data_11192 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Ig-like domain(433- 525) of murine myosin-binding protein C, fast-type ; _BMRB_accession_number 11192 _BMRB_flat_file_name bmr11192.str _Entry_type original _Submission_date 2010-07-21 _Accession_date 2010-07-23 _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 Inoue K. . . 2 Izumi K. . . 3 Yoshida M. . . 4 Hayashi F. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 597 "13C chemical shifts" 460 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the Ig-like domain(433 - 525) of murine myosin-binding protein C, fast-type ; _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 Inoue K. . . 2 Izumi K. . . 3 Yoshida M. . . 4 Hayashi F. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _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 'Myosin binding protein C, fast-type' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ig-like domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ig-like domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; GSSGSSGQLEVLQDIADLTV KAAEQAVFKCEVSDEKVTGK WYKNGVEVRPSKRITISHVG RFHKLVIDDVRPEDEGDYTF VPDGYALSLSAKLNFLEIKV SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 LEU 10 GLU 11 VAL 12 LEU 13 GLN 14 ASP 15 ILE 16 ALA 17 ASP 18 LEU 19 THR 20 VAL 21 LYS 22 ALA 23 ALA 24 GLU 25 GLN 26 ALA 27 VAL 28 PHE 29 LYS 30 CYS 31 GLU 32 VAL 33 SER 34 ASP 35 GLU 36 LYS 37 VAL 38 THR 39 GLY 40 LYS 41 TRP 42 TYR 43 LYS 44 ASN 45 GLY 46 VAL 47 GLU 48 VAL 49 ARG 50 PRO 51 SER 52 LYS 53 ARG 54 ILE 55 THR 56 ILE 57 SER 58 HIS 59 VAL 60 GLY 61 ARG 62 PHE 63 HIS 64 LYS 65 LEU 66 VAL 67 ILE 68 ASP 69 ASP 70 VAL 71 ARG 72 PRO 73 GLU 74 ASP 75 GLU 76 GLY 77 ASP 78 TYR 79 THR 80 PHE 81 VAL 82 PRO 83 ASP 84 GLY 85 TYR 86 ALA 87 LEU 88 SER 89 LEU 90 SER 91 ALA 92 LYS 93 LEU 94 ASN 95 PHE 96 LEU 97 GLU 98 ILE 99 LYS 100 VAL 101 SER 102 GLY 103 PRO 104 SER 105 SER 106 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2DLT "Solution Structure Of The Ig-Like Domain(433- 525) Of Murine Myosin-Binding Protein C, Fast-Type" 100.00 106 100.00 100.00 1.45e-69 REF XP_011766651 "PREDICTED: LOW QUALITY PROTEIN: myosin-binding protein C, fast-type [Macaca nemestrina]" 50.94 1220 98.15 100.00 2.00e-25 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'house mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P050815-18 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.16mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.16 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_Delta_NMR _Saveframe_category software _Name 'Delta NMR' _Version 4.3.2 loop_ _Vendor _Address _Electronic_address JEOL . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.93191 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer JEOL _Model ECA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Delta_NMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Ig-like 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 5 5 SER HA H 4.594 0.030 1 2 5 5 SER HB2 H 3.876 0.030 1 3 5 5 SER HB3 H 3.876 0.030 1 4 5 5 SER C C 174.551 0.300 1 5 5 5 SER CA C 58.092 0.300 1 6 5 5 SER CB C 63.809 0.300 1 7 6 6 SER H H 8.470 0.030 1 8 6 6 SER HA H 4.508 0.030 1 9 6 6 SER HB2 H 3.903 0.030 1 10 6 6 SER HB3 H 3.903 0.030 1 11 6 6 SER C C 174.832 0.300 1 12 6 6 SER CA C 58.419 0.300 1 13 6 6 SER CB C 63.662 0.300 1 14 6 6 SER N N 117.740 0.300 1 15 7 7 GLY H H 8.457 0.030 1 16 7 7 GLY HA2 H 4.029 0.030 1 17 7 7 GLY HA3 H 4.029 0.030 1 18 7 7 GLY C C 173.726 0.300 1 19 7 7 GLY CA C 45.244 0.300 1 20 7 7 GLY N N 110.689 0.300 1 21 8 8 GLN H H 8.247 0.030 1 22 8 8 GLN HA H 4.501 0.030 1 23 8 8 GLN HB2 H 1.976 0.030 2 24 8 8 GLN HB3 H 2.099 0.030 2 25 8 8 GLN HE21 H 7.588 0.030 2 26 8 8 GLN HE22 H 6.859 0.030 2 27 8 8 GLN HG2 H 2.346 0.030 1 28 8 8 GLN HG3 H 2.346 0.030 1 29 8 8 GLN C C 174.709 0.300 1 30 8 8 GLN CA C 55.157 0.300 1 31 8 8 GLN CB C 29.863 0.300 1 32 8 8 GLN CG C 33.501 0.300 1 33 8 8 GLN N N 119.828 0.300 1 34 8 8 GLN NE2 N 112.414 0.300 1 35 9 9 LEU H H 8.003 0.030 1 36 9 9 LEU HA H 4.016 0.030 1 37 9 9 LEU HB2 H 1.263 0.030 2 38 9 9 LEU HB3 H 0.641 0.030 2 39 9 9 LEU HD1 H 0.722 0.030 1 40 9 9 LEU HD2 H 0.295 0.030 1 41 9 9 LEU HG H 1.140 0.030 1 42 9 9 LEU C C 174.551 0.300 1 43 9 9 LEU CA C 54.589 0.300 1 44 9 9 LEU CB C 42.763 0.300 1 45 9 9 LEU CD1 C 24.467 0.300 2 46 9 9 LEU CD2 C 25.502 0.300 2 47 9 9 LEU CG C 26.365 0.300 1 48 9 9 LEU N N 124.809 0.300 1 49 10 10 GLU H H 8.458 0.030 1 50 10 10 GLU HA H 4.527 0.030 1 51 10 10 GLU HB2 H 1.888 0.030 2 52 10 10 GLU HB3 H 1.732 0.030 2 53 10 10 GLU HG2 H 2.049 0.030 2 54 10 10 GLU HG3 H 2.173 0.030 2 55 10 10 GLU C C 174.990 0.300 1 56 10 10 GLU CA C 54.433 0.300 1 57 10 10 GLU CB C 31.871 0.300 1 58 10 10 GLU CG C 35.873 0.300 1 59 10 10 GLU N N 125.366 0.300 1 60 11 11 VAL H H 8.813 0.030 1 61 11 11 VAL HA H 3.956 0.030 1 62 11 11 VAL HB H 2.065 0.030 1 63 11 11 VAL HG1 H 0.878 0.030 1 64 11 11 VAL HG2 H 0.814 0.030 1 65 11 11 VAL C C 175.236 0.300 1 66 11 11 VAL CA C 62.673 0.300 1 67 11 11 VAL CB C 31.450 0.300 1 68 11 11 VAL CG1 C 21.439 0.300 2 69 11 11 VAL CG2 C 20.845 0.300 2 70 11 11 VAL N N 124.612 0.300 1 71 12 12 LEU H H 8.437 0.030 1 72 12 12 LEU HA H 4.294 0.030 1 73 12 12 LEU HB2 H 1.126 0.030 2 74 12 12 LEU HB3 H 1.449 0.030 2 75 12 12 LEU HD1 H 0.642 0.030 