU HG H 1.515 0.000 1 1055 109 109 LEU HD1 H 0.871 0.000 2 1056 109 109 LEU HD2 H 0.902 0.000 2 1057 109 109 LEU C C 176.809 0.004 1 1058 109 109 LEU CA C 54.717 0.002 1 1059 109 109 LEU CB C 42.133 0.030 1 1060 109 109 LEU CG C 26.884 0.000 1 1061 109 109 LEU CD1 C 24.801 0.000 2 1062 109 109 LEU CD2 C 23.998 0.000 2 1063 109 109 LEU N N 127.080 0.007 1 1064 110 110 LEU H H 8.316 0.002 1 1065 110 110 LEU C C 174.979 0.000 1 1066 110 110 LEU CA C 52.761 0.000 1 1067 110 110 LEU CB C 41.568 0.000 1 1068 110 110 LEU N N 125.710 0.011 1 1069 111 111 PRO HA H 4.397 0.000 1 1070 111 111 PRO HB2 H 2.249 0.000 2 1071 111 111 PRO HB3 H 2.009 0.000 2 1072 111 111 PRO HG2 H 1.976 0.000 2 1073 111 111 PRO HG3 H 1.856 0.000 2 1074 111 111 PRO HD2 H 3.627 0.000 2 1075 111 111 PRO HD3 H 3.797 0.000 2 1076 111 111 PRO C C 176.681 0.005 1 1077 111 111 PRO CA C 62.665 0.003 1 1078 111 111 PRO CB C 32.023 0.051 1 1079 111 111 PRO CG C 27.307 0.000 1 1080 111 111 PRO CD C 50.483 0.000 1 1081 112 112 LEU H H 8.415 0.001 1 1082 112 112 LEU C C 175.527 0.000 1 1083 112 112 LEU CA C 53.007 0.000 1 1084 112 112 LEU CB C 41.395 0.000 1 1085 112 112 LEU N N 124.157 0.010 1 1086 113 113 PRO HA H 4.382 0.000 1 1087 113 113 PRO HB2 H 2.046 0.000 2 1088 113 113 PRO HB3 H 2.271 0.000 2 1089 113 113 PRO HG2 H 1.879 0.000 2 1090 113 113 PRO HG3 H 2.017 0.000 2 1091 113 113 PRO HD2 H 3.611 0.000 2 1092 113 113 PRO HD3 H 3.855 0.000 2 1093 113 113 PRO C C 176.878 0.008 1 1094 113 113 PRO CA C 62.859 0.022 1 1095 113 113 PRO CB C 32.069 0.013 1 1096 113 113 PRO CG C 27.414 0.000 1 1097 113 113 PRO CD C 50.464 0.000 1 1098 114 114 LEU H H 8.489 0.002 1 1099 114 114 LEU HA H 4.316 0.000 1 1100 114 114 LEU HB2 H 1.598 0.000 2 1101 114 114 LEU HB3 H 1.646 0.000 2 1102 114 114 LEU HG H 1.561 0.000 1 1103 114 114 LEU HD1 H 0.887 0.000 2 1104 114 114 LEU HD2 H 0.911 0.000 2 1105 114 114 LEU C C 177.446 0.004 1 1106 114 114 LEU CA C 54.888 0.018 1 1107 114 114 LEU CB C 42.375 0.035 1 1108 114 114 LEU CG C 27.034 0.000 1 1109 114 114 LEU CD1 C 24.841 0.000 2 1110 114 114 LEU CD2 C 23.312 0.000 2 1111 114 114 LEU N N 122.959 0.010 1 1112 115 115 ASP H H 8.465 0.001 1 1113 115 115 ASP HA H 4.554 0.000 1 1114 115 115 ASP HB2 H 2.606 0.000 2 1115 115 115 ASP HB3 H 2.653 0.000 2 1116 115 115 ASP C C 176.102 0.005 1 1117 115 115 ASP CA C 54.389 0.061 1 1118 115 115 ASP CB C 41.228 0.016 1 1119 115 115 ASP N N 121.537 0.008 1 1120 116 116 ASP H H 8.396 0.003 1 1121 116 116 ASP HA H 4.565 0.000 1 1122 116 116 ASP HB2 H 2.617 0.000 2 1123 116 116 ASP HB3 H 2.643 0.000 2 1124 116 116 ASP C C 176.623 0.005 1 1125 116 116 ASP CA C 54.533 0.099 1 1126 116 116 ASP CB C 41.148 0.027 1 1127 116 116 ASP N N 120.884 0.004 1 1128 117 117 GLU H H 8.462 0.002 1 1129 117 117 GLU HA H 4.217 0.000 1 1130 117 117 GLU HB2 H 1.998 0.000 2 1131 117 117 GLU HB3 H 2.023 0.000 2 1132 117 