data_30471 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human Titin ZIg10 ; _BMRB_accession_number 30471 _BMRB_flat_file_name bmr30471.str _Entry_type original _Submission_date 2018-05-31 _Accession_date 2018-05-31 _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 Wright N. T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 515 "13C chemical shifts" 299 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-16 original BMRB . stop_ _Original_release_date 2018-07-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure and function of human titin ZIg10 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Letourneau A. G. . 2 Wright N. T. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Titin (E.C.2.7.11.1)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Titin _Molecular_mass 13965.898 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; RMAHEGALTGVTTDQKEKQK PDIVLYPEPVRVLEGETARF RCRVTGYPQPKVNWYLNGQL IRKSKRFRVRYDGIHYLDIV DCKSYDTGEVKVTAENPEGV IEHKVKLEIQQLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 MET 3 ALA 4 HIS 5 GLU 6 GLY 7 ALA 8 LEU 9 THR 10 GLY 11 VAL 12 THR 13 THR 14 ASP 15 GLN 16 LYS 17 GLU 18 LYS 19 GLN 20 LYS 21 PRO 22 ASP 23 ILE 24 VAL 25 LEU 26 TYR 27 PRO 28 GLU 29 PRO 30 VAL 31 ARG 32 VAL 33 LEU 34 GLU 35 GLY 36 GLU 37 THR 38 ALA 39 ARG 40 PHE 41 ARG 42 CYS 43 ARG 44 VAL 45 THR 46 GLY 47 TYR 48 PRO 49 GLN 50 PRO 51 LYS 52 VAL 53 ASN 54 TRP 55 TYR 56 LEU 57 ASN 58 GLY 59 GLN 60 LEU 61 ILE 62 ARG 63 LYS 64 SER 65 LYS 66 ARG 67 PHE 68 ARG 69 VAL 70 ARG 71 TYR 72 ASP 73 GLY 74 ILE 75 HIS 76 TYR 77 LEU 78 ASP 79 ILE 80 VAL 81 ASP 82 CYS 83 LYS 84 SER 85 TYR 86 ASP 87 THR 88 GLY 89 GLU 90 VAL 91 LYS 92 VAL 93 THR 94 ALA 95 GLU 96 ASN 97 PRO 98 GLU 99 GLY 100 VAL 101 ILE 102 GLU 103 HIS 104 LYS 105 VAL 106 LYS 107 LEU 108 GLU 109 ILE 110 GLN 111 GLN 112 LEU 113 GLU 114 HIS 115 HIS 116 HIS 117 HIS 118 HIS 119 HIS 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapienss TTN 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM TRIS, 50 mM sodium chloride, 1 mM [U-99% 13C; U-99% 15N] Human Titin ZIg10, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' $entity_1 1 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D H(CCO)NH' '3D HN(CA)CO' '3D HNCO' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ARG H H 8.83 0.02 1 2 1 1 ARG C C 171.4 0.2 1 3 1 1 ARG CA C 55.4 0.2 1 4 1 1 ARG CB C 30.7 0.2 1 5 1 1 ARG N N 126.6 0.1 1 6 7 7 ALA H H 7.82 0.02 1 7 7 7 ALA C C 176.7 0.2 1 8 7 7 ALA CA C 53.0 0.2 1 9 7 7 ALA CB C 19.8 0.2 1 10 7 7 ALA N N 129.5 0.1 1 11 8 8 LEU H H 7.86 0.02 1 12 8 8 LEU CA C 56.0 0.2 1 13 8 8 LEU CB C 43.0 0.2 1 14 8 8 LEU N N 127.3 0.1 1 15 9 9 THR H H 7.66 0.02 1 16 9 9 THR CA C 63.1 0.2 1 17 9 9 THR CB C 70.8 0.2 1 18 9 9 THR N N 121.9 0.1 1 19 11 11 VAL H H 7.97 0.02 1 20 11 11 VAL C C 173.9 0.2 1 21 11 11 VAL CA C 62.3 0.2 1 22 11 11 VAL CB C 32.8 0.2 1 23 11 11 VAL N N 119.3 0.1 1 24 12 12 THR H H 7.84 0.02 1 25 12 12 THR CA C 63.4 0.2 1 26 12 12 THR CB C 70.6 0.2 1 27 12 12 THR N N 121.9 0.1 1 28 14 14 ASP H H 8.39 0.02 1 29 14 14 ASP N N 121.5 0.1 1 30 15 15 GLN CA C 56.3 0.2 1 31 15 15 GLN CB C 30.8 0.2 1 32 16 16 LYS H H 7.90 0.02 1 33 16 16 LYS C C 175.8 0.2 1 34 16 16 LYS CA C 56.0 0.2 1 35 16 16 LYS CB C 32.7 0.2 1 36 16 16 LYS N N 113.6 0.1 1 37 17 17 GLU H H 7.90 0.02 1 38 17 17 GLU C C 176.1 0.2 1 39 17 17 GLU CA C 56.2 0.2 1 40 17 17 GLU CB C 30.4 0.2 1 41 17 17 GLU N N 121.6 0.1 1 42 18 18 LYS H H 8.31 0.02 1 43 18 18 LYS C C 176.6 0.2 1 44 18 18 LYS CA C 56.8 0.2 1 45 18 18 LYS CB C 33.1 0.2 1 46 18 18 LYS N N 121.9 0.1 1 47 19 19 GLN H H 9.48 0.02 1 48 19 19 GLN HA H 4.74 0.02 1 49 19 19 GLN HB2 H 1.96 0.02 2 50 19 19 GLN HB3 H 1.96 0.02 2 51 19 19 GLN HG2 H 2.43 0.02 2 52 19 19 GLN HG3 H 2.43 0.02 2 53 19 19 GLN C C 175.4 0.2 1 54 19 19 GLN CA C 55.4 0.2 