1 76 12 12 LEU HD2 H 0.691 0.030 1 77 12 12 LEU HG H 1.298 0.030 1 78 12 12 LEU C C 177.535 0.300 1 79 12 12 LEU CA C 55.857 0.300 1 80 12 12 LEU CB C 41.367 0.300 1 81 12 12 LEU CD1 C 25.007 0.300 2 82 12 12 LEU CD2 C 22.347 0.300 2 83 12 12 LEU CG C 27.483 0.300 1 84 12 12 LEU N N 129.943 0.300 1 85 13 13 GLN H H 7.921 0.030 1 86 13 13 GLN HA H 4.555 0.030 1 87 13 13 GLN HB2 H 2.052 0.030 2 88 13 13 GLN HB3 H 2.118 0.030 2 89 13 13 GLN HE21 H 6.932 0.030 2 90 13 13 GLN HE22 H 8.136 0.030 2 91 13 13 GLN HG2 H 2.557 0.030 2 92 13 13 GLN HG3 H 2.422 0.030 2 93 13 13 GLN C C 173.533 0.300 1 94 13 13 GLN CA C 56.285 0.300 1 95 13 13 GLN CB C 32.096 0.300 1 96 13 13 GLN CG C 33.920 0.300 1 97 13 13 GLN N N 117.581 0.300 1 98 13 13 GLN NE2 N 113.234 0.300 1 99 14 14 ASP H H 8.714 0.030 1 100 14 14 ASP HA H 4.632 0.030 1 101 14 14 ASP HB2 H 2.593 0.030 2 102 14 14 ASP HB3 H 2.833 0.030 2 103 14 14 ASP C C 176.605 0.300 1 104 14 14 ASP CA C 52.281 0.300 1 105 14 14 ASP CB C 41.709 0.300 1 106 14 14 ASP N N 126.268 0.300 1 107 15 15 ILE H H 9.103 0.030 1 108 15 15 ILE HA H 4.704 0.030 1 109 15 15 ILE HB H 1.885 0.030 1 110 15 15 ILE HD1 H 0.731 0.030 1 111 15 15 ILE HG12 H 1.082 0.030 2 112 15 15 ILE HG13 H 1.542 0.030 2 113 15 15 ILE HG2 H 1.098 0.030 1 114 15 15 ILE C C 174.463 0.300 1 115 15 15 ILE CA C 61.466 0.300 1 116 15 15 ILE CB C 39.781 0.300 1 117 15 15 ILE CD1 C 14.130 0.300 1 118 15 15 ILE CG1 C 26.421 0.300 1 119 15 15 ILE CG2 C 19.677 0.300 1 120 15 15 ILE N N 117.012 0.300 1 121 16 16 ALA H H 8.182 0.030 1 122 16 16 ALA HA H 4.908 0.030 1 123 16 16 ALA HB H 1.509 0.030 1 124 16 16 ALA C C 176.201 0.300 1 125 16 16 ALA CA C 50.704 0.300 1 126 16 16 ALA CB C 22.251 0.300 1 127 16 16 ALA N N 125.551 0.300 1 128 17 17 ASP H H 8.304 0.030 1 129 17 17 ASP HA H 5.108 0.030 1 130 17 17 ASP HB2 H 2.797 0.030 2 131 17 17 ASP HB3 H 2.629 0.030 2 132 17 17 ASP C C 175.920 0.300 1 133 17 17 ASP CA C 55.009 0.300 1 134 17 17 ASP CB C 41.554 0.300 1 135 17 17 ASP N N 119.694 0.300 1 136 18 18 LEU H H 9.016 0.030 1 137 18 18 LEU HA H 4.844 0.030 1 138 18 18 LEU HB2 H 1.516 0.030 2 139 18 18 LEU HB3 H 1.376 0.030 2 140 18 18 LEU HD1 H 0.702 0.030 1 141 18 18 LEU HD2 H 0.255 0.030 1 142 18 18 LEU HG H 1.508 0.030 1 143 18 18 LEU C C 175.955 0.300 1 144 18 18 LEU CA C 53.682 0.300 1 145 18 18 LEU CB C 47.319 0.300 1 146 18 18 LEU CD1 C 23.976 0.300 2 147 18 18 LEU CD2 C 25.104 0.300 2 148 18 18 LEU CG C 26.195 0.300 1 149 18 18 LEU N N 120.859 0.300 1 150 19 19 THR H H 8.574 0.030 1 151 19 19 THR HA H 5.260 0.030 1 152 19 19 THR HB H 3.961 0.030 1 153 19 19 THR HG2 H 1.069 0.030 1 154 19 19 THR C C 173.919 0.300 1 155 19 19 THR CA C 61.740 0.300 1 156 19 19 THR CB C 69.915 0.300 1 157 19 19 THR CG2 C 21.719 0.300 1 158 19 19 THR N N 120.425 0.300 1 159 20 20 VAL H H 8.582 0.030 1 160 20 20 VAL HA H 4.546 0.030 1 161 20 20 VAL HB H 2.051 0.030 1 162 20 20 VAL HG1 H 0.892 0.030 1 163 20 20 VAL HG2 H 0.755 0.030 1 164 20 20 VAL C C 172.673 0.300 1 165 20 20 VAL CA C 59.271 0.300 1 166 20 20 VAL CB C 35.571 0.300 1 167 20 20 VAL CG1 C 22.230 0.300 2 168 20 20 VAL CG2 C 20.842 0.300 2 169 20 20 VAL N N 122.582 0.300 1 170 21 21 LYS H H 8.125 0.030 1 171 21 21 LYS HA H 4.309 0.030 1 172 21 21 LYS HB2 H 1.470 0.030 2 173 21 21 LYS HB3 H 1.718 0.030 2 174 21 21 LYS HD2 H 1.595 0.030 1 175 21 21 LYS HD3 H 1.595 0.030 1 176 21 21 LYS HE2 H 2.903 0.030 1 177 21 21 LYS HE3 H 2.903 0.030 1 178 21 21 LYS HG2 H 1.328 0.030 1 179 21 21 LYS HG3 H 1.328 0.030 1 180 21 21 LYS C C 174.797 0.300 1 181 21 21 LYS CA C 53.822 0.300 1 182 21 21 LYS CB C 34.584 0.300 1 183 21 21 LYS CD C 29.249 0.300 1 184 21 21 LYS CE C 41.650 0.300 1 185 21 21 LYS CG C 24.682 0.300 1 186 21 21 LYS N N 121.304 0.300 1 187 22 22 ALA H H 7.837 0.030 1 188 22 22 ALA HA H 4.063 0.030 1 189 22 22 ALA HB H 1.529 0.030 1 190 22 22 ALA C C 177.886 0.300 1 191 22 22 ALA CA C 53.457 0.300 1 192 22 22 ALA CB C 18.647 0.300 1 193 22 22 ALA N N 119.151 0.300 1 194 23 23 ALA H H 9.266 0.030 1 195 23 23 ALA HA H 4.269 0.030 1 196 23 23 ALA HB H 1.637 0.030 1 197 23 23 ALA C C 177.254 0.300 1 198 23 23 ALA CA C 54.047 0.300 1 199 23 23 ALA CB C 17.479 0.300 1 200 23 23 ALA N N 118.312 0.300 1 201 24 24 GLU H H 7.693 0.030 1 202 24 24 GLU HA H 4.401 0.030 1 203 24 24 GLU HB2 H 2.180 0.030 2 204 24 24 GLU HB3 H 2.108 0.030 2 205 24 24 GLU HG2 H 2.158 0.030 2 206 24 24 GLU HG3 H 2.274 0.030 2 207 24 24 GLU C C 172.708 0.300 1 208 24 24 GLU CA C 56.303 0.300 1 209 24 24 GLU CB C 30.361 0.300 1 210 24 24 GLU CG C 37.951 0.300 1 211 24 24 GLU N N 119.886 0.300 1 212 25 25 GLN H H 7.915 0.030 1 213 25 25 GLN HA H 5.134 0.030 1 214 25 25 GLN HB2 H 1.901 0.030 2 215 25 25 GLN HB3 H 1.977 0.030 2 216 25 25 GLN HE21 H 6.571 0.030 2 217 25 25 GLN HE22 H 8.346 0.030 2 218 25 25 GLN HG2 H 2.266 0.030 2 219 25 25 GLN HG3 H 1.691 0.030 2 220 25 25 GLN C C 175.042 0.300 1 221 25 25 GLN CA C 54.466 0.300 1 222 25 25 GLN CB C 32.471 0.300 1 223 25 25 GLN CG C 35.534 0.300 1 224 25 25 GLN N N 117.043 0.300 1 225 25 25 GLN NE2 N 114.537 0.300 1 226 26 26 ALA H H 9.119 0.030 1 227 26 26 ALA HA H 4.430 0.030 1 228 26 26 ALA HB H 1.010 0.030 1 229 26 26 ALA C C 174.288 0.300 1 230 26 26 ALA CA C 50.085 0.300 1 231 26 26 ALA CB C 22.160 0.300 1 232 26 26 ALA N N 129.168 0.300 1 233 27 27 