117 GLU HG2 H 2.236 0.000 2 1133 117 117 GLU HG3 H 2.267 0.000 2 1134 117 117 GLU C C 176.934 0.009 1 1135 117 117 GLU CA C 56.891 0.047 1 1136 117 117 GLU CB C 30.235 0.014 1 1137 117 117 GLU CG C 36.350 0.000 1 1138 117 117 GLU N N 121.194 0.010 1 1139 118 118 GLU H H 8.527 0.001 1 1140 118 118 GLU HA H 4.234 0.000 1 1141 118 118 GLU HB2 H 1.987 0.000 2 1142 118 118 GLU HB3 H 2.005 0.000 2 1143 118 118 GLU HG2 H 2.285 0.000 2 1144 118 118 GLU HG3 H 2.302 0.000 2 1145 118 118 GLU C C 176.774 0.010 1 1146 118 118 GLU CA C 56.644 0.057 1 1147 118 118 GLU CB C 29.950 0.004 1 1148 118 118 GLU CG C 36.299 0.000 1 1149 118 118 GLU N N 122.067 0.010 1 1150 119 119 GLN H H 8.520 0.003 1 1151 119 119 GLN HA H 4.295 0.000 1 1152 119 119 GLN HB2 H 1.986 0.000 2 1153 119 119 GLN HB3 H 2.136 0.000 2 1154 119 119 GLN HG2 H 2.374 0.000 2 1155 119 119 GLN HG3 H 2.400 0.000 2 1156 119 119 GLN C C 176.648 0.006 1 1157 119 119 GLN CA C 55.940 0.005 1 1158 119 119 GLN CB C 29.557 0.049 1 1159 119 119 GLN CG C 33.715 0.000 1 1160 119 119 GLN N N 121.771 0.001 1 1161 120 120 GLY H H 8.564 0.002 1 1162 120 120 GLY HA2 H 3.856 0.000 2 1163 120 120 GLY HA3 H 3.986 0.000 2 1164 120 120 GLY C C 173.955 0.008 1 1165 120 120 GLY CA C 45.227 0.013 1 1166 120 120 GLY N N 110.163 0.010 1 1167 121 121 LEU H H 8.201 0.001 1 1168 121 121 LEU HA H 4.321 0.000 1 1169 121 121 LEU HB2 H 1.563 0.000 2 1170 121 121 LEU HB3 H 1.612 0.000 2 1171 121 121 LEU HG H 1.493 0.000 1 1172 121 121 LEU HD1 H 0.858 0.000 2 1173 121 121 LEU HD2 H 0.881 0.000 2 1174 121 121 LEU C C 177.146 0.007 1 1175 121 121 LEU CA C 54.723 0.009 1 1176 121 121 LEU CB C 42.546 0.005 1 1177 121 121 LEU CG C 26.838 0.000 1 1178 121 121 LEU CD1 C 24.721 0.000 2 1179 121 121 LEU CD2 C 23.381 0.000 2 1180 121 121 LEU N N 121.576 0.009 1 1181 122 122 ASP H H 8.501 0.002 1 1182 122 122 ASP C C 174.960 0.000 1 1183 122 122 ASP CA C 52.264 0.000 1 1184 122 122 ASP CB C 40.995 0.000 1 1185 122 122 ASP N N 123.652 0.016 1 1186 123 123 PRO HA H 4.352 0.000 1 1187 123 123 PRO HB2 H 2.274 0.000 2 1188 123 123 PRO HB3 H 2.302 0.000 2 1189 123 123 PRO HG2 H 1.943 0.000 2 1190 123 123 PRO HG3 H 1.975 0.000 2 1191 123 123 PRO HD2 H 3.834 0.000 2 1192 123 123 PRO HD3 H 3.863 0.000 2 1193 123 123 PRO C C 177.301 0.006 1 1194 123 123 PRO CA C 63.448 0.013 1 1195 123 123 PRO CB C 32.160 0.020 1 1196 123 123 PRO CG C 27.153 0.000 1 1197 123 123 PRO CD C 50.774 0.000 1 1198 124 124 LEU H H 8.449 0.001 1 1199 124 124 LEU HA H 4.252 0.000 1 1200 124 124 LEU HB2 H 1.572 0.000 2 1201 124 124 LEU HB3 H 1.677 0.000 2 1202 124 124 LEU HG H 1.531 0.000 1 1203 124 124 LEU HD1 H 0.888 0.000 2 1204 124 124 LEU HD2 H 0.912 0.000 2 1205 124 124 LEU C C 177.589 0.005 1 1206 124 124 LEU CA C 55.320 0.021 1 1207 124 124 LEU CB C 41.625 0.019 1 1208 124 124 LEU CG C 26.922 0.000 1 1209 124 124 LEU CD1 C 24.783 0.000 2 