1 55 19 19 GLN CB C 33.0 0.2 1 56 19 19 GLN N N 121.8 0.1 1 57 20 20 LYS H H 8.54 0.02 1 58 20 20 LYS N N 117.4 0.1 1 59 21 21 PRO HA H 5.01 0.02 1 60 21 21 PRO HB2 H 1.62 0.02 2 61 21 21 PRO HB3 H 1.62 0.02 2 62 21 21 PRO HG2 H 1.44 0.02 2 63 21 21 PRO HG3 H 1.44 0.02 2 64 21 21 PRO HD2 H 3.85 0.02 2 65 21 21 PRO HD3 H 3.85 0.02 2 66 21 21 PRO C C 174.6 0.2 1 67 21 21 PRO CA C 62.3 0.2 1 68 21 21 PRO CB C 32.6 0.2 1 69 22 22 ASP H H 8.08 0.02 1 70 22 22 ASP HA H 4.77 0.02 1 71 22 22 ASP HB2 H 2.33 0.02 2 72 22 22 ASP HB3 H 2.35 0.02 2 73 22 22 ASP C C 174.9 0.2 1 74 22 22 ASP CA C 52.5 0.2 1 75 22 22 ASP CB C 44.2 0.2 1 76 22 22 ASP N N 119.3 0.1 1 77 23 23 ILE H H 7.94 0.02 1 78 23 23 ILE HA H 4.00 0.02 1 79 23 23 ILE HB H 1.65 0.02 1 80 23 23 ILE HG12 H 1.05 0.02 2 81 23 23 ILE HG13 H 1.05 0.02 2 82 23 23 ILE HG2 H 0.3 0.02 1 83 23 23 ILE HD1 H 0.3 0.02 1 84 23 23 ILE C C 173.9 0.2 1 85 23 23 ILE CA C 61.6 0.2 1 86 23 23 ILE CB C 38.7 0.2 1 87 23 23 ILE N N 122.8 0.1 1 88 24 24 VAL H H 7.94 0.02 1 89 24 24 VAL HA H 4.35 0.02 1 90 24 24 VAL HB H 2.04 0.02 1 91 24 24 VAL HG1 H 0.79 0.02 2 92 24 24 VAL HG2 H 0.63 0.02 2 93 24 24 VAL C C 175.7 0.2 1 94 24 24 VAL CA C 61.3 0.2 1 95 24 24 VAL CB C 32.7 0.2 1 96 24 24 VAL N N 118.1 0.1 1 97 25 25 LEU H H 7.24 0.02 1 98 25 25 LEU HA H 4.73 0.02 1 99 25 25 LEU HB2 H 1.64 0.02 2 100 25 25 LEU HB3 H 1.68 0.02 2 101 25 25 LEU HG H 1.41 0.02 1 102 25 25 LEU HD1 H 0.64 0.02 2 103 25 25 LEU HD2 H 0.77 0.02 2 104 25 25 LEU C C 175.0 0.2 1 105 25 25 LEU CA C 55.2 0.2 1 106 25 25 LEU CB C 45.0 0.2 1 107 25 25 LEU N N 124.4 0.1 1 108 26 26 TYR H H 9.02 0.02 1 109 26 26 TYR HA H 4.25 0.02 1 110 26 26 TYR HB2 H 2.71 0.02 2 111 26 26 TYR HB3 H 2.71 0.02 2 112 26 26 TYR HD1 H 6.30 0.02 3 113 26 26 TYR HD2 H 6.30 0.02 3 114 26 26 TYR HE1 H 6.59 0.02 3 115 26 26 TYR HE2 H 6.59 0.02 3 116 26 26 TYR C C 174.3 0.2 1 117 26 26 TYR CA C 56.9 0.2 1 118 26 26 TYR CB C 38.0 0.2 1 119 26 26 TYR N N 125.8 0.1 1 120 29 29 PRO HA H 4.89 0.02 1 121 29 29 PRO HB2 H 2.16 0.02 2 122 29 29 PRO HB3 H 2.14 0.02 2 123 29 29 PRO HD2 H 3.85 0.02 2 124 29 29 PRO HD3 H 3.85 0.02 2 125 29 29 PRO C C 176.3 0.2 1 126 29 29 PRO CA C 63.2 0.2 1 127 29 29 PRO CB C 33.2 0.2 1 128 30 30 VAL H H 8.17 0.02 1 129 30 30 VAL HA H 4.42 0.02 1 130 30 30 VAL HB H 1.76 0.02 1 131 30 30 VAL HG1 H 0.86 0.02 2 132 30 30 VAL HG2 H 0.56 0.02 2 133 30 30 VAL C C 174.1 0.2 1 134 30 30 VAL CA C 61.4 0.2 1 135 30 30 VAL CB C 37.1 0.2 1 136 30 30 VAL N N 118.3 0.1 1 137 31 31 ARG H H 8.40 0.02 1 138 31 31 ARG HA H 5.62 0.02 1 139 31 31 ARG HB2 H 1.73 0.02 2 140 31 31 ARG HB3 H 1.73 0.02 2 141 31 31 ARG HG2 H 1.41 0.02 2 142 31 31 ARG HG3 H 1.41 0.02 2 143 31 31 ARG HD2 H 3.15 0.02 2 144 31 31 ARG HD3 H 3.15 0.02 2 145 31 31 ARG C C 175.4 0.2 1 146 31 31 ARG CA C 54.8 0.2 1 147 31 31 ARG CB C 32.2 0.2 1 148 31 31 ARG N N 129.2 0.1 1 149 32 32 VAL H H 8.45 0.02 1 150 32 32 VAL HA H 4.73 0.02 1 151 32 32 VAL HB H 1.92 0.02 1 152 32 32 VAL HG1 H 0.80 0.02 2 153 32 32 VAL HG2 H 0.63 0.02 2 154 32 32 VAL C C 174.5 0.2 1 155 32 32 VAL CA C 58.9 0.2 1 156 32 32 VAL CB C 36.0 0.2 1 157 32 32 VAL N N 119.0 0.1 1 158 33 33 LEU H H 8.44 0.02 1 159 33 33 LEU HA H 4.65 0.02 1 160 33 33 LEU HB2 H 1.45 0.02 2 161 33 33 LEU HB3 H 1.45 0.02 2 162 33 33 LEU HG H 1.31 0.02 1 163 33 33 LEU HD1 H 0.70 0.02 2 164 33 33 LEU HD2 H 0.80 0.02 2 165 33 33 LEU C C 176.9 0.2 1 166 33 33 LEU CA C 54.0 0.2 1 167 33 33 LEU CB C 43.2 0.2 1 168 33 33 LEU N N 121.8 0.1 1 169 34 34 GLU H H 7.95 0.02 1 170 34 34 GLU HA H 3.57 0.02 1 171 34 34 GLU HB2 H 1.88 0.02 2 172 34 34 GLU HB3 H 1.88 0.02 2 173 34 34 GLU HG2 H 2.35 0.02 2 174 34 34 GLU HG3 H 2.35 0.02 2 175 34 34 GLU C C 176.7 0.2 1 176 34 34 GLU CA C 58.4 0.2 1 177 34 34 GLU CB C 30.0 0.2 1 178 34 34 GLU N N 119.7 0.1 1 179 35 35 GLY