VAL H H 7.267 0.030 1 234 27 27 VAL HA H 4.579 0.030 1 235 27 27 VAL HB H 1.793 0.030 1 236 27 27 VAL HG1 H 0.681 0.030 1 237 27 27 VAL HG2 H 0.766 0.030 1 238 27 27 VAL C C 174.463 0.300 1 239 27 27 VAL CA C 60.901 0.300 1 240 27 27 VAL CB C 33.979 0.300 1 241 27 27 VAL CG1 C 20.820 0.300 2 242 27 27 VAL CG2 C 21.337 0.300 2 243 27 27 VAL N N 120.668 0.300 1 244 28 28 PHE H H 9.023 0.030 1 245 28 28 PHE HA H 4.897 0.030 1 246 28 28 PHE HB2 H 2.716 0.030 2 247 28 28 PHE HB3 H 3.013 0.030 2 248 28 28 PHE HD1 H 6.882 0.030 1 249 28 28 PHE HD2 H 6.882 0.030 1 250 28 28 PHE HE1 H 6.678 0.030 1 251 28 28 PHE HE2 H 6.678 0.030 1 252 28 28 PHE HZ H 6.750 0.030 1 253 28 28 PHE C C 173.849 0.300 1 254 28 28 PHE CA C 56.583 0.300 1 255 28 28 PHE CB C 41.705 0.300 1 256 28 28 PHE CD1 C 130.849 0.300 1 257 28 28 PHE CD2 C 130.849 0.300 1 258 28 28 PHE CE1 C 130.830 0.300 1 259 28 28 PHE CE2 C 130.830 0.300 1 260 28 28 PHE CZ C 128.747 0.300 1 261 28 28 PHE N N 126.553 0.300 1 262 29 29 LYS H H 8.912 0.030 1 263 29 29 LYS HA H 5.590 0.030 1 264 29 29 LYS HB2 H 1.573 0.030 2 265 29 29 LYS HB3 H 1.767 0.030 2 266 29 29 LYS HD2 H 1.481 0.030 1 267 29 29 LYS HD3 H 1.481 0.030 1 268 29 29 LYS HE2 H 2.728 0.030 2 269 29 29 LYS HE3 H 2.805 0.030 2 270 29 29 LYS HG2 H 1.287 0.030 2 271 29 29 LYS HG3 H 1.371 0.030 2 272 29 29 LYS C C 173.287 0.300 1 273 29 29 LYS CA C 54.635 0.300 1 274 29 29 LYS CB C 36.280 0.300 1 275 29 29 LYS CD C 29.665 0.300 1 276 29 29 LYS CE C 41.648 0.300 1 277 29 29 LYS CG C 24.294 0.300 1 278 29 29 LYS N N 121.918 0.300 1 279 30 30 CYS H H 9.149 0.030 1 280 30 30 CYS HA H 4.974 0.030 1 281 30 30 CYS HB2 H 2.910 0.030 2 282 30 30 CYS HB3 H 2.875 0.030 2 283 30 30 CYS C C 171.514 0.300 1 284 30 30 CYS CA C 54.746 0.300 1 285 30 30 CYS CB C 31.747 0.300 1 286 30 30 CYS N N 117.893 0.300 1 287 31 31 GLU H H 8.732 0.030 1 288 31 31 GLU HA H 5.047 0.030 1 289 31 31 GLU HB2 H 1.438 0.030 2 290 31 31 GLU HB3 H 1.886 0.030 2 291 31 31 GLU HG2 H 1.660 0.030 2 292 31 31 GLU HG3 H 1.138 0.030 2 293 31 31 GLU C C 176.201 0.300 1 294 31 31 GLU CA C 54.170 0.300 1 295 31 31 GLU CB C 33.974 0.300 1 296 31 31 GLU CG C 36.392 0.300 1 297 31 31 GLU N N 122.211 0.300 1 298 32 32 VAL H H 8.836 0.030 1 299 32 32 VAL HA H 5.211 0.030 1 300 32 32 VAL HB H 2.208 0.030 1 301 32 32 VAL HG1 H 0.820 0.030 1 302 32 32 VAL HG2 H 0.948 0.030 1 303 32 32 VAL C C 175.446 0.300 1 304 32 32 VAL CA C 58.915 0.300 1 305 32 32 VAL CB C 34.146 0.300 1 306 32 32 VAL CG1 C 20.963 0.300 2 307 32 32 VAL CG2 C 18.566 0.300 2 308 32 32 VAL N N 120.015 0.300 1 309 33 33 SER H H 8.205 0.030 1 310 33 33 SER HA H 3.970 0.030 1 311 33 33 SER HB2 H 4.209 0.030 2 312 33 33 SER HB3 H 3.738 0.030 2 313 33 33 SER C C 173.305 0.300 1 314 33 33 SER CA C 60.835 0.300 1 315 33 33 SER CB C 62.913 0.300 1 316 33 33 SER N N 110.253 0.300 1 317 34 34 ASP H H 6.526 0.030 1 318 34 34 ASP HA H 4.924 0.030 1 319 34 34 ASP HB2 H 2.528 0.030 2 320 34 34 ASP HB3 H 2.720 0.030 2 321 34 34 ASP C C 176.201 0.300 1 322 34 34 ASP CA C 52.615 0.300 1 323 34 34 ASP CB C 43.334 0.300 1 324 34 34 ASP N N 119.041 0.300 1 325 35 35 GLU H H 9.438 0.030 1 326 35 35 GLU HA H 4.090 0.030 1 327 35 35 GLU HB2 H 2.011 0.030 1 328 35 35 GLU HB3 H 2.011 0.030 1 329 35 35 GLU HG2 H 2.262 0.030 1 330 35 35 GLU HG3 H 2.262 0.030 1 331 35 35 GLU C C 176.043 0.300 1 332 35 35 GLU CA C 58.143 0.300 1 333 35 35 GLU CB C 29.199 0.300 1 334 35 35 GLU CG C 35.696 0.300 1 335 35 35 GLU N N 125.730 0.300 1 336 36 36 LYS H H 8.791 0.030 1 337 36 36 LYS HA H 4.358 0.030 1 338 36 36 LYS HB2 H 1.965 0.030 1 339 36 36 LYS HB3 H 1.965 0.030 1 340 36 36 LYS HD2 H 1.764 0.030 1 341 36 36 LYS HD3 H 1.764 0.030 1 342 36 36 LYS HE2 H 3.081 0.030 1 343 36 36 LYS HE3 H 3.081 0.030 1 344 36 36 LYS HG2 H 1.521 0.030 1 345 36 36 LYS HG3 H 1.521 0.030 1 346 36 36 LYS C C 177.272 0.300 1 347 36 36 LYS CA C 56.437 0.300 1 348 36 36 LYS CB C 31.733 0.300 1 349 36 36 LYS CD C 28.450 0.300 1 350 36 36 LYS CE C 41.460 0.300 1 351 36 36 LYS CG C 24.890 0.300 1 352 36 36 LYS N N 118.783 0.300 1 353 37 37 VAL H H 7.041 0.030 1 354 37 37 VAL HA H 4.135 0.030 1 355 37 37 VAL HB H 2.102 0.030 1 356 37 37 VAL HG1 H 1.165 0.030 1 357 37 37 VAL HG2 H 0.969 0.030 1 358 37 37 VAL C C 174.674 0.300 1 359 37 37 VAL CA C 63.238 0.300 1 360 37 37 VAL CB C 32.426 0.300 1 361 37 37 VAL CG1 C 23.667 0.300 2 362 37 37 VAL CG2 C 21.222 0.300 2 363 37 37 VAL N N 120.472 0.300 1 364 38 38 THR H H 8.090 0.030 1 365 38 38 THR HA H 4.635 0.030 1 366 38 38 THR HB H 4.561 0.030 1 367 38 38 THR HG2 H 1.389 0.030 1 368 38 38 THR C C 174.042 0.300 1 369 38 38 THR CA C 59.436 0.300 1 370 38 38 THR CB C 71.014 0.300 1 371 38 38 THR CG2 C 21.480 0.300 1 372 38 38 THR N N 116.758 0.300 1 373 39 39 GLY H H 8.476 0.030 1 374 39 39 GLY HA2 H 4.088 0.030 2 375 39 39 GLY HA3 H 3.461 0.030 2 376 39 39 GLY C C 171.181 0.300 1 377 39 39 GLY CA C 46.654 0.300 1 378 39 39 GLY N N 105.345 0.300 1 379 40 40 LYS H H 7.143 0.030 1 380 40 40 LYS HA H 4.700 0.030 1 381 40 40 LYS HB2 H 1.558 0.030 2 382 40 40 LYS HB3 H 1.343 0.030 2 383 40 40 LYS HD2 H 1.597 0.030 1 384 40 40 LYS HD3 H 1.597 0.030 1 385 40 40 LYS HE2 H 3.042 0.030 1 386 40 40 LYS HE3 H 3.042 0.030 1 387 40 40 LYS HG2 H 1.471 0.030 2 388 40 40 LYS HG3 H 1.359 0.030 2 389 40 40 LYS C C 172.936 