1210 124 124 LEU CD2 C 23.319 0.000 2 1211 124 124 LEU N N 120.960 0.011 1 1212 125 125 LEU H H 8.048 0.001 1 1213 125 125 LEU HA H 4.344 0.000 1 1214 125 125 LEU HB2 H 1.671 0.000 2 1215 125 125 LEU HB3 H 1.584 0.000 2 1216 125 125 LEU HG H 1.544 0.000 1 1217 125 125 LEU HD1 H 0.930 0.000 2 1218 125 125 LEU HD2 H 0.900 0.000 2 1219 125 125 LEU C C 177.126 0.005 1 1220 125 125 LEU CA C 54.762 0.013 1 1221 125 125 LEU CB C 41.986 0.033 1 1222 125 125 LEU CG C 26.809 0.000 1 1223 125 125 LEU CD1 C 24.820 0.000 2 1224 125 125 LEU CD2 C 23.342 0.000 2 1225 125 125 LEU N N 122.448 0.013 1 1226 126 126 LEU H H 8.159 0.002 1 1227 126 126 LEU HA H 4.344 0.000 1 1228 126 126 LEU HB2 H 1.562 0.000 2 1229 126 126 LEU HB3 H 1.652 0.000 2 1230 126 126 LEU HG H 1.517 0.000 1 1231 126 126 LEU HD1 H 0.872 0.000 2 1232 126 126 LEU HD2 H 0.899 0.000 2 1233 126 126 LEU C C 177.150 0.014 1 1234 126 126 LEU CA C 54.788 0.040 1 1235 126 126 LEU CB C 42.391 0.011 1 1236 126 126 LEU CG C 26.859 0.000 1 1237 126 126 LEU CD1 C 24.859 0.000 2 1238 126 126 LEU CD2 C 23.286 0.000 2 1239 126 126 LEU N N 123.249 0.007 1 1240 127 127 ASP H H 8.388 0.001 1 1241 127 127 ASP HA H 4.565 0.000 1 1242 127 127 ASP HB2 H 2.558 0.000 2 1243 127 127 ASP HB3 H 2.693 0.000 2 1244 127 127 ASP C C 176.076 0.007 1 1245 127 127 ASP CA C 54.356 0.061 1 1246 127 127 ASP CB C 41.239 0.016 1 1247 127 127 ASP N N 121.551 0.008 1 1248 128 128 ASP H H 8.375 0.002 1 1249 128 128 ASP HA H 4.544 0.000 1 1250 128 128 ASP HB2 H 2.651 0.000 2 1251 128 128 ASP HB3 H 2.602 0.000 2 1252 128 128 ASP C C 176.334 0.004 1 1253 128 128 ASP CA C 54.285 0.027 1 1254 128 128 ASP CB C 41.155 0.019 1 1255 128 128 ASP N N 121.184 0.010 1 1256 129 129 GLU H H 8.414 0.002 1 1257 129 129 GLU HA H 4.218 0.000 1 1258 129 129 GLU HB2 H 1.981 0.000 2 1259 129 129 GLU HB3 H 2.003 0.000 2 1260 129 129 GLU HG2 H 2.208 0.000 2 1261 129 129 GLU HG3 H 2.233 0.000 2 1262 129 129 GLU C C 176.190 0.006 1 1263 129 129 GLU CA C 56.531 0.027 1 1264 129 129 GLU CB C 30.334 0.063 1 1265 129 129 GLU CG C 36.295 0.000 1 1266 129 129 GLU N N 120.856 0.008 1 1267 130 130 ASN H H 8.575 0.002 1 1268 130 130 ASN C C 173.024 0.000 1 1269 130 130 ASN CA C 51.421 0.000 1 1270 130 130 ASN CB C 38.916 0.000 1 1271 130 130 ASN N N 120.498 0.007 1 1272 131 131 PRO HA H 4.497 0.000 1 1273 131 131 PRO HB2 H 2.278 0.000 2 1274 131 131 PRO HB3 H 2.304 0.000 2 1275 131 131 PRO HG2 H 1.971 0.000 2 1276 131 131 PRO HG3 H 2.002 0.000 2 1277 131 131 PRO HD2 H 3.707 0.000 2 1278 131 131 PRO HD3 H 3.730 0.000 2 1279 131 131 PRO C C 177.311 0.004 1 1280 131 131 PRO CA C 63.290 0.000 1 1281 131 131 PRO CB C 32.188 0.001 1 1282 131 131 PRO CG C 27.234 0.000 1 1283 131 131 PRO CD C 50.626 0.000 1 1284 132 132 THR H H 8.409 0.001 1 1285 132 132 THR HB H 4.166 0.000 1 1286 132 132 THR HG2 H 1.214 0.000 1 1287 132 132 THR C C 174.612 