H H 9.47 0.02 1 180 35 35 GLY HA2 H 3.93 0.02 2 181 35 35 GLY HA3 H 4.35 0.02 2 182 35 35 GLY C C 176.2 0.2 1 183 35 35 GLY CA C 44.5 0.2 1 184 35 35 GLY N N 112.0 0.1 1 185 36 36 GLU H H 8.12 0.02 1 186 36 36 GLU HA H 4.48 0.02 1 187 36 36 GLU HB2 H 2.12 0.02 2 188 36 36 GLU HB3 H 2.12 0.02 2 189 36 36 GLU HG2 H 2.38 0.02 2 190 36 36 GLU HG3 H 2.38 0.02 2 191 36 36 GLU C C 174.8 0.2 1 192 36 36 GLU CA C 56.4 0.2 1 193 36 36 GLU CB C 30.5 0.2 1 194 36 36 GLU N N 122.2 0.1 1 195 37 37 THR H H 8.41 0.02 1 196 37 37 THR HA H 5.27 0.02 1 197 37 37 THR HB H 3.90 0.02 1 198 37 37 THR HG2 H 0.87 0.02 1 199 37 37 THR C C 173.3 0.2 1 200 37 37 THR CA C 61.7 0.2 1 201 37 37 THR CB C 70.4 0.2 1 202 37 37 THR N N 116.4 0.1 1 203 38 38 ALA H H 9.10 0.02 1 204 38 38 ALA HA H 4.42 0.02 1 205 38 38 ALA HB H 1.28 0.02 1 206 38 38 ALA C C 174.9 0.2 1 207 38 38 ALA CA C 50.4 0.2 1 208 38 38 ALA CB C 22.6 0.2 1 209 38 38 ALA N N 131.1 0.1 1 210 39 39 ARG H H 7.84 0.02 1 211 39 39 ARG HA H 5.24 0.02 1 212 39 39 ARG HB2 H 1.47 0.02 2 213 39 39 ARG HB3 H 1.47 0.02 2 214 39 39 ARG HG2 H 1.78 0.02 2 215 39 39 ARG HG3 H 1.78 0.02 2 216 39 39 ARG HD2 H 3.04 0.02 2 217 39 39 ARG HD3 H 3.04 0.02 2 218 39 39 ARG C C 175.0 0.2 1 219 39 39 ARG CA C 55.5 0.2 1 220 39 39 ARG CB C 31.9 0.2 1 221 39 39 ARG N N 120.8 0.1 1 222 40 40 PHE H H 9.38 0.02 1 223 40 40 PHE HA H 4.94 0.02 1 224 40 40 PHE HB2 H 3.02 0.02 2 225 40 40 PHE HB3 H 2.53 0.02 . 226 40 40 PHE C C 175.1 0.2 1 227 40 40 PHE CA C 56.4 0.2 1 228 40 40 PHE CB C 34.5 0.2 1 229 40 40 PHE N N 120.3 0.1 1 230 41 41 ARG H H 8.94 0.02 1 231 41 41 ARG HA H 5.63 0.02 1 232 41 41 ARG HB2 H 1.74 0.02 2 233 41 41 ARG HB3 H 1.75 0.02 2 234 41 41 ARG HG2 H 1.45 0.02 2 235 41 41 ARG HG3 H 1.45 0.02 2 236 41 41 ARG HD2 H 3.00 0.02 2 237 41 41 ARG HD3 H 3.00 0.02 2 238 41 41 ARG C C 174.7 0.2 1 239 41 41 ARG CA C 54.8 0.2 1 240 41 41 ARG CB C 33.9 0.2 1 241 41 41 ARG N N 120.8 0.1 1 242 42 42 CYS H H 9.15 0.02 1 243 42 42 CYS HA H 4.82 0.02 1 244 42 42 CYS HB2 H 1.66 0.02 2 245 42 42 CYS HB3 H 1.66 0.02 2 246 42 42 CYS C C 172.4 0.2 1 247 42 42 CYS CA C 57.5 0.2 1 248 42 42 CYS CB C 30.6 0.2 1 249 42 42 CYS N N 115.8 0.1 1 250 43 43 ARG H H 8.64 0.02 1 251 43 43 ARG HA H 5.20 0.02 1 252 43 43 ARG HB2 H 1.87 0.02 2 253 43 43 ARG HB3 H 1.87 0.02 2 254 43 43 ARG HG2 H 1.45 0.02 2 255 43 43 ARG HG3 H 1.45 0.02 2 256 43 43 ARG HD2 H 3.00 0.02 2 257 43 43 ARG HD3 H 3.00 0.02 2 258 43 43 ARG C C 174.7 0.2 1 259 43 43 ARG CA C 55.7 0.2 1 260 43 43 ARG CB C 35.3 0.2 1 261 43 43 ARG N N 126.9 0.1 1 262 44 44 VAL H H 9.32 0.02 1 263 44 44 VAL HA H 5.30 0.02 1 264 44 44 VAL HB H 2.01 0.02 1 265 44 44 VAL HG1 H 0.65 0.02 2 266 44 44 VAL HG2 H 0.65 0.02 2 267 44 44 VAL C C 178.3 0.2 1 268 44 44 VAL CA C 52.7 0.2 1 269 44 44 VAL CB C 34.9 0.2 1 270 44 44 VAL N N 122.8 0.1 1 271 45 45 THR H H 8.90 0.02 1 272 45 45 THR HA H 4.76 0.02 1 273 45 45 THR HB H 4.27 0.02 1 274 45 45 THR HG2 H 1.05 0.02 1 275 45 45 THR C C 173.2 0.2 1 276 45 45 THR CA C 59.4 0.2 1 277 45 45 THR CB C 71.4 0.2 1 278 45 45 THR N N 114.5 0.1 1 279 46 46 GLY H H 7.91 0.02 1 280 46 46 GLY HA2 H 3.92 0.02 2 281 46 46 GLY HA3 H 3.37 0.02 2 282 46 46 GLY C C 170.9 0.2 1 283 46 46 GLY CA C 44.9 0.2 1 284 46 46 GLY N N 106.5 0.1 1 285 47 47 TYR H H 8.25 0.02 1 286 47 47 TYR HA H 4.38 0.02 1 287 47 47 TYR HB2 H 3.01 0.02 2 288 47 47 TYR HB3 H 3.01 0.02 2 289 47 47 TYR HD1 H 6.9 0.02 2 290 47 47 TYR HD2 H 6.9 0.02 2 291 47 47 TYR C C 172.9 0.2 1 292 47 47 TYR CA C 57.2 0.2 1 293 47 47 TYR CB C 41.2 0.2 1 294 47 47 TYR N N 120.7 0.1 1 295 48 48 PRO C C 174.9 0.2 1 296 48 48 PRO CA C 62.6 0.2 1 297 48 48 PRO CB C 32.0 0.2 1 298 49 49 GLN H H 8.36 0.02 1 299 49 49 GLN HA H 5.02 0.02 1 300 49 49 GLN HB2 H 1.86 0.02 2 301 49 49 GLN HB3 H 1.86 0.02 2 302 49 49 GLN HG2 H 2.46 0.02 2 303 