data_11235 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 6th Ig-like domain from human Myosin-binding protein C, fast-type ; _BMRB_accession_number 11235 _BMRB_flat_file_name bmr11235.str _Entry_type original _Submission_date 2010-07-23 _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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" 686 "13C chemical shifts" 515 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the 6th Ig-like domain from human 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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; GSSGSSGTLAQPVTIREIAE PPKIRLPRHLRQTYIRKVGE QLNLVVPFQGKPRPQVVWTK GGAPLDTSRVHVRTSDFDTV FFVRQAARSDSGEYELSVQI ENMKDTATIRIRVVEKAG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 LEU 10 ALA 11 GLN 12 PRO 13 VAL 14 THR 15 ILE 16 ARG 17 GLU 18 ILE 19 ALA 20 GLU 21 PRO 22 PRO 23 LYS 24 ILE 25 ARG 26 LEU 27 PRO 28 ARG 29 HIS 30 LEU 31 ARG 32 GLN 33 THR 34 TYR 35 ILE 36 ARG 37 LYS 38 VAL 39 GLY 40 GLU 41 GLN 42 LEU 43 ASN 44 LEU 45 VAL 46 VAL 47 PRO 48 PHE 49 GLN 50 GLY 51 LYS 52 PRO 53 ARG 54 PRO 55 GLN 56 VAL 57 VAL 58 TRP 59 THR 60 LYS 61 GLY 62 GLY 63 ALA 64 PRO 65 LEU 66 ASP 67 THR 68 SER 69 ARG 70 VAL 71 HIS 72 VAL 73 ARG 74 THR 75 SER 76 ASP 77 PHE 78 ASP 79 THR 80 VAL 81 PHE 82 PHE 83 VAL 84 ARG 85 GLN 86 ALA 87 ALA 88 ARG 89 SER 90 ASP 91 SER 92 GLY 93 GLU 94 TYR 95 GLU 96 LEU 97 SER 98 VAL 99 GLN 100 ILE 101 GLU 102 ASN 103 MET 104 LYS 105 ASP 106 THR 107 ALA 108 THR 109 ILE 110 ARG 111 ILE 112 ARG 113 VAL 114 VAL 115 GLU 116 LYS 117 ALA 118 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2E7C "Solution Structure Of The 6th Ig-Like Domain From Human Myosin-Binding Protein C, Fast-Type" 100.00 118 100.00 100.00 5.94e-79 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 human 9606 Eukaryota Metazoa Homo sapiens 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 P060828-20 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.04mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3, 90% {H2O;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.04 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_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . 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 0.9816 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 Varian _Model INOVA _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 293 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 $VNMR $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 7 7 GLY HA2 H 4.029 0.030 1 2 7 7 GLY HA3 H 4.029 0.030 1 3 7 7 GLY C C 174.314 0.300 1 4 7 7 GLY CA C 45.443 0.300 1 5 8 8 THR H H 8.086 0.030 1 6 8 8 THR HA H 4.326 0.030 1 7 8 8 THR HB H 4.198 0.030 1 8 8 8 THR HG2 H 1.190 0.030 1 9 8 8 THR C C 176.954 0.300 1 10 8 8 THR CA C 61.968 0.300 1 11 8 8 THR CB C 69.868 0.300 1 12 8 8 THR CG2 C 21.607 0.300 1 13 8 8 THR N