0.013 1 1288 132 132 THR CA C 62.252 0.056 1 1289 132 132 THR CB C 69.765 0.034 1 1290 132 132 THR CG2 C 21.828 0.000 1 1291 132 132 THR N N 115.264 0.005 1 1292 133 133 GLU H H 8.487 0.001 1 1293 133 133 GLU HA H 4.288 0.000 1 1294 133 133 GLU HB2 H 1.970 0.000 2 1295 133 133 GLU HB3 H 1.997 0.000 2 1296 133 133 GLU HG2 H 2.228 0.000 2 1297 133 133 GLU HG3 H 2.258 0.000 2 1298 133 133 GLU C C 176.269 0.007 1 1299 133 133 GLU CA C 56.402 0.008 1 1300 133 133 GLU CB C 30.315 0.061 1 1301 133 133 GLU CG C 36.132 0.000 1 1302 133 133 GLU N N 123.824 0.009 1 1303 134 134 MET H H 8.587 0.002 1 1304 134 134 MET HA H 4.552 0.000 1 1305 134 134 MET HB2 H 2.026 0.000 2 1306 134 134 MET HB3 H 2.054 0.000 2 1307 134 134 MET HG2 H 2.550 0.000 2 1308 134 134 MET HG3 H 2.592 0.000 2 1309 134 134 MET C C 176.365 0.007 1 1310 134 134 MET CA C 55.306 0.003 1 1311 134 134 MET CB C 32.901 0.050 1 1312 134 134 MET CG C 31.837 0.000 1 1313 134 134 MET N N 122.677 0.007 1 1314 135 135 THR H H 8.357 0.001 1 1315 135 135 THR HB H 4.201 0.000 1 1316 135 135 THR HG2 H 1.190 0.000 1 1317 135 135 THR C C 174.411 0.006 1 1318 135 135 THR CA C 61.872 0.035 1 1319 135 135 THR CB C 69.914 0.049 1 1320 135 135 THR CG2 C 21.756 0.000 1 1321 135 135 THR N N 116.728 0.015 1 1322 136 136 GLU H H 8.593 0.001 1 1323 136 136 GLU HA H 4.300 0.000 1 1324 136 136 GLU HB2 H 1.924 0.000 2 1325 136 136 GLU HB3 H 1.987 0.000 2 1326 136 136 GLU HG2 H 2.228 0.000 2 1327 136 136 GLU HG3 H 2.265 0.000 2 1328 136 136 GLU C C 176.389 0.005 1 1329 136 136 GLU CA C 56.371 0.037 1 1330 136 136 GLU CB C 30.525 0.016 1 1331 136 136 GLU CG C 36.242 0.000 1 1332 136 136 GLU N N 123.744 0.009 1 1333 137 137 GLU H H 8.619 0.001 1 1334 137 137 GLU HA H 4.281 0.000 1 1335 137 137 GLU HB2 H 1.923 0.000 2 1336 137 137 GLU HB3 H 1.954 0.000 2 1337 137 137 GLU HG2 H 2.224 0.000 2 1338 137 137 GLU HG3 H 2.253 0.000 2 1339 137 137 GLU C C 176.523 0.005 1 1340 137 137 GLU CA C 56.524 0.024 1 1341 137 137 GLU CB C 30.201 0.009 1 1342 137 137 GLU CG C 36.227 0.000 1 1343 137 137 GLU N N 123.089 0.001 1 1344 138 138 VAL H H 8.402 0.002 1 1345 138 138 VAL HA H 4.097 0.000 1 1346 138 138 VAL HB H 2.042 0.000 1 1347 138 138 VAL HG1 H 0.904 0.000 2 1348 138 138 VAL HG2 H 0.933 0.000 2 1349 138 138 VAL C C 176.315 0.006 1 1350 138 138 VAL CA C 62.189 0.010 1 1351 138 138 VAL CB C 32.949 0.015 1 1352 138 138 VAL CG1 C 21.217 0.000 2 1353 138 138 VAL CG2 C 20.714 0.000 2 1354 138 138 VAL N N 122.498 0.009 1 1355 139 139 GLU H H 8.650 0.001 1 1356 139 139 GLU HA H 4.263 0.000 1 1357 139 139 GLU HB2 H 1.926 0.000 2 1358 139 139 GLU HB3 H 1.987 0.000 2 1359 139 139 GLU HG2 H 2.223 0.000 2 1360 139 139 GLU HG3 H 2.267 0.000 2 1361 139 139 GLU C C 176.650 0.004 1 1362 139 139 GLU CA C 56.605 0.037 1 1363 139 139 GLU CB C 30.418 0.024 1 1364 139 139 GLU CG C 36.270 0.000 1 1365 139 139 GLU N N 125.792 