49 49 GLN HG3 H 2.46 0.02 2 304 49 49 GLN C C 174.0 0.2 1 305 49 49 GLN CA C 53.6 0.2 1 306 49 49 GLN CB C 31.6 0.2 1 307 49 49 GLN N N 120.4 0.1 1 308 50 50 PRO HA H 4.34 0.02 1 309 50 50 PRO HB2 H 1.72 0.02 2 310 50 50 PRO HB3 H 1.72 0.02 2 311 50 50 PRO HG2 H 1.39 0.02 2 312 50 50 PRO HG3 H 1.39 0.02 2 313 50 50 PRO HD2 H 3.81 0.02 2 314 50 50 PRO HD3 H 3.81 0.02 2 315 50 50 PRO C C 175.3 0.2 1 316 50 50 PRO CA C 62.7 0.2 1 317 50 50 PRO CB C 32.9 0.2 1 318 51 51 LYS H H 8.92 0.02 1 319 51 51 LYS HA H 4.42 0.02 1 320 51 51 LYS HB2 H 1.71 0.02 2 321 51 51 LYS HB3 H 1.71 0.02 2 322 51 51 LYS HG2 H 1.35 0.02 2 323 51 51 LYS HG3 H 1.35 0.02 2 324 51 51 LYS HD2 H 1.64 0.02 2 325 51 51 LYS HD3 H 1.64 0.02 2 326 51 51 LYS HE2 H 3.13 0.02 2 327 51 51 LYS HE3 H 3.13 0.02 2 328 51 51 LYS C C 176.5 0.2 1 329 51 51 LYS CA C 55.3 0.2 1 330 51 51 LYS CB C 32.9 0.2 1 331 51 51 LYS N N 123.6 0.1 1 332 52 52 VAL H H 8.54 0.02 1 333 52 52 VAL HA H 4.87 0.02 1 334 52 52 VAL HB H 0.81 0.02 1 335 52 52 VAL HG1 H 0.12 0.02 2 336 52 52 VAL HG2 H -0.2 0.02 2 337 52 52 VAL C C 174.6 0.2 1 338 52 52 VAL CA C 61.0 0.2 1 339 52 52 VAL CB C 33.5 0.2 1 340 52 52 VAL N N 129.9 0.1 1 341 53 53 ASN H H 8.32 0.02 1 342 53 53 ASN HA H 4.86 0.02 1 343 53 53 ASN HB2 H 2.10 0.02 2 344 53 53 ASN HB3 H 2.50 0.02 2 345 53 53 ASN C C 171.4 0.2 1 346 53 53 ASN CA C 51.6 0.2 1 347 53 53 ASN CB C 43.6 0.2 1 348 53 53 ASN N N 125.8 0.1 1 349 54 54 TRP H H 8.88 0.02 1 350 54 54 TRP HA H 5.45 0.02 1 351 54 54 TRP HB2 H 2.67 0.02 2 352 54 54 TRP HB3 H 2.91 0.02 2 353 54 54 TRP C C 174.8 0.2 1 354 54 54 TRP CA C 55.1 0.2 1 355 54 54 TRP CB C 33.1 0.2 1 356 54 54 TRP N N 119.1 0.1 1 357 55 55 TYR H H 9.53 0.02 1 358 55 55 TYR HA H 5.11 0.02 1 359 55 55 TYR HB2 H 2.28 0.02 2 360 55 55 TYR HB3 H 2.86 0.02 2 361 55 55 TYR C C 174.8 0.2 1 362 55 55 TYR CA C 56.2 0.2 1 363 55 55 TYR CB C 42.5 0.2 1 364 55 55 TYR N N 117.8 0.1 1 365 56 56 LEU H H 8.52 0.02 1 366 56 56 LEU HA H 5.22 0.02 1 367 56 56 LEU HB2 H 1.51 0.02 2 368 56 56 LEU HB3 H 1.51 0.02 2 369 56 56 LEU HD1 H 1.12 0.02 2 370 56 56 LEU HD2 H 0.86 0.02 2 371 56 56 LEU C C 176.8 0.2 1 372 56 56 LEU CA C 53.3 0.2 1 373 56 56 LEU CB C 44.1 0.2 1 374 56 56 LEU N N 121.5 0.1 1 375 57 57 ASN H H 9.84 0.02 1 376 57 57 ASN HA H 4.59 0.02 1 377 57 57 ASN HB2 H 2.93 0.02 2 378 57 57 ASN HB3 H 2.93 0.02 2 379 57 57 ASN C C 175.8 0.2 1 380 57 57 ASN CA C 55.4 0.2 1 381 57 57 ASN CB C 37.4 0.2 1 382 57 57 ASN N N 128.3 0.1 1 383 58 58 GLY H H 9.42 0.02 1 384 58 58 GLY HA2 H 4.61 0.02 2 385 58 58 GLY HA3 H 3.45 0.02 2 386 58 58 GLY C C 173.7 0.2 1 387 58 58 GLY CA C 45.4 0.2 1 388 58 58 GLY N N 107.3 0.1 1 389 59 59 GLN H H 7.96 0.02 1 390 59 59 GLN HA H 4.66 0.02 1 391 59 59 GLN HB2 H 2.13 0.02 2 392 59 59 GLN HB3 H 2.13 0.02 2 393 59 59 GLN HG2 H 2.34 0.02 2 394 59 59 GLN HG3 H 2.34 0.02 2 395 59 59 GLN C C 175.1 0.2 1 396 59 59 GLN CA C 54.3 0.2 1 397 59 59 GLN CB C 29.9 0.2 1 398 59 59 GLN N N 121.0 0.1 1 399 60 60 LEU H H 8.68 0.02 1 400 60 60 LEU HA H 3.50 0.02 1 401 60 60 LEU HB2 H 1.53 0.02 2 402 60 60 LEU HB3 H 1.53 0.02 2 403 60 60 LEU HD1 H 1.20 0.02 2 404 60 60 LEU HD2 H 1.20 0.02 2 405 60 60 LEU C C 176.7 0.2 1 406 60 60 LEU CA C 56.2 0.2 1 407 60 60 LEU CB C 42.2 0.2 1 408 60 60 LEU N N 128.7 0.1 1 409 61 61 ILE H H 8.77 0.02 1 410 61 61 ILE HA H 3.60 0.02 1 411 61 61 ILE HB H 1.53 0.02 1 412 61 61 ILE HG12 H 1.22 0.02 2 413 61 61 ILE HG13 H 1.22 0.02 2 414 61 61 ILE HG2 H 0.36 0.02 1 415 61 61 ILE HD1 H 0.42 0.02 1 416 61 61 ILE C C 175.2 0.2 1 417 61 61 ILE CA C 61.9 0.2 1 418 61 61 ILE CB C 37.5 0.2 1 419 61 61 ILE N N 129.6 0.1 1 420 62 62 ARG H H 7.72 0.02 1 421 62 62 ARG HA H 4.53 0.02 1 422 62 62 ARG HB2 H 1.81 0.02 2 423 62 62 ARG HB3 H 1.81 0.02 2 424 62 62 ARG HG2 H 1.64 0.02 2 425 62 62 ARG HG3 H 1.64 0.02 2 426 62 