0.300 1 390 40 40 LYS CA C 54.746 0.300 1 391 40 40 LYS CB C 38.155 0.300 1 392 40 40 LYS CD C 29.122 0.300 1 393 40 40 LYS CE C 42.294 0.300 1 394 40 40 LYS CG C 25.725 0.300 1 395 40 40 LYS N N 118.778 0.300 1 396 41 41 TRP H H 8.736 0.030 1 397 41 41 TRP HA H 5.683 0.030 1 398 41 41 TRP HB2 H 2.940 0.030 2 399 41 41 TRP HB3 H 3.108 0.030 2 400 41 41 TRP HD1 H 7.360 0.030 1 401 41 41 TRP HE1 H 10.316 0.030 1 402 41 41 TRP HE3 H 7.390 0.030 1 403 41 41 TRP HH2 H 6.624 0.030 1 404 41 41 TRP HZ2 H 6.701 0.030 1 405 41 41 TRP HZ3 H 6.570 0.030 1 406 41 41 TRP C C 175.709 0.300 1 407 41 41 TRP CA C 55.294 0.300 1 408 41 41 TRP CB C 31.421 0.300 1 409 41 41 TRP CD1 C 126.859 0.300 1 410 41 41 TRP CE3 C 120.549 0.300 1 411 41 41 TRP CH2 C 123.419 0.300 1 412 41 41 TRP CZ2 C 113.881 0.300 1 413 41 41 TRP CZ3 C 120.569 0.300 1 414 41 41 TRP N N 120.583 0.300 1 415 41 41 TRP NE1 N 129.891 0.300 1 416 42 42 TYR H H 9.673 0.030 1 417 42 42 TYR HA H 4.946 0.030 1 418 42 42 TYR HB2 H 2.923 0.030 2 419 42 42 TYR HB3 H 2.239 0.030 2 420 42 42 TYR HD1 H 6.675 0.030 1 421 42 42 TYR HD2 H 6.675 0.030 1 422 42 42 TYR HE1 H 6.550 0.030 1 423 42 42 TYR HE2 H 6.550 0.030 1 424 42 42 TYR C C 173.972 0.300 1 425 42 42 TYR CA C 56.820 0.300 1 426 42 42 TYR CB C 42.111 0.300 1 427 42 42 TYR CD1 C 132.619 0.300 1 428 42 42 TYR CD2 C 132.619 0.300 1 429 42 42 TYR CE1 C 117.406 0.300 1 430 42 42 TYR CE2 C 117.406 0.300 1 431 42 42 TYR N N 118.507 0.300 1 432 43 43 LYS H H 9.038 0.030 1 433 43 43 LYS HA H 4.451 0.030 1 434 43 43 LYS HB2 H 1.156 0.030 2 435 43 43 LYS HB3 H 1.612 0.030 2 436 43 43 LYS HD2 H 1.609 0.030 2 437 43 43 LYS HD3 H 1.484 0.030 2 438 43 43 LYS HE2 H 2.826 0.030 2 439 43 43 LYS HE3 H 2.872 0.030 2 440 43 43 LYS HG2 H 0.606 0.030 2 441 43 43 LYS HG3 H 0.349 0.030 2 442 43 43 LYS C C 176.640 0.300 1 443 43 43 LYS CA C 54.076 0.300 1 444 43 43 LYS CB C 34.382 0.300 1 445 43 43 LYS CD C 29.746 0.300 1 446 43 43 LYS CE C 42.478 0.300 1 447 43 43 LYS CG C 24.689 0.300 1 448 43 43 LYS N N 120.841 0.300 1 449 44 44 ASN H H 9.779 0.030 1 450 44 44 ASN HA H 4.423 0.030 1 451 44 44 ASN HB2 H 2.887 0.030 2 452 44 44 ASN HB3 H 3.078 0.030 2 453 44 44 ASN HD21 H 7.149 0.030 2 454 44 44 ASN HD22 H 7.727 0.030 2 455 44 44 ASN C C 175.253 0.300 1 456 44 44 ASN CA C 54.078 0.300 1 457 44 44 ASN CB C 37.043 0.300 1 458 44 44 ASN N N 128.420 0.300 1 459 44 44 ASN ND2 N 112.835 0.300 1 460 45 45 GLY H H 8.399 0.030 1 461 45 45 GLY HA2 H 3.418 0.030 2 462 45 45 GLY HA3 H 4.149 0.030 2 463 45 45 GLY C C 173.427 0.300 1 464 45 45 GLY CA C 45.332 0.300 1 465 45 45 GLY N N 100.792 0.300 1 466 46 46 VAL H H 8.023 0.030 1 467 46 46 VAL HA H 4.395 0.030 1 468 46 46 VAL HB H 2.151 0.030 1 469 46 46 VAL HG1 H 1.094 0.030 1 470 46 46 VAL HG2 H 0.986 0.030 1 471 46 46 VAL C C 175.727 0.300 1 472 46 46 VAL CA C 61.548 0.300 1 473 46 46 VAL CB C 33.379 0.300 1 474 46 46 VAL CG1 C 21.102 0.300 2 475 46 46 VAL CG2 C 21.012 0.300 2 476 46 46 VAL N N 122.986 0.300 1 477 47 47 GLU H H 9.181 0.030 1 478 47 47 GLU HA H 3.783 0.030 1 479 47 47 GLU HB2 H 1.853 0.030 2 480 47 47 GLU HB3 H 1.750 0.030 2 481 47 47 GLU HG2 H 1.978 0.030 2 482 47 47 GLU HG3 H 2.051 0.030 2 483 47 47 GLU C C 176.148 0.300 1 484 47 47 GLU CA C 57.713 0.300 1 485 47 47 GLU CB C 29.513 0.300 1 486 47 47 GLU CG C 35.639 0.300 1 487 47 47 GLU N N 131.301 0.300 1 488 48 48 VAL H H 8.881 0.030 1 489 48 48 VAL HA H 3.898 0.030 1 490 48 48 VAL HB H 1.845 0.030 1 491 48 48 VAL HG1 H 0.915 0.030 1 492 48 48 VAL HG2 H 1.002 0.030 1 493 48 48 VAL C C 174.533 0.300 1 494 48 48 VAL CA C 62.505 0.300 1 495 48 48 VAL CB C 32.362 0.300 1 496 48 48 VAL CG1 C 22.240 0.300 2 497 48 48 VAL CG2 C 22.244 0.300 2 498 48 48 VAL N N 128.669 0.300 1 499 49 49 ARG H H 8.202 0.030 1 500 49 49 ARG HA H 4.896 0.030 1 501 49 49 ARG HB2 H 1.695 0.030 2 502 49 49 ARG HB3 H 1.921 0.030 2 503 49 49 ARG HD2 H 3.222 0.030 1 504 49 49 ARG HD3 H 3.222 0.030 1 505 49 49 ARG HG2 H 1.659 0.030 2 506 49 49 ARG HG3 H 1.737 0.030 2 507 49 49 ARG C C 173.375 0.300 1 508 49 49 ARG CA C 51.763 0.300 1 509 49 49 ARG CB C 30.049 0.300 1 510 49 49 ARG CD C 42.675 0.300 1 511 49 49 ARG CG C 26.598 0.300 1 512 49 49 ARG N N 126.846 0.300 1 513 50 50 PRO HA H 4.366 0.030 1 514 50 50 PRO HB2 H 2.086 0.030 2 515 50 50 PRO HB3 H 2.515 0.030 2 516 50 50 PRO HD2 H 3.710 0.030 2 517 50 50 PRO HD3 H 3.874 0.030 2 518 50 50 PRO HG2 H 2.214 0.030 2 519 50 50 PRO HG3 H 2.029 0.030 2 520 50 50 PRO C C 175.850 0.300 1 521 50 50 PRO CA C 62.888 0.300 1 522 50 50 PRO CB C 32.595 0.300 1 523 50 50 PRO CD C 50.447 0.300 1 524 50 50 PRO CG C 27.749 0.300 1 525 51 51 SER H H 9.422 0.030 1 526 51 51 SER HA H 4.828 0.030 1 527 51 51 SER HB2 H 3.983 0.030 2 528 51 51 SER HB3 H 4.306 0.030 2 529 51 51 SER C C 173.954 0.300 1 530 51 51 SER CA C 56.787 0.300 1 531 51 51 SER CB C 65.786 0.300 1 532 51 51 SER N N 117.821 0.300 1 533 52 52 LYS HA H 4.151 0.030 1 534 52 52 LYS HB2 H 1.863 0.030 2 535 52 52 LYS HB3 H 1.911 0.030 2 536 52 52 LYS HD2 H 1.717 0.030 1 537 52 52 LYS HD3 H 1.717 0.030 1 538 52 52 LYS HE2 H 3.010 0.030 1 539 52 52 LYS HE3 H 3.010 0.030 1 540 52 52 LYS HG2 H 1.499 0.030 1 541 52 52 LYS HG3 H 1.499 0.030 1 542 52 52 LYS C C 176.938 0.300 1 543 52 52 LYS CA C 58.894 0.300 1 544 52 52 LYS CB C 31.949 0.300 1 545 52 52 LYS CD C 