N 114.215 0.300 1 14 9 9 LEU H H 8.290 0.030 1 15 9 9 LEU HA H 4.354 0.030 1 16 9 9 LEU HB2 H 1.634 0.030 2 17 9 9 LEU HB3 H 1.583 0.030 2 18 9 9 LEU HD1 H 0.932 0.030 1 19 9 9 LEU HD2 H 0.873 0.030 1 20 9 9 LEU HG H 1.632 0.030 1 21 9 9 LEU C C 176.944 0.300 1 22 9 9 LEU CA C 55.022 0.300 1 23 9 9 LEU CB C 42.305 0.300 1 24 9 9 LEU CD1 C 24.840 0.300 2 25 9 9 LEU CD2 C 23.481 0.300 2 26 9 9 LEU CG C 26.910 0.300 1 27 9 9 LEU N N 124.994 0.300 1 28 10 10 ALA H H 8.285 0.030 1 29 10 10 ALA HA H 4.292 0.030 1 30 10 10 ALA HB H 1.371 0.030 1 31 10 10 ALA C C 177.320 0.300 1 32 10 10 ALA CA C 52.239 0.300 1 33 10 10 ALA CB C 19.115 0.300 1 34 10 10 ALA N N 125.280 0.300 1 35 11 11 GLN H H 8.275 0.030 1 36 11 11 GLN HA H 4.607 0.030 1 37 11 11 GLN HB2 H 1.918 0.030 2 38 11 11 GLN HB3 H 2.089 0.030 2 39 11 11 GLN HE21 H 7.571 0.030 2 40 11 11 GLN HE22 H 6.903 0.030 2 41 11 11 GLN HG2 H 2.388 0.030 1 42 11 11 GLN HG3 H 2.388 0.030 1 43 11 11 GLN C C 173.925 0.300 1 44 11 11 GLN CA C 53.380 0.300 1 45 11 11 GLN CB C 28.989 0.300 1 46 11 11 GLN CG C 33.399 0.300 1 47 11 11 GLN N N 120.730 0.300 1 48 11 11 GLN NE2 N 112.770 0.300 1 49 12 12 PRO HA H 4.462 0.030 1 50 12 12 PRO HB2 H 2.290 0.030 2 51 12 12 PRO HB3 H 1.884 0.030 2 52 12 12 PRO HD2 H 3.654 0.030 2 53 12 12 PRO HD3 H 3.780 0.030 2 54 12 12 PRO HG2 H 2.001 0.030 1 55 12 12 PRO HG3 H 2.001 0.030 1 56 12 12 PRO C C 176.793 0.300 1 57 12 12 PRO CA C 62.970 0.300 1 58 12 12 PRO CB C 32.107 0.300 1 59 12 12 PRO CD C 50.563 0.300 1 60 12 12 PRO CG C 27.304 0.300 1 61 13 13 VAL H H 8.330 0.030 1 62 13 13 VAL HA H 4.140 0.030 1 63 13 13 VAL HB H 2.061 0.030 1 64 13 13 VAL HG1 H 0.942 0.030 1 65 13 13 VAL HG2 H 0.969 0.030 1 66 13 13 VAL C C 176.383 0.300 1 67 13 13 VAL CA C 62.315 0.300 1 68 13 13 VAL CB C 32.774 0.300 1 69 13 13 VAL CG1 C 21.107 0.300 2 70 13 13 VAL CG2 C 20.623 0.300 2 71 13 13 VAL N N 120.810 0.300 1 72 14 14 THR H H 8.307 0.030 1 73 14 14 THR HA H 4.344 0.030 1 74 14 14 THR HB H 4.116 0.030 1 75 14 14 THR HG2 H 1.169 0.030 1 76 14 14 THR C C 174.441 0.300 1 77 14 14 THR CA C 61.735 0.300 1 78 14 14 THR CB C 69.868 0.300 1 79 14 14 THR CG2 C 21.583 0.300 1 80 14 14 THR N N 119.388 0.300 1 81 15 15 ILE H H 8.302 0.030 1 82 15 15 ILE HA H 4.166 0.030 1 83 15 15 ILE HB H 1.845 0.030 1 84 15 15 ILE HD1 H 0.845 0.030 1 85 15 15 ILE HG12 H 1.179 0.030 2 86 15 15 ILE HG13 H 1.460 0.030 2 87 15 15 ILE HG2 H 0.880 0.030 1 88 15 15 ILE C C 175.855 0.300 1 89 15 15 ILE CA C 60.872 0.300 1 90 15 15 ILE CB C 38.630 0.300 1 91 15 15 ILE CD1 C 12.727 0.300 1 92 15 15 ILE CG1 C 27.214 0.300 1 93 15 15 ILE CG2 C 17.357 0.300 1 94 15 15 ILE N N 124.631 0.300 1 95 16 16 ARG H H 8.433 0.030 1 96 16 16 ARG HA H 4.341 0.030 1 97 16 16 ARG HB2 H 1.793 0.030 2 98 16 16 ARG HB3 H 1.721 0.030 2 99 16 16 ARG HD2 H 3.180 0.030 1 100 16 16 ARG HD3 H 3.180 0.030 1 101 16 