62 ARG HD2 H 3.19 0.02 2 427 62 62 ARG HD3 H 3.19 0.02 2 428 62 62 ARG C C 175.0 0.2 1 429 62 62 ARG CA C 53.8 0.2 1 430 62 62 ARG CB C 32.3 0.2 1 431 62 62 ARG N N 127.5 0.1 1 432 63 63 LYS HA H 4.35 0.02 1 433 63 63 LYS HB2 H 1.87 0.02 2 434 63 63 LYS HB3 H 1.87 0.02 2 435 63 63 LYS C C 176.4 0.2 1 436 63 63 LYS CA C 58.1 0.2 1 437 63 63 LYS CB C 32.8 0.2 1 438 64 64 SER H H 9.24 0.02 1 439 64 64 SER HA H 4.67 0.02 1 440 64 64 SER HB2 H 4.67 0.02 2 441 64 64 SER HB3 H 4.67 0.02 2 442 64 64 SER C C 176.2 0.2 1 443 64 64 SER CA C 57.5 0.2 1 444 64 64 SER CB C 65.3 0.2 1 445 64 64 SER N N 120.0 0.1 1 446 66 66 ARG HA H 4.31 0.02 1 447 66 66 ARG HB2 H 1.87 0.02 2 448 66 66 ARG HB3 H 1.87 0.02 2 449 66 66 ARG HG2 H 1.46 0.02 2 450 66 66 ARG HG3 H 1.46 0.02 2 451 66 66 ARG HD2 H 2.94 0.02 2 452 66 66 ARG HD3 H 2.94 0.02 2 453 66 66 ARG C C 174.0 0.2 1 454 66 66 ARG CA C 56.8 0.2 1 455 66 66 ARG CB C 30.7 0.2 1 456 67 67 PHE H H 7.09 0.02 1 457 67 67 PHE HA H 5.33 0.02 1 458 67 67 PHE HB2 H 3.20 0.02 2 459 67 67 PHE HB3 H 2.50 0.02 2 460 67 67 PHE HD1 H 7.25 0.02 3 461 67 67 PHE HD2 H 7.25 0.02 3 462 67 67 PHE C C 174.6 0.2 1 463 67 67 PHE CA C 55.3 0.2 1 464 67 67 PHE CB C 40.2 0.2 1 465 67 67 PHE N N 117.1 0.1 1 466 68 68 ARG H H 9.07 0.02 1 467 68 68 ARG HA H 4.79 0.02 1 468 68 68 ARG HB2 H 1.86 0.02 2 469 68 68 ARG HB3 H 1.86 0.02 2 470 68 68 ARG HG2 H 1.56 0.02 2 471 68 68 ARG HG3 H 1.56 0.02 2 472 68 68 ARG HD2 H 3.16 0.02 2 473 68 68 ARG HD3 H 3.16 0.02 2 474 68 68 ARG C C 175.3 0.2 1 475 68 68 ARG CA C 54.9 0.2 1 476 68 68 ARG CB C 30.7 0.2 1 477 68 68 ARG N N 122.2 0.1 1 478 69 69 VAL H H 7.81 0.02 1 479 69 69 VAL HA H 5.06 0.02 1 480 69 69 VAL HB H 2.00 0.02 1 481 69 69 VAL HG1 H 1.15 0.02 2 482 69 69 VAL HG2 H 0.84 0.02 2 483 69 69 VAL C C 175.8 0.2 1 484 69 69 VAL CA C 60.7 0.2 1 485 69 69 VAL CB C 34.9 0.2 1 486 69 69 VAL N N 123.1 0.1 1 487 70 70 ARG H H 8.82 0.02 1 488 70 70 ARG HA H 5.00 0.02 1 489 70 70 ARG HB2 H 1.83 0.02 2 490 70 70 ARG HB3 H 1.83 0.02 2 491 70 70 ARG HG2 H 1.43 0.02 2 492 70 70 ARG HG3 H 1.43 0.02 2 493 70 70 ARG HD2 H 3.16 0.02 2 494 70 70 ARG HD3 H 3.16 0.02 2 495 70 70 ARG C C 174.3 0.2 1 496 70 70 ARG CA C 55.1 0.2 1 497 70 70 ARG CB C 34.6 0.2 1 498 70 70 ARG N N 123.6 0.1 1 499 71 71 TYR H H 9.31 0.02 1 500 71 71 TYR HA H 5.74 0.02 1 501 71 71 TYR HB2 H 2.66 0.02 2 502 71 71 TYR HB3 H 2.66 0.02 2 503 71 71 TYR C C 174.7 0.2 1 504 71 71 TYR CA C 56.9 0.2 1 505 71 71 TYR CB C 41.3 0.2 1 506 72 72 ASP H H 8.47 0.02 1 507 72 72 ASP HA H 4.44 0.02 1 508 72 72 ASP HB2 H 3.08 0.02 2 509 72 72 ASP HB3 H 3.08 0.02 2 510 72 72 ASP C C 175.9 0.2 1 511 72 72 ASP CA C 52.7 0.2 1 512 72 72 ASP CB C 41.9 0.2 1 513 72 72 ASP N N 128.2 0.1 1 514 73 73 GLY HA2 H 4.45 0.02 2 515 73 73 GLY HA3 H 3.20 0.02 2 516 73 73 GLY C C 174.6 0.02 1 517 73 73 GLY CA C 46.2 0.02 1 518 74 74 ILE H H 8.21 0.02 1 519 74 74 ILE HA H 4.01 0.02 1 520 74 74 ILE HB H 1.6 0.02 1 521 74 74 ILE HG12 H 1.21 0.02 2 522 74 74 ILE HG13 H 1.21 0.02 2 523 74 74 ILE HG2 H 0.72 0.02 1 524 74 74 ILE HD1 H 0.20 0.02 1 525 74 74 ILE C C 173.8 0.2 1 526 74 74 ILE CA C 60.9 0.2 1 527 74 74 ILE CB C 39.6 0.2 1 528 74 74 ILE N N 124.6 0.1 1 529 75 75 HIS H H 8.87 0.02 1 530 75 75 HIS HA H 5.14 0.02 1 531 75 75 HIS HB2 H 3.33 0.02 2 532 75 75 HIS HB3 H 3.55 0.02 2 533 75 75 HIS HD1 H 7.03 0.02 1 534 75 75 HIS HD2 H 7.03 0.02 1 535 75 75 HIS C C 174.6 0.2 1 536 75 75 HIS CA C 57.8 0.2 1 537 75 75 HIS CB C 32.3 0.2 1 538 75 75 HIS N N 124.3 0.1 1 539 76 76 TYR H H 9.23 0.02 1 540 76 76 TYR HA H 5.31 0.02 1 541 76 76 TYR HB2 H 3.20 0.02 2 542 76 76 TYR HB3 H 3.20 0.02 2 543 76 76 TYR HD1 H 7.02 0.02 3 544 76 76 TYR HD2 H 7.02 0.02 3 545 76 76 TYR C C 174.8 0.2 1 546 76 76 TYR CA C 57.5 0.2 1 547 76 76 TYR CB C 41.6 0.2 1 548 76 76 TYR N N 120.7 0.1 1 549 77 