28.824 0.300 1 546 52 52 LYS CE C 41.973 0.300 1 547 52 52 LYS CG C 24.822 0.300 1 548 53 53 ARG H H 7.930 0.030 1 549 53 53 ARG HA H 4.509 0.030 1 550 53 53 ARG HB2 H 1.810 0.030 2 551 53 53 ARG HB3 H 1.919 0.030 2 552 53 53 ARG HD2 H 3.159 0.030 2 553 53 53 ARG HD3 H 3.385 0.030 2 554 53 53 ARG HE H 6.875 0.030 1 555 53 53 ARG HG2 H 1.536 0.030 2 556 53 53 ARG HG3 H 1.630 0.030 2 557 53 53 ARG C C 174.551 0.300 1 558 53 53 ARG CA C 56.364 0.300 1 559 53 53 ARG CB C 32.324 0.300 1 560 53 53 ARG CD C 42.975 0.300 1 561 53 53 ARG CG C 29.265 0.300 1 562 53 53 ARG N N 114.609 0.300 1 563 53 53 ARG NE N 81.278 0.300 1 564 54 54 ILE H H 7.208 0.030 1 565 54 54 ILE HA H 5.037 0.030 1 566 54 54 ILE HB H 1.891 0.030 1 567 54 54 ILE HD1 H 0.878 0.030 1 568 54 54 ILE HG12 H 0.999 0.030 2 569 54 54 ILE HG13 H 1.499 0.030 2 570 54 54 ILE HG2 H 0.579 0.030 1 571 54 54 ILE C C 174.779 0.300 1 572 54 54 ILE CA C 60.478 0.300 1 573 54 54 ILE CB C 39.069 0.300 1 574 54 54 ILE CD1 C 12.880 0.300 1 575 54 54 ILE CG1 C 28.046 0.300 1 576 54 54 ILE CG2 C 17.255 0.300 1 577 54 54 ILE N N 121.339 0.300 1 578 55 55 THR H H 8.985 0.030 1 579 55 55 THR HA H 4.614 0.030 1 580 55 55 THR HB H 3.819 0.030 1 581 55 55 THR HG2 H 1.134 0.030 1 582 55 55 THR C C 173.199 0.300 1 583 55 55 THR CA C 61.057 0.300 1 584 55 55 THR CB C 70.697 0.300 1 585 55 55 THR CG2 C 21.090 0.300 1 586 55 55 THR N N 121.602 0.300 1 587 56 56 ILE H H 8.746 0.030 1 588 56 56 ILE HA H 4.723 0.030 1 589 56 56 ILE HB H 1.657 0.030 1 590 56 56 ILE HD1 H 0.848 0.030 1 591 56 56 ILE HG12 H 0.689 0.030 2 592 56 56 ILE HG13 H 1.326 0.030 2 593 56 56 ILE HG2 H 1.154 0.030 1 594 56 56 ILE C C 175.481 0.300 1 595 56 56 ILE CA C 60.404 0.300 1 596 56 56 ILE CB C 40.733 0.300 1 597 56 56 ILE CD1 C 13.978 0.300 1 598 56 56 ILE CG1 C 28.437 0.300 1 599 56 56 ILE CG2 C 18.733 0.300 1 600 56 56 ILE N N 127.967 0.300 1 601 57 57 SER H H 9.404 0.030 1 602 57 57 SER HA H 5.093 0.030 1 603 57 57 SER HB2 H 3.713 0.030 1 604 57 57 SER HB3 H 3.713 0.030 1 605 57 57 SER C C 173.814 0.300 1 606 57 57 SER CA C 56.659 0.300 1 607 57 57 SER CB C 66.443 0.300 1 608 57 57 SER N N 120.379 0.300 1 609 58 58 HIS H H 8.763 0.030 1 610 58 58 HIS HA H 5.311 0.030 1 611 58 58 HIS HB2 H 3.067 0.030 2 612 58 58 HIS HB3 H 3.190 0.030 2 613 58 58 HIS HD2 H 6.376 0.030 1 614 58 58 HIS HE1 H 7.029 0.030 1 615 58 58 HIS C C 173.006 0.300 1 616 58 58 HIS CA C 53.230 0.300 1 617 58 58 HIS CB C 31.393 0.300 1 618 58 58 HIS CD2 C 117.595 0.300 1 619 58 58 HIS CE1 C 136.568 0.300 1 620 59 59 VAL H H 8.644 0.030 1 621 59 59 VAL HA H 4.090 0.030 1 622 59 59 VAL HB H 2.064 0.030 1 623 59 59 VAL HG1 H 0.918 0.030 1 624 59 59 VAL HG2 H 0.886 0.030 1 625 59 59 VAL C C 175.429 0.300 1 626 59 59 VAL CA C 60.862 0.300 1 627 59 59 VAL CB C 33.415 0.300 1 628 59 59 VAL CG1 C 20.794 0.300 2 629 59 59 VAL CG2 C 19.979 0.300 2 630 59 59 VAL N N 129.533 0.300 1 631 60 60 GLY H H 8.761 0.030 1 632 60 60 GLY HA2 H 3.600 0.030 2 633 60 60 GLY HA3 H 4.091 0.030 2 634 60 60 GLY C C 174.147 0.300 1 635 60 60 GLY CA C 46.634 0.300 1 636 60 60 GLY N N 117.506 0.300 1 637 61 61 ARG H H 8.829 0.030 1 638 61 61 ARG HA H 4.009 0.030 1 639 61 61 ARG HB2 H 2.581 0.030 2 640 61 61 ARG HB3 H 1.278 0.030 2 641 61 61 ARG HD2 H 3.198 0.030 2 642 61 61 ARG HD3 H 3.296 0.030 2 643 61 61 ARG HE H 7.936 0.030 1 644 61 61 ARG HG2 H 1.181 0.030 2 645 61 61 ARG HG3 H 1.814 0.030 2 646 61 61 ARG C C 174.884 0.300 1 647 61 61 ARG CA C 57.923 0.300 1 648 61 61 ARG CB C 31.249 0.300 1 649 61 61 ARG CD C 42.937 0.300 1 650 61 61 ARG CG C 29.123 0.300 1 651 61 61 ARG N N 125.393 0.300 1 652 61 61 ARG NE N 84.134 0.300 1 653 62 62 PHE H H 8.314 0.030 1 654 62 62 PHE HA H 5.315 0.030 1 655 62 62 PHE HB2 H 3.304 0.030 2 656 62 62 PHE HB3 H 2.769 0.030 2 657 62 62 PHE HD1 H 7.288 0.030 1 658 62 62 PHE HD2 H 7.288 0.030 1 659 62 62 PHE HE1 H 7.297 0.030 1 660 62 62 PHE HE2 H 7.297 0.030 1 661 62 62 PHE HZ H 7.230 0.030 1 662 62 62 PHE C C 175.850 0.300 1 663 62 62 PHE CA C 57.681 0.300 1 664 62 62 PHE CB C 40.922 0.300 1 665 62 62 PHE CD1 C 131.327 0.300 1 666 62 62 PHE CD2 C 131.327 0.300 1 667 62 62 PHE CE1 C 130.392 0.300 1 668 62 62 PHE CE2 C 130.392 0.300 1 669 62 62 PHE CZ C 129.975 0.300 1 670 62 62 PHE N N 115.206 0.300 1 671 63 63 HIS H H 8.748 0.030 1 672 63 63 HIS HA H 5.047 0.030 1 673 63 63 HIS HB2 H 2.546 0.030 2 674 63 63 HIS HB3 H 2.451 0.030 2 675 63 63 HIS HD2 H 6.399 0.030 1 676 63 63 HIS HE1 H 7.985 0.030 1 677 63 63 HIS C C 174.130 0.300 1 678 63 63 HIS CA C 55.841 0.300 1 679 63 63 HIS CB C 33.641 0.300 1 680 63 63 HIS CD2 C 115.540 0.300 1 681 63 63 HIS CE1 C 137.042 0.300 1 682 63 63 HIS N N 124.610 0.300 1 683 64 64 LYS H H 8.784 0.030 1 684 64 64 LYS HA H 5.590 0.030 1 685 64 64 LYS HB2 H 1.507 0.030 2 686 64 64 LYS HB3 H 1.677 0.030 2 687 64 64 LYS HD2 H 1.409 0.030 2 688 64 64 LYS HD3 H 1.457 0.030 2 689 64 64 LYS HE2 H 2.624 0.030 1 690 64 64 LYS HE3 H 2.624 0.030 1 691 64 64 LYS HG2 H 1.232 0.030 2 692 64 64 LYS HG3 H 1.319 0.030 2 693 64 64 LYS C C 172.023 0.300 1 694 64 64 LYS CA C 54.661 0.300 1 695 64 64 LYS CB C 37.495 0.300 1 696 64 64 LYS CD C 29.622 0.300 1 697 64 64 LYS CE C 41.431 0.300 1 698 64 64 LYS CG C 24.858 0.300 1 699 64 64 LYS N N 122.319 0.300 1 700 65 65 LEU H H 8.519 0.030 1 701 65 65 LEU HA H 4.448 