0.009 1 1366 140 140 GLU H H 8.636 0.001 1 1367 140 140 GLU HA H 4.240 0.000 1 1368 140 140 GLU HB2 H 1.954 0.000 2 1369 140 140 GLU HB3 H 2.001 0.000 2 1370 140 140 GLU HG2 H 2.234 0.000 2 1371 140 140 GLU HG3 H 2.277 0.000 2 1372 140 140 GLU C C 176.841 0.003 1 1373 140 140 GLU CA C 56.778 0.012 1 1374 140 140 GLU CB C 30.333 0.019 1 1375 140 140 GLU CG C 36.174 0.000 1 1376 140 140 GLU N N 123.083 0.008 1 1377 141 141 GLU H H 8.608 0.003 1 1378 141 141 GLU HA H 4.187 0.000 1 1379 141 141 GLU HB2 H 1.991 0.000 2 1380 141 141 GLU HB3 H 2.014 0.000 2 1381 141 141 GLU HG2 H 2.255 0.000 2 1382 141 141 GLU HG3 H 2.272 0.000 2 1383 141 141 GLU C C 176.958 0.009 1 1384 141 141 GLU CA C 57.037 0.007 1 1385 141 141 GLU CB C 30.053 0.030 1 1386 141 141 GLU CG C 36.286 0.000 1 1387 141 141 GLU N N 122.770 0.010 1 1388 142 142 GLN H H 8.598 0.001 1 1389 142 142 GLN HA H 4.261 0.000 1 1390 142 142 GLN HB2 H 1.996 0.000 2 1391 142 142 GLN HB3 H 2.040 0.000 2 1392 142 142 GLN HG2 H 2.345 0.000 2 1393 142 142 GLN HG3 H 2.376 0.000 2 1394 142 142 GLN C C 176.017 0.008 1 1395 142 142 GLN CA C 56.134 0.010 1 1396 142 142 GLN CB C 29.359 0.038 1 1397 142 142 GLN CG C 33.718 0.000 1 1398 142 142 GLN N N 121.549 0.006 1 1399 143 143 ASN H H 8.638 0.001 1 1400 143 143 ASN HA H 4.671 0.000 1 1401 143 143 ASN HB2 H 2.774 0.000 2 1402 143 143 ASN HB3 H 2.839 0.000 2 1403 143 143 ASN C C 175.640 0.008 1 1404 143 143 ASN CA C 53.418 0.003 1 1405 143 143 ASN CB C 38.575 0.021 1 1406 143 143 ASN N N 119.957 0.005 1 1407 144 144 LEU H H 8.399 0.002 1 1408 144 144 LEU HA H 4.308 0.000 1 1409 144 144 LEU HB2 H 1.623 0.000 2 1410 144 144 LEU HB3 H 1.691 0.000 2 1411 144 144 LEU HG H 1.592 0.000 1 1412 144 144 LEU HD1 H 0.860 0.000 2 1413 144 144 LEU HD2 H 0.893 0.000 2 1414 144 144 LEU C C 178.041 0.008 1 1415 144 144 LEU CA C 55.653 0.006 1 1416 144 144 LEU CB C 42.031 0.042 1 1417 144 144 LEU CG C 26.645 0.000 1 1418 144 144 LEU CD1 C 24.875 0.000 2 1419 144 144 LEU CD2 C 23.208 0.000 2 1420 144 144 LEU N N 122.861 0.008 1 1421 145 145 SER H H 8.432 0.001 1 1422 145 145 SER HB2 H 3.877 0.000 2 1423 145 145 SER HB3 H 3.912 0.000 2 1424 145 145 SER C C 174.915 0.006 1 1425 145 145 SER CA C 58.858 0.010 1 1426 145 145 SER CB C 63.547 0.017 1 1427 145 145 SER N N 116.436 0.012 1 1428 146 146 ARG H H 8.305 0.001 1 1429 146 146 ARG HA H 4.305 0.000 1 1430 146 146 ARG HB2 H 1.789 0.000 2 1431 146 146 ARG HB3 H 1.872 0.000 2 1432 146 146 ARG HG2 H 1.593 0.000 2 1433 146 146 ARG HG3 H 1.624 0.000 2 1434 146 146 ARG HD2 H 3.181 0.000 2 1435 146 146 ARG HD3 H 3.206 0.000 2 1436 146 146 ARG C C 176.815 0.006 1 1437 146 146 ARG CA C 56.516 0.019 1 1438 146 146 ARG CB C 30.484 0.016 1 1439 146 146 ARG CG C 27.002 0.000 1 1440 146 146 ARG CD C 43.075 0.000 1 1441 146 146 ARG N N 122.885 0.010 1 1442 147 147 LEU H H 8.277 0.001 1 1443 147 147 LEU HA H 