77 LEU H H 8.05 0.02 1 550 77 77 LEU HA H 4.85 0.02 1 551 77 77 LEU HB2 H 1.44 0.02 2 552 77 77 LEU HB3 H 1.44 0.02 2 553 77 77 LEU HD1 H 0.14 0.02 2 554 77 77 LEU HD2 H -0.8 0.02 2 555 77 77 LEU C C 174.0 0.2 1 556 77 77 LEU CA C 53.5 0.2 1 557 77 77 LEU CB C 42.8 0.2 1 558 77 77 LEU N N 123.0 0.1 1 559 78 78 ASP H H 8.95 0.02 1 560 78 78 ASP HA H 4.78 0.02 1 561 78 78 ASP HB2 H 2.67 0.02 2 562 78 78 ASP HB3 H 2.32 0.02 2 563 78 78 ASP C C 174.7 0.2 1 564 78 78 ASP CA C 52.5 0.2 1 565 78 78 ASP CB C 43.0 0.2 1 566 78 78 ASP N N 126.0 0.1 1 567 79 79 ILE H H 9.27 0.02 1 568 79 79 ILE HA H 4.62 0.02 1 569 79 79 ILE HB H 1.74 0.02 1 570 79 79 ILE HG12 H 1.07 0.02 2 571 79 79 ILE HG13 H 1.07 0.02 2 572 79 79 ILE HG2 H 0.80 0.02 1 573 79 79 ILE HD1 H 0.61 0.02 1 574 79 79 ILE C C 174.8 0.2 1 575 79 79 ILE CA C 61.0 0.2 1 576 79 79 ILE CB C 38.9 0.2 1 577 79 79 ILE N N 122.8 0.1 1 578 80 80 VAL H H 8.79 0.02 1 579 80 80 VAL HA H 4.11 0.02 1 580 80 80 VAL HB H 1.93 0.02 1 581 80 80 VAL HG1 H 0.84 0.02 2 582 80 80 VAL HG2 H 0.84 0.02 2 583 80 80 VAL C C 175.2 0.2 1 584 80 80 VAL CA C 61.6 0.2 1 585 80 80 VAL CB C 33.1 0.2 1 586 80 80 VAL N N 126.4 0.1 1 587 81 81 ASP H H 8.05 0.02 1 588 81 81 ASP HA H 3.91 0.02 1 589 81 81 ASP HB2 H 2.25 0.02 2 590 81 81 ASP HB3 H 2.25 0.02 2 591 81 81 ASP C C 175.4 0.2 1 592 81 81 ASP CA C 53.8 0.2 1 593 81 81 ASP CB C 38.7 0.2 1 594 81 81 ASP N N 122.3 0.1 1 595 82 82 CYS H H 7.95 0.02 1 596 82 82 CYS HA H 4.00 0.02 1 597 82 82 CYS HB2 H 2.75 0.02 2 598 82 82 CYS HB3 H 2.75 0.02 2 599 82 82 CYS C C 175.7 0.2 1 600 82 82 CYS CA C 61.3 0.2 1 601 82 82 CYS CB C 28.7 0.2 1 602 82 82 CYS N N 113.9 0.1 1 603 83 83 LYS H H 9.32 0.02 1 604 83 83 LYS HA H 4.62 0.02 1 605 83 83 LYS HB2 H 1.74 0.02 2 606 83 83 LYS HB3 H 1.74 0.02 2 607 83 83 LYS HG2 H 1.54 0.02 2 608 83 83 LYS HG3 H 1.54 0.02 2 609 83 83 LYS HD2 H 1.64 0.02 2 610 83 83 LYS HD3 H 1.64 0.02 2 611 83 83 LYS HE2 H 3.00 0.02 2 612 83 83 LYS HE3 H 3.00 0.02 2 613 83 83 LYS C C 178.3 0.2 1 614 83 83 LYS CA C 52.7 0.2 1 615 83 83 LYS CB C 34.9 0.2 1 616 83 83 LYS N N 122.8 0.1 1 617 84 84 SER H H 9.36 0.02 1 618 84 84 SER HA H 4.76 0.02 1 619 84 84 SER HB2 H 3.80 0.02 2 620 84 84 SER HB3 H 3.80 0.02 2 621 84 84 SER C C 176.1 0.2 1 622 84 84 SER CA C 62.1 0.2 1 623 84 84 SER CB C 62.1 0.2 1 624 84 84 SER N N 117.9 0.1 1 625 85 85 TYR H H 6.49 0.02 1 626 85 85 TYR HA H 4.70 0.02 1 627 85 85 TYR HB2 H 2.92 0.02 2 628 85 85 TYR HB3 H 3.42 0.02 2 629 85 85 TYR C C 176.2 0.2 1 630 85 85 TYR CA C 56.9 0.2 1 631 85 85 TYR CB C 36.4 0.2 1 632 85 85 TYR N N 114.6 0.1 1 633 86 86 ASP H H 8.10 0.02 1 634 86 86 ASP HA H 4.68 0.02 1 635 86 86 ASP HB2 H 2.74 0.02 2 636 86 86 ASP HB3 H 2.74 0.02 2 637 86 86 ASP C C 173.9 0.2 1 638 86 86 ASP CA C 56.2 0.2 1 639 86 86 ASP CB C 41.3 0.2 1 640 86 86 ASP N N 123.3 0.1 1 641 87 87 THR H H 7.00 0.02 1 642 87 87 THR HA H 3.84 0.02 1 643 87 87 THR HB H 4.19 0.02 1 644 87 87 THR HG2 H 1.48 0.02 1 645 87 87 THR C C 175.0 0.2 1 646 87 87 THR CA C 64.3 0.2 1 647 87 87 THR CB C 70.7 0.2 1 648 87 87 THR N N 112.1 0.1 1 649 88 88 GLY H H 9.23 0.02 1 650 88 88 GLY HA2 H 5.30 0.02 2 651 88 88 GLY HA3 H 3.70 0.02 2 652 88 88 GLY C C 172.5 0.2 1 653 88 88 GLY CA C 46.0 0.2 1 654 88 88 GLY N N 114.9 0.1 1 655 89 89 GLU H H 8.56 0.02 1 656 89 89 GLU HA H 4.96 0.02 1 657 89 89 GLU HB2 H 1.87 0.02 2 658 89 89 GLU HB3 H 1.87 0.02 2 659 89 89 GLU HG2 H 2.11 0.02 2 660 89 89 GLU HG3 H 2.11 0.02 2 661 89 89 GLU C C 175.0 0.2 1 662 89 89 GLU CA C 55.2 0.2 1 663 89 89 GLU CB C 34.4 0.2 1 664 89 89 GLU N N 125.0 0.1 1 665 90 90 VAL H H 9.18 0.02 1 666 90 90 VAL HA H 4.90 0.02 1 667 90 90 VAL HB H 1.40 0.02 1 668 90 90 VAL HG1 H 0.61 0.02 2 669 90 90 VAL HG2 H 0.31 0.02 2 670 90 90 VAL C C 173.7 0.2 1 671 90 90 VAL CA C 61.3 0.2 1 672 90 90 VAL CB C 33.1 