0.030 1 702 65 65 LEU HB2 H -0.823 0.030 2 703 65 65 LEU HB3 H 0.515 0.030 2 704 65 65 LEU HD1 H 0.400 0.030 1 705 65 65 LEU HD2 H 0.510 0.030 1 706 65 65 LEU HG H 0.960 0.030 1 707 65 65 LEU C C 173.533 0.300 1 708 65 65 LEU CA C 53.484 0.300 1 709 65 65 LEU CB C 42.131 0.300 1 710 65 65 LEU CD1 C 25.429 0.300 2 711 65 65 LEU CD2 C 26.896 0.300 2 712 65 65 LEU CG C 27.262 0.300 1 713 65 65 LEU N N 127.599 0.300 1 714 66 66 VAL H H 8.752 0.030 1 715 66 66 VAL HA H 4.684 0.030 1 716 66 66 VAL HB H 1.884 0.030 1 717 66 66 VAL HG1 H 0.707 0.030 1 718 66 66 VAL HG2 H 0.807 0.030 1 719 66 66 VAL C C 174.516 0.300 1 720 66 66 VAL CA C 60.505 0.300 1 721 66 66 VAL CB C 33.964 0.300 1 722 66 66 VAL CG1 C 21.242 0.300 2 723 66 66 VAL CG2 C 21.170 0.300 2 724 66 66 VAL N N 126.262 0.300 1 725 67 67 ILE H H 9.102 0.030 1 726 67 67 ILE HA H 4.499 0.030 1 727 67 67 ILE HB H 1.592 0.030 1 728 67 67 ILE HD1 H 0.657 0.030 1 729 67 67 ILE HG12 H 0.794 0.030 2 730 67 67 ILE HG13 H 1.310 0.030 2 731 67 67 ILE HG2 H 0.731 0.030 1 732 67 67 ILE C C 174.674 0.300 1 733 67 67 ILE CA C 60.067 0.300 1 734 67 67 ILE CB C 39.687 0.300 1 735 67 67 ILE CD1 C 14.035 0.300 1 736 67 67 ILE CG1 C 26.719 0.300 1 737 67 67 ILE CG2 C 17.997 0.300 1 738 67 67 ILE N N 127.459 0.300 1 739 68 68 ASP H H 8.705 0.030 1 740 68 68 ASP HA H 4.789 0.030 1 741 68 68 ASP HB2 H 2.546 0.030 1 742 68 68 ASP HB3 H 2.546 0.030 1 743 68 68 ASP C C 174.744 0.300 1 744 68 68 ASP CA C 54.060 0.300 1 745 68 68 ASP CB C 43.152 0.300 1 746 68 68 ASP N N 125.247 0.300 1 747 69 69 ASP H H 8.397 0.030 1 748 69 69 ASP HA H 3.939 0.030 1 749 69 69 ASP HB2 H 2.900 0.030 2 750 69 69 ASP HB3 H 2.269 0.030 2 751 69 69 ASP C C 174.990 0.300 1 752 69 69 ASP CA C 53.954 0.300 1 753 69 69 ASP CB C 39.670 0.300 1 754 69 69 ASP N N 118.148 0.300 1 755 70 70 VAL H H 8.288 0.030 1 756 70 70 VAL HA H 3.815 0.030 1 757 70 70 VAL HB H 2.013 0.030 1 758 70 70 VAL HG1 H 0.987 0.030 1 759 70 70 VAL HG2 H 0.989 0.030 1 760 70 70 VAL C C 175.867 0.300 1 761 70 70 VAL CA C 64.483 0.300 1 762 70 70 VAL CB C 32.007 0.300 1 763 70 70 VAL CG1 C 22.245 0.300 2 764 70 70 VAL CG2 C 24.130 0.300 2 765 70 70 VAL N N 115.912 0.300 1 766 71 71 ARG H H 9.238 0.030 1 767 71 71 ARG HA H 4.779 0.030 1 768 71 71 ARG HB2 H 1.419 0.030 2 769 71 71 ARG HB3 H 2.059 0.030 2 770 71 71 ARG HD2 H 3.160 0.030 2 771 71 71 ARG HD3 H 3.206 0.030 2 772 71 71 ARG HE H 6.903 0.030 1 773 71 71 ARG HG2 H 1.787 0.030 1 774 71 71 ARG HG3 H 1.787 0.030 1 775 71 71 ARG C C 174.024 0.300 1 776 71 71 ARG CA C 52.809 0.300 1 777 71 71 ARG CB C 30.918 0.300 1 778 71 71 ARG CD C 43.345 0.300 1 779 71 71 ARG CG C 25.911 0.300 1 780 71 71 ARG N N 127.265 0.300 1 781 71 71 ARG NE N 85.281 0.300 1 782 72 72 PRO HA H 2.684 0.030 1 783 72 72 PRO HB2 H 1.820 0.030 2 784 72 72 PRO HB3 H 1.572 0.030 2 785 72 72 PRO HD2 H 3.328 0.030 2 786 72 72 PRO HD3 H 3.579 0.030 2 787 72 72 PRO HG2 H 1.931 0.030 2 788 72 72 PRO HG3 H 1.493 0.030 2 789 72 72 PRO C C 178.887 0.300 1 790 72 72 PRO CA C 65.278 0.300 1 791 72 72 PRO CB C 30.748 0.300 1 792 72 72 PRO CD C 49.382 0.300 1 793 72 72 PRO CG C 26.864 0.300 1 794 73 73 GLU H H 8.712 0.030 1 795 73 73 GLU HA H 4.156 0.030 1 796 73 73 GLU HB2 H 2.014 0.030 1 797 73 73 GLU HB3 H 2.014 0.030 1 798 73 73 GLU HG2 H 2.166 0.030 1 799 73 73 GLU HG3 H 2.166 0.030 1 800 73 73 GLU C C 176.535 0.300 1 801 73 73 GLU CA C 58.037 0.300 1 802 73 73 GLU CB C 28.234 0.300 1 803 73 73 GLU CG C 35.976 0.300 1 804 73 73 GLU N N 113.593 0.300 1 805 74 74 ASP H H 8.414 0.030 1 806 74 74 ASP HA H 4.521 0.030 1 807 74 74 ASP HB2 H 2.961 0.030 2 808 74 74 ASP HB3 H 2.701 0.030 2 809 74 74 ASP C C 176.745 0.300 1 810 74 74 ASP CA C 55.733 0.300 1 811 74 74 ASP CB C 41.428 0.300 1 812 74 74 ASP N N 118.562 0.300 1 813 75 75 GLU H H 7.654 0.030 1 814 75 75 GLU HA H 4.377 0.030 1 815 75 75 GLU HB2 H 2.168 0.030 2 816 75 75 GLU HB3 H 2.247 0.030 2 817 75 75 GLU HG2 H 2.387 0.030 2 818 75 75 GLU HG3 H 2.997 0.030 2 819 75 75 GLU C C 175.078 0.300 1 820 75 75 GLU CA C 57.704 0.300 1 821 75 75 GLU CB C 30.367 0.300 1 822 75 75 GLU CG C 36.413 0.300 1 823 75 75 GLU N N 121.131 0.300 1 824 76 76 GLY H H 8.212 0.030 1 825 76 76 GLY HA2 H 4.139 0.030 2 826 76 76 GLY HA3 H 4.211 0.030 2 827 76 76 GLY C C 170.496 0.300 1 828 76 76 GLY CA C 44.816 0.300 1 829 76 76 GLY N N 109.523 0.300 1 830 77 77 ASP H H 8.166 0.030 1 831 77 77 ASP HA H 5.154 0.030 1 832 77 77 ASP HB2 H 2.567 0.030 2 833 77 77 ASP HB3 H 2.513 0.030 2 834 77 77 ASP C C 175.130 0.300 1 835 77 77 ASP CA C 53.841 0.300 1 836 77 77 ASP CB C 41.796 0.300 1 837 77 77 ASP N N 119.499 0.300 1 838 78 78 TYR H H 9.743 0.030 1 839 78 78 TYR HA H 5.544 0.030 1 840 78 78 TYR HB2 H 2.314 0.030 1 841 78 78 TYR HB3 H 2.314 0.030 1 842 78 78 TYR HD1 H 6.923 0.030 1 843 78 78 TYR HD2 H 6.923 0.030 1 844 78 78 TYR HE1 H 6.737 0.030 1 845 78 78 TYR HE2 H 6.737 0.030 1 846 78 78 TYR C C 175.218 0.300 1 847 78 78 TYR CA C 57.022 0.300 1 848 78 78 TYR CB C 39.859 0.300 1 849 78 78 TYR CD1 C 133.099 0.300 1 850 78 78 TYR CD2 C 133.099 0.300 1 851 78 78 TYR CE1 C 116.483 0.300 1 852 78 78 TYR CE2 C 116.483 0.300 1 853 78 78 TYR N N 127.663 0.300 1 854 79 79 THR H H 9.227 0.030 1 855 79 79 THR HA H 5.653 0.030 1 856 79 79 THR HB H 3.810 0.030 1 857 79 79 THR HG2 H 1.015 0.030 1 858 