4.280 0.000 1 1444 147 147 LEU HB2 H 1.575 0.000 2 1445 147 147 LEU HB3 H 1.620 0.000 2 1446 147 147 LEU HG H 1.534 0.000 1 1447 147 147 LEU HD1 H 0.862 0.000 2 1448 147 147 LEU HD2 H 0.905 0.000 2 1449 147 147 LEU C C 177.672 0.006 1 1450 147 147 LEU CA C 55.719 0.015 1 1451 147 147 LEU CB C 42.092 0.040 1 1452 147 147 LEU CG C 26.867 0.000 1 1453 147 147 LEU CD1 C 24.803 0.000 2 1454 147 147 LEU CD2 C 23.221 0.000 2 1455 147 147 LEU N N 122.475 0.008 1 1456 148 148 ASP H H 8.376 0.001 1 1457 148 148 ASP HA H 4.552 0.000 1 1458 148 148 ASP HB2 H 2.664 0.000 2 1459 148 148 ASP HB3 H 2.695 0.000 2 1460 148 148 ASP C C 176.652 0.006 1 1461 148 148 ASP CA C 54.761 0.004 1 1462 148 148 ASP CB C 40.842 0.002 1 1463 148 148 ASP N N 120.523 0.008 1 1464 149 149 GLN H H 8.288 0.001 1 1465 149 149 GLN HA H 4.255 0.000 1 1466 149 149 GLN HB2 H 2.000 0.000 2 1467 149 149 GLN HB3 H 2.015 0.000 2 1468 149 149 GLN HG2 H 2.295 0.000 2 1469 149 149 GLN HG3 H 2.317 0.000 2 1470 149 149 GLN C C 176.569 0.003 1 1471 149 149 GLN CA C 56.261 0.023 1 1472 149 149 GLN CB C 29.461 0.027 1 1473 149 149 GLN CG C 33.681 0.000 1 1474 149 149 GLN N N 120.270 0.012 1 1475 150 150 GLU H H 8.511 0.001 1 1476 150 150 GLU HA H 4.202 0.000 1 1477 150 150 GLU HB2 H 2.000 0.000 2 1478 150 150 GLU HB3 H 2.037 0.000 2 1479 150 150 GLU HG2 H 2.254 0.000 2 1480 150 150 GLU HG3 H 2.292 0.000 2 1481 150 150 GLU C C 176.910 0.009 1 1482 150 150 GLU CA C 57.216 0.022 1 1483 150 150 GLU CB C 30.104 0.034 1 1484 150 150 GLU CG C 36.318 0.000 1 1485 150 150 GLU N N 121.755 0.018 1 1486 151 151 ASP H H 8.493 0.001 1 1487 151 151 ASP HA H 4.580 0.000 1 1488 151 151 ASP HB2 H 2.681 0.000 2 1489 151 151 ASP HB3 H 2.719 0.000 2 1490 151 151 ASP C C 177.159 0.003 1 1491 151 151 ASP CA C 54.850 0.002 1 1492 151 151 ASP CB C 41.119 0.004 1 1493 151 151 ASP N N 121.603 0.020 1 1494 152 152 SER H H 8.415 0.002 1 1495 152 152 SER HA H 4.274 0.000 1 1496 152 152 SER HB2 H 3.911 0.000 2 1497 152 152 SER HB3 H 3.945 0.000 2 1498 152 152 SER C C 175.696 0.007 1 1499 152 152 SER CA C 59.929 0.009 1 1500 152 152 SER CB C 63.433 0.025 1 1501 152 152 SER N N 116.975 0.008 1 1502 153 153 GLU H H 8.449 0.001 1 1503 153 153 GLU HA H 4.220 0.000 1 1504 153 153 GLU HB2 H 2.016 0.000 2 1505 153 153 GLU HB3 H 2.073 0.000 2 1506 153 153 GLU HG2 H 2.234 0.000 2 1507 153 153 GLU HG3 H 2.290 0.000 2 1508 153 153 GLU C C 177.370 0.003 1 1509 153 153 GLU CA C 57.388 0.045 1 1510 153 153 GLU CB C 29.752 0.033 1 1511 153 153 GLU CG C 36.321 0.000 1 1512 153 153 GLU N N 122.301 0.010 1 1513 154 154 LYS H H 8.130 0.001 1 1514 154 154 LYS HA H 4.193 0.000 1 1515 154 154 LYS HB2 H 1.819 0.000 2 1516 154 154 LYS HB3 H 1.849 0.000 2 1517 154 154 LYS HG2 H 1.432 0.000 2 1518 154 154 LYS HG3 H 1.478 0.000 2 1519 154 154 LYS HD2 H 1.658 0.000 2 1520 154 154 LYS HD3 H 1.695 0.000 2 1521 154 154 LYS HE2 