0.2 1 673 90 90 VAL N N 129.5 0.1 1 674 91 91 LYS H H 9.08 0.02 1 675 91 91 LYS HA H 5.44 0.02 1 676 91 91 LYS HB2 H 1.80 0.02 2 677 91 91 LYS HB3 H 1.80 0.02 2 678 91 91 LYS HG2 H 1.44 0.02 2 679 91 91 LYS HG3 H 1.44 0.02 2 680 91 91 LYS HD2 H 1.72 0.02 2 681 91 91 LYS HD3 H 1.72 0.02 2 682 91 91 LYS HE2 H 3.00 0.02 2 683 91 91 LYS HE3 H 3.00 0.02 2 684 91 91 LYS C C 173.7 0.2 1 685 91 91 LYS CA C 53.3 0.2 1 686 91 91 LYS CB C 37.1 0.2 1 687 91 91 LYS N N 128.6 0.1 1 688 92 92 VAL H H 8.94 0.02 1 689 92 92 VAL HA H 5.13 0.02 1 690 92 92 VAL HB H 2.20 0.02 1 691 92 92 VAL HG1 H 1.24 0.02 2 692 92 92 VAL HG2 H 1.24 0.02 2 693 92 92 VAL C C 173.5 0.2 1 694 92 92 VAL CA C 58.1 0.2 1 695 92 92 VAL CB C 35.1 0.2 1 696 92 92 VAL N N 125.7 0.1 1 697 93 93 THR H H 8.78 0.02 1 698 93 93 THR HA H 5.24 0.02 1 699 93 93 THR HB H 4.06 0.02 1 700 93 93 THR HG2 H 1.01 0.02 1 701 93 93 THR C C 172.8 0.2 1 702 93 93 THR CA C 59.1 0.2 1 703 93 93 THR CB C 71.8 0.2 1 704 93 93 THR N N 116.6 0.1 1 705 94 94 ALA H H 8.71 0.02 1 706 94 94 ALA HA H 5.20 0.02 1 707 94 94 ALA HB H 0.91 0.02 1 708 94 94 ALA C C 175.1 0.2 1 709 94 94 ALA CA C 49.7 0.2 1 710 94 94 ALA CB C 21.9 0.2 1 711 94 94 ALA N N 123.0 0.1 1 712 95 95 GLU H H 8.51 0.02 1 713 95 95 GLU HA H 5.39 0.02 1 714 95 95 GLU HB2 H 1.88 0.02 2 715 95 95 GLU HB3 H 1.88 0.02 2 716 95 95 GLU HG2 H 2.12 0.02 2 717 95 95 GLU HG3 H 2.12 0.02 2 718 95 95 GLU C C 174.6 0.2 1 719 95 95 GLU CA C 54.6 0.2 1 720 95 95 GLU CB C 34.9 0.2 1 721 95 95 GLU N N 120.8 0.1 1 722 96 96 ASN H H 9.21 0.02 1 723 96 96 ASN HA H 4.81 0.02 1 724 96 96 ASN HB2 H 3.13 0.02 2 725 96 96 ASN HB3 H 3.13 0.02 2 726 96 96 ASN C C 173.7 0.2 1 727 96 96 ASN CA C 51.9 0.2 1 728 96 96 ASN CB C 39.6 0.2 1 729 96 96 ASN N N 126.2 0.1 1 730 97 97 PRO HA H 4.31 0.02 1 731 97 97 PRO HB2 H 1.81 0.02 2 732 97 97 PRO HB3 H 1.81 0.02 2 733 97 97 PRO HG2 H 2.46 0.02 2 734 97 97 PRO HG3 H 2.46 0.02 2 735 97 97 PRO HD2 H 3.81 0.02 2 736 97 97 PRO HD3 H 3.81 0.02 2 737 97 97 PRO C C 176.8 0.2 1 738 97 97 PRO CA C 65.9 0.2 1 739 97 97 PRO CB C 31.5 0.2 1 740 98 98 GLU H H 7.72 0.02 1 741 98 98 GLU HA H 4.37 0.02 1 742 98 98 GLU HB2 H 1.92 0.02 2 743 98 98 GLU HB3 H 1.92 0.02 2 744 98 98 GLU HG2 H 2.22 0.02 2 745 98 98 GLU HG3 H 2.22 0.02 2 746 98 98 GLU C C 176.8 0.2 1 747 98 98 GLU CA C 55.1 0.2 1 748 98 98 GLU CB C 30.4 0.2 1 749 98 98 GLU N N 112.0 0.1 1 750 99 99 GLY H H 7.88 0.02 1 751 99 99 GLY HA2 H 4.00 0.02 2 752 99 99 GLY HA3 H 4.33 0.02 2 753 99 99 GLY C C 171.4 0.2 1 754 99 99 GLY CA C 45.9 0.2 1 755 99 99 GLY N N 106.4 0.1 1 756 100 100 VAL H H 8.31 0.02 1 757 100 100 VAL HA H 5.23 0.02 1 758 100 100 VAL HB H 1.95 0.02 1 759 100 100 VAL HG1 H 0.85 0.02 2 760 100 100 VAL HG2 H 0.85 0.02 2 761 100 100 VAL C C 174.3 0.2 1 762 100 100 VAL CA C 59.7 0.2 1 763 100 100 VAL CB C 35.6 0.2 1 764 100 100 VAL N N 115.7 0.1 1 765 101 101 ILE H H 8.69 0.02 1 766 101 101 ILE HA H 4.73 0.02 1 767 101 101 ILE HB H 1.75 0.02 1 768 101 101 ILE HG12 H 1.33 0.02 2 769 101 101 ILE HG13 H 1.33 0.02 2 770 101 101 ILE HG2 H 0.83 0.02 1 771 101 101 ILE HD1 H 0.78 0.02 1 772 101 101 ILE C C 171.8 0.2 1 773 101 101 ILE CA C 59.3 0.2 1 774 101 101 ILE CB C 42.1 0.2 1 775 101 101 ILE N N 125.2 0.1 1 776 102 102 GLU H H 8.12 0.02 1 777 102 102 GLU HA H 5.60 0.02 1 778 102 102 GLU HB2 H 1.88 0.02 2 779 102 102 GLU HB3 H 1.88 0.02 2 780 102 102 GLU HG2 H 2.11 0.02 2 781 102 102 GLU HG3 H 2.11 0.02 2 782 102 102 GLU C C 174.8 0.2 1 783 102 102 GLU CA C 53.7 0.2 1 784 102 102 GLU CB C 34.8 0.2 1 785 102 102 GLU N N 121.3 0.1 1 786 103 103 HIS H H 8.73 0.02 1 787 103 103 HIS HA H 4.8 0.02 1 788 103 103 HIS HB2 H 2.60 0.02 2 789 103 103 HIS HB3 H 3.00 0.02 2 790 103 103 HIS C C 172.8 0.2 1 791 103 103 HIS CA C 57.2 0.2 1 792 103 103 HIS CB C 35.3 0.2 1 793 103 103 HIS N N 