79 79 THR C C 172.971 0.300 1 859 79 79 THR CA C 58.668 0.300 1 860 79 79 THR CB C 72.873 0.300 1 861 79 79 THR CG2 C 22.784 0.300 1 862 79 79 THR N N 113.678 0.300 1 863 80 80 PHE H H 8.760 0.030 1 864 80 80 PHE HA H 4.628 0.030 1 865 80 80 PHE HB2 H 1.027 0.030 2 866 80 80 PHE HB3 H 1.918 0.030 2 867 80 80 PHE HD1 H 5.501 0.030 1 868 80 80 PHE HD2 H 5.501 0.030 1 869 80 80 PHE HE1 H 6.073 0.030 1 870 80 80 PHE HE2 H 6.073 0.030 1 871 80 80 PHE HZ H 5.144 0.030 1 872 80 80 PHE C C 173.796 0.300 1 873 80 80 PHE CA C 55.788 0.300 1 874 80 80 PHE CB C 40.496 0.300 1 875 80 80 PHE CD1 C 131.105 0.300 1 876 80 80 PHE CD2 C 131.105 0.300 1 877 80 80 PHE CE1 C 128.296 0.300 1 878 80 80 PHE CE2 C 128.296 0.300 1 879 80 80 PHE CZ C 126.585 0.300 1 880 80 80 PHE N N 123.478 0.300 1 881 81 81 VAL H H 8.099 0.030 1 882 81 81 VAL HA H 4.384 0.030 1 883 81 81 VAL HB H 1.825 0.030 1 884 81 81 VAL HG1 H 0.843 0.030 1 885 81 81 VAL HG2 H 0.712 0.030 1 886 81 81 VAL C C 174.165 0.300 1 887 81 81 VAL CA C 57.799 0.300 1 888 81 81 VAL CB C 34.241 0.300 1 889 81 81 VAL CG1 C 20.496 0.300 2 890 81 81 VAL CG2 C 20.837 0.300 2 891 81 81 VAL N N 126.465 0.300 1 892 82 82 PRO HA H 4.182 0.030 1 893 82 82 PRO HB2 H 1.774 0.030 2 894 82 82 PRO HB3 H 1.699 0.030 2 895 82 82 PRO HD2 H 3.915 0.030 2 896 82 82 PRO HD3 H 3.121 0.030 2 897 82 82 PRO HG2 H 1.879 0.030 2 898 82 82 PRO HG3 H 1.380 0.030 2 899 82 82 PRO C C 175.657 0.300 1 900 82 82 PRO CA C 61.191 0.300 1 901 82 82 PRO CB C 31.735 0.300 1 902 82 82 PRO CD C 50.381 0.300 1 903 82 82 PRO CG C 26.770 0.300 1 904 83 83 ASP H H 9.301 0.030 1 905 83 83 ASP HA H 4.434 0.030 1 906 83 83 ASP HB2 H 2.499 0.030 1 907 83 83 ASP HB3 H 2.499 0.030 1 908 83 83 ASP C C 177.026 0.300 1 909 83 83 ASP CA C 55.514 0.300 1 910 83 83 ASP CB C 40.397 0.300 1 911 83 83 ASP N N 125.281 0.300 1 912 84 84 GLY H H 8.523 0.030 1 913 84 84 GLY HA2 H 3.930 0.030 2 914 84 84 GLY HA3 H 3.521 0.030 2 915 84 84 GLY C C 173.445 0.300 1 916 84 84 GLY CA C 45.228 0.300 1 917 84 84 GLY N N 110.386 0.300 1 918 85 85 TYR H H 7.245 0.030 1 919 85 85 TYR HA H 4.616 0.030 1 920 85 85 TYR HB2 H 2.437 0.030 2 921 85 85 TYR HB3 H 2.962 0.030 2 922 85 85 TYR HD1 H 6.983 0.030 1 923 85 85 TYR HD2 H 6.983 0.030 1 924 85 85 TYR HE1 H 6.797 0.030 1 925 85 85 TYR HE2 H 6.797 0.030 1 926 85 85 TYR C C 174.358 0.300 1 927 85 85 TYR CA C 57.230 0.300 1 928 85 85 TYR CB C 41.611 0.300 1 929 85 85 TYR CD1 C 133.516 0.300 1 930 85 85 TYR CD2 C 133.516 0.300 1 931 85 85 TYR CE1 C 118.220 0.300 1 932 85 85 TYR CE2 C 118.220 0.300 1 933 85 85 TYR N N 116.808 0.300 1 934 86 86 ALA H H 8.613 0.030 1 935 86 86 ALA HA H 4.511 0.030 1 936 86 86 ALA HB H 1.295 0.030 1 937 86 86 ALA C C 175.885 0.300 1 938 86 86 ALA CA C 50.961 0.300 1 939 86 86 ALA CB C 17.173 0.300 1 940 86 86 ALA N N 125.670 0.300 1 941 87 87 LEU H H 7.513 0.030 1 942 87 87 LEU HA H 4.527 0.030 1 943 87 87 LEU HB2 H 1.438 0.030 2 944 87 87 LEU HB3 H 1.404 0.030 2 945 87 87 LEU HD1 H 0.777 0.030 1 946 87 87 LEU HD2 H 0.784 0.030 1 947 87 87 LEU HG H 1.442 0.030 1 948 87 87 LEU C C 174.446 0.300 1 949 87 87 LEU CA C 54.135 0.300 1 950 87 87 LEU CB C 45.250 0.300 1 951 87 87 LEU CD1 C 24.824 0.300 2 952 87 87 LEU CD2 C 25.115 0.300 2 953 87 87 LEU CG C 26.825 0.300 1 954 87 87 LEU N N 121.598 0.300 1 955 88 88 SER H H 8.112 0.030 1 956 88 88 SER HA H 4.745 0.030 1 957 88 88 SER HB2 H 3.554 0.030 2 958 88 88 SER HB3 H 3.642 0.030 2 959 88 88 SER C C 172.708 0.300 1 960 88 88 SER CA C 57.077 0.300 1 961 88 88 SER CB C 64.532 0.300 1 962 88 88 SER N N 114.326 0.300 1 963 89 89 LEU H H 8.737 0.030 1 964 89 89 LEU HA H 4.883 0.030 1 965 89 89 LEU HB2 H 1.800 0.030 2 966 89 89 LEU HB3 H 1.939 0.030 2 967 89 89 LEU HD1 H 1.017 0.030 1 968 89 89 LEU HD2 H 0.932 0.030 1 969 89 89 LEU HG H 1.752 0.030 1 970 89 89 LEU C C 175.393 0.300 1 971 89 89 LEU CA C 54.362 0.300 1 972 89 89 LEU CB C 42.098 0.300 1 973 89 89 LEU CD1 C 24.254 0.300 2 974 89 89 LEU CD2 C 25.182 0.300 2 975 89 89 LEU CG C 28.040 0.300 1 976 89 89 LEU N N 126.704 0.300 1 977 90 90 SER H H 8.764 0.030 1 978 90 90 SER HA H 5.672 0.030 1 979 90 90 SER HB2 H 3.648 0.030 2 980 90 90 SER HB3 H 3.710 0.030 2 981 90 90 SER C C 172.813 0.300 1 982 90 90 SER CA C 56.913 0.300 1 983 90 90 SER CB C 66.526 0.300 1 984 90 90 SER N N 116.262 0.300 1 985 91 91 ALA H H 9.242 0.030 1 986 91 91 ALA HA H 4.673 0.030 1 987 91 91 ALA HB H 1.369 0.030 1 988 91 91 ALA C C 174.516 0.300 1 989 91 91 ALA CA C 51.784 0.300 1 990 91 91 ALA CB C 23.500 0.300 1 991 91 91 ALA N N 125.708 0.300 1 992 92 92 LYS H H 9.100 0.030 1 993 92 92 LYS HA H 5.254 0.030 1 994 92 92 LYS HB2 H 1.672 0.030 2 995 92 92 LYS HB3 H 1.807 0.030 2 996 92 92 LYS HD2 H 1.720 0.030 1 997 92 92 LYS HD3 H 1.720 0.030 1 998 92 92 LYS HE2 H 2.812 0.030 2 999 92 92 LYS HG2 H 1.405 0.030 2 1000 92 92 LYS HG3 H 1.519 0.030 2 1001 92 92 LYS C C 175.376 0.300 1 1002 92 92 LYS CA C 54.938 0.300 1 1003 92 92 LYS CB C 35.284 0.300 1 1004 92 92 LYS CD C 28.759 0.300 1 1005 92 92 LYS CE C 42.010 0.300 1 1006 92 92 LYS CG C 24.989 0.300 1 1007 92 92 LYS N N 120.550 0.300 1 1008 93 93 LEU H H 8.966 0.030 1 1009 93 93 LEU HA H 5.076 0.030 1 1010 93 93 LEU HB2 H 2.451 0.030 2 1011 93 93 LEU HB3 H 1.828 0.030 2 1012 93 93 LEU HD1 H 0.784 0.030 1 1013 93 93 LEU HD2 H 0.697 0.030 1 