H 2.978 0.000 2 1522 154 154 LYS HE3 H 2.998 0.000 2 1523 154 154 LYS C C 177.426 0.014 1 1524 154 154 LYS CA C 57.208 0.029 1 1525 154 154 LYS CB C 32.570 0.040 1 1526 154 154 LYS CG C 24.987 0.000 1 1527 154 154 LYS CD C 29.029 0.000 1 1528 154 154 LYS CE C 41.751 0.000 1 1529 154 154 LYS N N 121.079 0.008 1 1530 155 155 LYS H H 8.219 0.001 1 1531 155 155 LYS HA H 4.259 0.000 1 1532 155 155 LYS HB2 H 1.785 0.000 2 1533 155 155 LYS HB3 H 1.824 0.000 2 1534 155 155 LYS HG2 H 1.417 0.000 2 1535 155 155 LYS HG3 H 1.460 0.000 2 1536 155 155 LYS HD2 H 1.668 0.000 2 1537 155 155 LYS HD3 H 1.693 0.000 2 1538 155 155 LYS HE2 H 2.953 0.000 2 1539 155 155 LYS HE3 H 2.978 0.000 2 1540 155 155 LYS C C 177.161 0.010 1 1541 155 155 LYS CA C 56.871 0.031 1 1542 155 155 LYS CB C 32.893 0.021 1 1543 155 155 LYS CG C 24.940 0.000 1 1544 155 155 LYS N N 121.075 0.010 1 1545 156 156 SER H H 8.288 0.002 1 1546 156 156 SER HB2 H 3.862 0.000 2 1547 156 156 SER HB3 H 3.902 0.000 2 1548 156 156 SER C C 174.944 0.017 1 1549 156 156 SER CA C 58.621 0.015 1 1550 156 156 SER CB C 63.767 0.032 1 1551 156 156 SER N N 116.297 0.010 1 1552 157 157 LYS H H 8.373 0.003 1 1553 157 157 LYS HA H 4.320 0.000 1 1554 157 157 LYS HB2 H 1.825 0.000 2 1555 157 157 LYS HB3 H 1.855 0.000 2 1556 157 157 LYS HG2 H 1.421 0.000 2 1557 157 157 LYS HG3 H 1.454 0.000 2 1558 157 157 LYS HD2 H 1.714 0.000 2 1559 157 157 LYS HD3 H 1.744 0.000 2 1560 157 157 LYS HE2 H 2.953 0.000 2 1561 157 157 LYS HE3 H 2.976 0.000 2 1562 157 157 LYS C C 176.697 0.007 1 1563 157 157 LYS CA C 56.379 0.057 1 1564 157 157 LYS CB C 32.876 0.071 1 1565 157 157 LYS CG C 24.836 0.000 1 1566 157 157 LYS CD C 29.019 0.000 1 1567 157 157 LYS CE C 42.232 0.000 1 1568 157 157 LYS N N 123.315 0.012 1 1569 158 158 LYS H H 8.324 0.002 1 1570 158 158 LYS HA H 4.327 0.000 1 1571 158 158 LYS HB2 H 1.762 0.000 2 1572 158 158 LYS HB3 H 1.804 0.000 2 1573 158 158 LYS HG2 H 1.409 0.000 2 1574 158 158 LYS HG3 H 1.449 0.000 2 1575 158 158 LYS HD2 H 1.619 0.000 2 1576 158 158 LYS HD3 H 1.657 0.000 2 1577 158 158 LYS HE2 H 2.952 0.000 2 1578 158 158 LYS HE3 H 2.984 0.000 2 1579 158 158 LYS C C 177.354 0.004 1 1580 158 158 LYS CA C 56.500 0.026 1 1581 158 158 LYS CB C 33.220 0.059 1 1582 158 158 LYS CG C 24.722 0.000 1 1583 158 158 LYS CD C 29.092 0.000 1 1584 158 158 LYS CE C 42.100 0.000 1 1585 158 158 LYS N N 122.120 0.008 1 1586 159 159 GLY H H 8.542 0.001 1 1587 159 159 GLY HA2 H 3.921 0.000 2 1588 159 159 GLY HA3 H 3.969 0.000 2 1589 159 159 GLY C C 174.450 0.005 1 1590 159 159 GLY CA C 45.150 0.007 1 1591 159 159 GLY N N 109.926 0.007 1 1592 160 160 LEU H H 8.315 0.002 1 1593 160 160 LEU HA H 4.316 0.000 1 1594 160 160 LEU HB2 H 1.585 0.000 2 1595 160 160 LEU HB3 H 1.660 0.000 2 1596 160 160 LEU HG H 1.546 0.000 1 1597 160 160 LEU HD1 H 0.874 0.000 2 1598 160 160 LEU HD2 H 0.902 0.000 2 1599 160 160 LEU