119.7 0.1 1 794 104 104 LYS H H 7.56 0.02 1 795 104 104 LYS HA H 5.35 0.02 1 796 104 104 LYS HB2 H 1.47 0.02 2 797 104 104 LYS HB3 H 1.47 0.02 2 798 104 104 LYS HG2 H 1.11 0.02 2 799 104 104 LYS HG3 H 1.11 0.02 2 800 104 104 LYS HD2 H 1.60 0.02 2 801 104 104 LYS HD3 H 1.60 0.02 2 802 104 104 LYS HE2 H 3.00 0.02 2 803 104 104 LYS HE3 H 3.00 0.02 2 804 104 104 LYS C C 174.6 0.2 1 805 104 104 LYS CA C 54.9 0.2 1 806 104 104 LYS CB C 35.5 0.2 1 807 104 104 LYS N N 125.3 0.1 1 808 105 105 VAL H H 9.13 0.02 1 809 105 105 VAL HA H 4.75 0.02 1 810 105 105 VAL HB H 2.05 0.02 1 811 105 105 VAL HG1 H 0.92 0.02 2 812 105 105 VAL HG2 H 0.92 0.02 2 813 105 105 VAL C C 174.1 0.2 1 814 105 105 VAL CA C 58.8 0.2 1 815 105 105 VAL CB C 36.7 0.2 1 816 105 105 VAL N N 113.5 0.1 1 817 106 106 LYS H H 7.91 0.02 1 818 106 106 LYS HA H 4.67 0.02 1 819 106 106 LYS HB2 H 1.85 0.02 2 820 106 106 LYS HB3 H 1.85 0.02 2 821 106 106 LYS HG2 H 1.54 0.02 2 822 106 106 LYS HG3 H 1.54 0.02 2 823 106 106 LYS HE2 H 2.96 0.02 2 824 106 106 LYS HE3 H 2.96 0.02 2 825 106 106 LYS C C 174.4 0.2 1 826 106 106 LYS CA C 56.8 0.2 1 827 106 106 LYS CB C 34.3 0.2 1 828 106 106 LYS N N 121.2 0.1 1 829 107 107 LEU H H 8.53 0.02 1 830 107 107 LEU HA H 5.27 0.02 1 831 107 107 LEU HB2 H 1.83 0.02 2 832 107 107 LEU HB3 H 1.83 0.02 2 833 107 107 LEU HD1 H 0.90 0.02 2 834 107 107 LEU HD2 H 0.90 0.02 2 835 107 107 LEU C C 174.9 0.2 1 836 107 107 LEU CA C 53.4 0.2 1 837 107 107 LEU CB C 44.6 0.2 1 838 107 107 LEU N N 124.2 0.1 1 839 108 108 GLU H H 8.96 0.02 1 840 108 108 GLU HA H 4.68 0.02 1 841 108 108 GLU HB2 H 2.00 0.02 2 842 108 108 GLU HB3 H 2.00 0.02 2 843 108 108 GLU HG2 H 2.21 0.02 2 844 108 108 GLU HG3 H 2.21 0.02 2 845 108 108 GLU C C 173.3 0.2 1 846 108 108 GLU CA C 55.3 0.2 1 847 108 108 GLU CB C 33.0 0.2 1 848 108 108 GLU N N 127.3 0.1 1 849 109 109 ILE H H 7.92 0.02 1 850 109 109 ILE HA H 4.85 0.02 1 851 109 109 ILE HB H 1.70 0.02 1 852 109 109 ILE HG12 H 0.87 0.02 2 853 109 109 ILE HG13 H 0.87 0.02 2 854 109 109 ILE HG2 H 0.37 0.02 1 855 109 109 ILE HD1 H 0.59 0.02 1 856 109 109 ILE C C 176.0 0.2 1 857 109 109 ILE CA C 58.2 0.2 1 858 109 109 ILE CB C 37.3 0.2 1 859 109 109 ILE N N 125.2 0.1 1 860 110 110 GLN H H 9.03 0.02 1 861 110 110 GLN HA H 4.42 0.02 1 862 110 110 GLN HB2 H 1.90 0.02 2 863 110 110 GLN HB3 H 1.90 0.02 2 864 110 110 GLN HG2 H 2.22 0.02 2 865 110 110 GLN HG3 H 2.22 0.02 2 866 110 110 GLN C C 174.7 0.2 1 867 110 110 GLN CA C 54.8 0.2 1 868 110 110 GLN CB C 30.5 0.2 1 869 110 110 GLN N N 128.6 0.1 1 870 111 111 GLN H H 8.63 0.02 1 871 111 111 GLN HA H 4.36 0.02 2 872 111 111 GLN HB2 H 2.00 0.02 2 873 111 111 GLN HB3 H 2.00 0.02 2 874 111 111 GLN HG2 H 2.36 0.02 2 875 111 111 GLN HG3 H 2.36 0.02 2 876 111 111 GLN C C 176.1 0.2 1 877 111 111 GLN CA C 55.8 0.2 1 878 111 111 GLN CB C 30.3 0.2 1 879 111 111 GLN N N 123.6 0.1 1 880 112 112 LEU H H 8.81 0.02 1 881 112 112 LEU HA H 4.20 0.02 1 882 112 112 LEU HB2 H 1.54 0.02 2 883 112 112 LEU HB3 H 1.54 0.02 2 884 112 112 LEU HD1 H 0.87 0.02 2 885 112 112 LEU HD2 H 0.87 0.02 2 886 112 112 LEU C C 177.2 0.2 1 887 112 112 LEU CA C 55.7 0.2 1 888 112 112 LEU CB C 42.5 0.2 1 889 112 112 LEU N N 124.3 0.1 1 890 113 113 GLU H H 8.81 0.02 1 891 113 113 GLU C C 177.2 0.2 1 892 113 113 GLU CA C 55.7 0.2 1 893 113 113 GLU CB C 42.5 0.2 1 894 113 113 GLU N N 124.3 0.1 1 895 118 118 HIS HA H 4.53 0.02 1 896 118 118 HIS HB2 H 3.00 0.02 2 897 118 118 HIS HB3 H 3.00 0.02 2 898 118 118 HIS C C 174.2 0.2 1 899 118 118 HIS CA C 56.8 0.2 1 900 118 118 HIS CB C 32.6 0.2 1 901 119 119 HIS H H 7.83 0.02 1 902 119 119 HIS HA H 4.32 0.02 1 903 119 119 HIS HB2 H 3.00 0.02 2 904 119 119 HIS HB3 H 3.00 0.02 2 905 119 119 HIS C C 179.7 0.2 1 906 119 119 HIS CA C 57.6 0.2 1 907 119 119 HIS CB C 30.9 0.2 1 908 119 119 HIS N N 126.1 0.1 1 stop_ save_