1014 93 93 LEU HG H 1.459 0.030 1 1015 93 93 LEU C C 175.446 0.300 1 1016 93 93 LEU CA C 55.211 0.300 1 1017 93 93 LEU CB C 44.456 0.300 1 1018 93 93 LEU CD1 C 26.749 0.300 2 1019 93 93 LEU CD2 C 23.905 0.300 2 1020 93 93 LEU CG C 29.200 0.300 1 1021 93 93 LEU N N 123.641 0.300 1 1022 94 94 ASN H H 9.270 0.030 1 1023 94 94 ASN HA H 5.144 0.030 1 1024 94 94 ASN HB2 H 2.731 0.030 2 1025 94 94 ASN HB3 H 3.051 0.030 2 1026 94 94 ASN HD21 H 6.995 0.030 2 1027 94 94 ASN HD22 H 7.068 0.030 2 1028 94 94 ASN C C 172.480 0.300 1 1029 94 94 ASN CA C 52.305 0.300 1 1030 94 94 ASN CB C 40.588 0.300 1 1031 94 94 ASN N N 125.048 0.300 1 1032 94 94 ASN ND2 N 113.815 0.300 1 1033 95 95 PHE H H 9.398 0.030 1 1034 95 95 PHE HA H 4.875 0.030 1 1035 95 95 PHE HB2 H 2.608 0.030 2 1036 95 95 PHE HB3 H 3.154 0.030 2 1037 95 95 PHE HD1 H 6.912 0.030 1 1038 95 95 PHE HD2 H 6.912 0.030 1 1039 95 95 PHE HE1 H 7.055 0.030 1 1040 95 95 PHE HE2 H 7.055 0.030 1 1041 95 95 PHE HZ H 7.271 0.030 1 1042 95 95 PHE C C 174.252 0.300 1 1043 95 95 PHE CA C 57.192 0.300 1 1044 95 95 PHE CB C 41.576 0.300 1 1045 95 95 PHE CD1 C 131.628 0.300 1 1046 95 95 PHE CD2 C 131.628 0.300 1 1047 95 95 PHE CE1 C 130.318 0.300 1 1048 95 95 PHE CE2 C 130.318 0.300 1 1049 95 95 PHE CZ C 129.245 0.300 1 1050 95 95 PHE N N 126.161 0.300 1 1051 96 96 LEU H H 8.199 0.030 1 1052 96 96 LEU HA H 4.354 0.030 1 1053 96 96 LEU HB2 H 1.027 0.030 2 1054 96 96 LEU HB3 H 1.301 0.030 2 1055 96 96 LEU HD1 H 0.779 0.030 1 1056 96 96 LEU HD2 H 0.724 0.030 1 1057 96 96 LEU HG H 1.244 0.030 1 1058 96 96 LEU C C 173.656 0.300 1 1059 96 96 LEU CA C 53.594 0.300 1 1060 96 96 LEU CB C 43.153 0.300 1 1061 96 96 LEU CD1 C 23.916 0.300 2 1062 96 96 LEU CD2 C 24.431 0.300 2 1063 96 96 LEU CG C 26.493 0.300 1 1064 96 96 LEU N N 131.059 0.300 1 1065 97 97 GLU H H 8.307 0.030 1 1066 97 97 GLU HA H 4.219 0.030 1 1067 97 97 GLU HB2 H 2.007 0.030 2 1068 97 97 GLU HB3 H 2.059 0.030 2 1069 97 97 GLU HG2 H 2.234 0.030 2 1070 97 97 GLU HG3 H 2.323 0.030 2 1071 97 97 GLU C C 175.464 0.300 1 1072 97 97 GLU CA C 55.569 0.300 1 1073 97 97 GLU CB C 30.887 0.300 1 1074 97 97 GLU CG C 36.203 0.300 1 1075 97 97 GLU N N 124.717 0.300 1 1076 98 98 ILE H H 8.212 0.030 1 1077 98 98 ILE HA H 4.168 0.030 1 1078 98 98 ILE HB H 1.836 0.030 1 1079 98 98 ILE HD1 H 0.830 0.030 1 1080 98 98 ILE HG12 H 1.184 0.030 2 1081 98 98 ILE HG13 H 1.440 0.030 2 1082 98 98 ILE HG2 H 0.868 0.030 1 1083 98 98 ILE C C 175.622 0.300 1 1084 98 98 ILE CA C 60.451 0.300 1 1085 98 98 ILE CB C 38.399 0.300 1 1086 98 98 ILE CD1 C 12.357 0.300 1 1087 98 98 ILE CG1 C 26.932 0.300 1 1088 98 98 ILE CG2 C 17.243 0.300 1 1089 98 98 ILE N N 123.651 0.300 1 1090 99 99 LYS H H 8.494 0.030 1 1091 99 99 LYS HA H 4.432 0.030 1 1092 99 99 LYS HB2 H 1.736 0.030 2 1093 99 99 LYS HB3 H 1.806 0.030 2 1094 99 99 LYS HG2 H 1.376 0.030 2 1095 99 99 LYS HG3 H 1.424 0.030 2 1096 99 99 LYS C C 176.096 0.300 1 1097 99 99 LYS CA C 55.733 0.300 1 1098 99 99 LYS CB C 33.040 0.300 1 1099 99 99 LYS CD C 29.160 0.300 1 1100 99 99 LYS CE C 42.072 0.300 1 1101 99 99 LYS CG C 24.604 0.300 1 1102 99 99 LYS N N 126.692 0.300 1 1103 100 100 VAL H H 8.314 0.030 1 1104 100 100 VAL HA H 4.183 0.030 1 1105 100 100 VAL HB H 2.099 0.030 1 1106 100 100 VAL HG1 H 0.943 0.030 1 1107 100 100 VAL HG2 H 0.943 0.030 1 1108 100 100 VAL C C 175.903 0.300 1 1109 100 100 VAL CA C 61.908 0.300 1 1110 100 100 VAL CB C 32.699 0.300 1 1111 100 100 VAL CG1 C 20.914 0.300 2 1112 100 100 VAL CG2 C 20.138 0.300 2 1113 100 100 VAL N N 122.239 0.300 1 1114 101 101 SER H H 8.443 0.030 1 1115 101 101 SER HA H 4.528 0.030 1 1116 101 101 SER HB2 H 3.863 0.030 1 1117 101 101 SER HB3 H 3.863 0.030 1 1118 101 101 SER C C 174.252 0.300 1 1119 101 101 SER CA C 58.037 0.300 1 1120 101 101 SER CB C 63.776 0.300 1 1121 101 101 SER N N 119.909 0.300 1 1122 102 102 GLY H H 8.264 0.030 1 1123 102 102 GLY HA2 H 4.190 0.030 2 1124 102 102 GLY HA3 H 4.098 0.030 2 1125 102 102 GLY C C 171.567 0.300 1 1126 102 102 GLY CA C 44.485 0.300 1 1127 102 102 GLY N N 110.848 0.300 1 1128 103 103 PRO HA H 4.496 0.030 1 1129 103 103 PRO HB2 H 2.306 0.030 2 1130 103 103 PRO HB3 H 1.987 0.030 2 1131 103 103 PRO HD2 H 3.637 0.030 1 1132 103 103 PRO HD3 H 3.637 0.030 1 1133 103 103 PRO HG2 H 2.026 0.030 1 1134 103 103 PRO HG3 H 2.026 0.030 1 1135 103 103 PRO C C 177.184 0.300 1 1136 103 103 PRO CA C 63.057 0.300 1 1137 103 103 PRO CB C 31.994 0.300 1 1138 103 103 PRO CD C 49.597 0.300 1 1139 103 103 PRO CG C 26.928 0.300 1 1140 104 104 SER H H 8.527 0.030 1 1141 104 104 SER HA H 4.525 0.030 1 1142 104 104 SER HB2 H 3.924 0.030 1 1143 104 104 SER HB3 H 3.924 0.030 1 1144 104 104 SER C C 174.428 0.300 1 1145 104 104 SER CA C 58.174 0.300 1 1146 104 104 SER CB C 63.586 0.300 1 1147 104 104 SER N N 116.270 0.300 1 1148 105 105 SER H H 8.327 0.030 1 1149 105 105 SER HA H 4.511 0.030 1 1150 105 105 SER HB2 H 3.909 0.030 1 1151 105 105 SER HB3 H 3.909 0.030 1 1152 105 105 SER C C 173.726 0.300 1 1153 105 105 SER CA C 58.202 0.300 1 1154 105 105 SER CB C 63.722 0.300 1 1155 105 105 SER N N 117.720 0.300 1 1156 106 106 GLY H H 8.050 0.030 1 1157 106 106 GLY HA2 H 3.789 0.030 1 1158 106 106 GLY HA3 H 3.789 0.030 1 1159 106 106 GLY C C 178.852 0.300 1 1160 106 106 GLY CA C 45.855 0.300 1 1161 106 106 GLY N N 116.800 0.300 1 stop_ save_