C C 177.915 0.005 1 1600 160 160 LEU CA C 55.398 0.030 1 1601 160 160 LEU CB C 42.223 0.010 1 1602 160 160 LEU CG C 26.916 0.000 1 1603 160 160 LEU CD1 C 24.906 0.000 2 1604 160 160 LEU CD2 C 23.198 0.000 2 1605 160 160 LEU N N 121.664 0.009 1 1606 161 161 GLN H H 8.615 0.001 1 1607 161 161 GLN HA H 4.327 0.000 1 1608 161 161 GLN HB2 H 1.989 0.000 2 1609 161 161 GLN HB3 H 2.141 0.000 2 1610 161 161 GLN HG2 H 2.338 0.000 2 1611 161 161 GLN HG3 H 2.367 0.000 2 1612 161 161 GLN C C 176.596 0.009 1 1613 161 161 GLN CA C 55.913 0.018 1 1614 161 161 GLN CB C 29.163 0.034 1 1615 161 161 GLN CG C 33.737 0.000 1 1616 161 161 GLN N N 120.647 0.009 1 1617 162 162 GLY H H 8.446 0.002 1 1618 162 162 GLY HA2 H 3.896 0.000 2 1619 162 162 GLY HA3 H 3.946 0.000 2 1620 162 162 GLY C C 174.116 0.006 1 1621 162 162 GLY CA C 45.324 0.039 1 1622 162 162 GLY N N 110.079 0.009 1 1623 163 163 GLU H H 8.591 0.001 1 1624 163 163 GLU HA H 4.239 0.000 1 1625 163 163 GLU HB2 H 1.952 0.000 2 1626 163 163 GLU HB3 H 2.000 0.000 2 1627 163 163 GLU HG2 H 2.207 0.000 2 1628 163 163 GLU HG3 H 2.249 0.000 2 1629 163 163 GLU C C 176.221 0.005 1 1630 163 163 GLU CA C 56.464 0.016 1 1631 163 163 GLU CB C 30.206 0.052 1 1632 163 163 GLU CG C 36.189 0.000 1 1633 163 163 GLU N N 121.048 0.009 1 1634 164 164 ASN H H 8.601 0.001 1 1635 164 164 ASN HA H 4.608 0.000 1 1636 164 164 ASN HB2 H 2.686 0.000 2 1637 164 164 ASN HB3 H 2.732 0.000 2 1638 164 164 ASN C C 174.986 0.007 1 1639 164 164 ASN CA C 53.309 0.021 1 1640 164 164 ASN CB C 38.639 0.011 1 1641 164 164 ASN N N 119.517 0.010 1 1642 165 165 LEU H H 8.206 0.002 1 1643 165 165 LEU HA H 4.209 0.000 1 1644 165 165 LEU HB2 H 1.390 0.000 2 1645 165 165 LEU HB3 H 1.448 0.000 2 1646 165 165 LEU HG H 1.269 0.000 1 1647 165 165 LEU HD1 H 0.793 0.000 2 1648 165 165 LEU HD2 H 0.835 0.000 2 1649 165 165 LEU C C 176.822 0.008 1 1650 165 165 LEU CA C 55.083 0.009 1 1651 165 165 LEU CB C 42.264 0.006 1 1652 165 165 LEU CG C 26.844 0.000 1 1653 165 165 LEU CD1 C 24.831 0.000 2 1654 165 165 LEU CD2 C 23.133 0.000 2 1655 165 165 LEU N N 122.330 0.011 1 1656 166 166 TYR H H 8.099 0.002 1 1657 166 166 TYR HA H 4.511 0.000 1 1658 166 166 TYR HB2 H 2.811 0.000 2 1659 166 166 TYR HB3 H 2.941 0.000 2 1660 166 166 TYR C C 175.263 0.007 1 1661 166 166 TYR CA C 57.591 0.033 1 1662 166 166 TYR CB C 38.886 0.042 1 1663 166 166 TYR N N 119.866 0.008 1 1664 167 167 PHE H H 8.124 0.001 1 1665 167 167 PHE HA H 4.577 0.000 1 1666 167 167 PHE HB2 H 2.949 0.000 2 1667 167 167 PHE HB3 H 3.146 0.000 2 1668 167 167 PHE C C 174.553 0.004 1 1669 167 167 PHE CA C 57.847 0.044 1 1670 167 167 PHE CB C 39.646 0.014 1 1671 167 167 PHE N N 121.754 0.010 1 1672 168 168 GLN H H 7.863 0.001 1 1673 168 168 GLN C C 180.361 0.000 1 1674 168 168 GLN CA C 57.431 0.000 1 1675 168 168 GLN CB C 30.507 0.000 1 1676 168 168 GLN N N 126.254 0.010 1 stop_ save_