16 ARG HG2 H 1.628 0.030 2 102 16 16 ARG HG3 H 1.578 0.030 2 103 16 16 ARG C C 175.669 0.300 1 104 16 16 ARG CA C 55.774 0.300 1 105 16 16 ARG CB C 30.913 0.300 1 106 16 16 ARG CD C 43.280 0.300 1 107 16 16 ARG CG C 27.035 0.300 1 108 16 16 ARG N N 125.874 0.300 1 109 17 17 GLU H H 8.395 0.030 1 110 17 17 GLU HA H 4.270 0.030 1 111 17 17 GLU HB2 H 1.965 0.030 2 112 17 17 GLU HB3 H 1.890 0.030 2 113 17 17 GLU HG2 H 2.223 0.030 2 114 17 17 GLU HG3 H 2.167 0.030 2 115 17 17 GLU C C 175.900 0.300 1 116 17 17 GLU CA C 56.238 0.300 1 117 17 17 GLU CB C 30.570 0.300 1 118 17 17 GLU CG C 36.277 0.300 1 119 17 17 GLU N N 122.724 0.300 1 120 18 18 ILE H H 8.284 0.030 1 121 18 18 ILE HA H 4.075 0.030 1 122 18 18 ILE HB H 1.810 0.030 1 123 18 18 ILE HD1 H 0.875 0.030 1 124 18 18 ILE HG12 H 1.505 0.030 2 125 18 18 ILE HG13 H 1.093 0.030 2 126 18 18 ILE HG2 H 0.856 0.030 1 127 18 18 ILE C C 175.301 0.300 1 128 18 18 ILE CA C 61.106 0.300 1 129 18 18 ILE CB C 38.622 0.300 1 130 18 18 ILE CD1 C 13.220 0.300 1 131 18 18 ILE CG1 C 27.357 0.300 1 132 18 18 ILE CG2 C 17.482 0.300 1 133 18 18 ILE N N 123.425 0.300 1 134 19 19 ALA H H 8.221 0.030 1 135 19 19 ALA HA H 4.377 0.030 1 136 19 19 ALA HB H 1.348 0.030 1 137 19 19 ALA C C 177.398 0.300 1 138 19 19 ALA CA C 52.728 0.300 1 139 19 19 ALA CB C 19.622 0.300 1 140 19 19 ALA N N 129.770 0.300 1 141 20 20 GLU H H 8.636 0.030 1 142 20 20 GLU HA H 4.822 0.030 1 143 20 20 GLU HB2 H 2.017 0.030 2 144 20 20 GLU HB3 H 1.892 0.030 2 145 20 20 GLU HG2 H 2.197 0.030 1 146 20 20 GLU HG3 H 2.197 0.030 1 147 20 20 GLU C C 172.749 0.300 1 148 20 20 GLU CA C 53.328 0.300 1 149 20 20 GLU CB C 32.454 0.300 1 150 20 20 GLU CG C 36.145 0.300 1 151 20 20 GLU N N 121.236 0.300 1 152 21 21 PRO HA H 4.411 0.030 1 153 21 21 PRO HB2 H 2.415 0.030 2 154 21 21 PRO HB3 H 1.779 0.030 2 155 21 21 PRO HD2 H 3.765 0.030 2 156 21 21 PRO HD3 H 3.663 0.030 2 157 21 21 PRO HG2 H 1.991 0.030 1 158 21 21 PRO HG3 H 1.991 0.030 1 159 21 21 PRO CA C 61.264 0.300 1 160 21 21 PRO CB C 31.107 0.300 1 161 21 21 PRO CD C 50.855 0.300 1 162 21 21 PRO CG C 27.298 0.300 1 163 22 22 PRO HA H 4.994 0.030 1 164 22 22 PRO HB2 H 1.686 0.030 1 165 22 22 PRO HB3 H 1.686 0.030 1 166 22 22 PRO HD2 H 3.727 0.030 2 167 22 22 PRO HD3 H 3.504 0.030 2 168 22 22 PRO HG2 H 1.847 0.030 2 169 22 22 PRO HG3 H 2.035 0.030 2 170 22 22 PRO C C 176.814 0.300 1 171 22 22 PRO CA C 61.662 0.300 1 172 22 22 PRO CB C 32.232 0.300 1 173 22 22 PRO CD C 49.763 0.300 1 174 22 22 PRO CG C 26.857 0.300 1 175 23 23 LYS H H 8.110 0.030 1 176 23 23 LYS HA H 4.544 0.030 1 177 23 23 LYS HB2 H 1.597 0.030 1 178 23 23 LYS HB3 H 1.597 0.030 1 179 23 23 LYS HD2 H 1.660 0.030 1 180 23 23 LYS HD3 H 1.660 0.030 1 181 23 23 LYS HE2 H 2.943 0.030 1 182 23 23 LYS HE3 H 2.943 0.030 1 183 23 23 LYS HG2 H 1.235 0.030 1 184 23 23 LYS HG3 H 1.235 0.030 1 185 23 23 LYS C C 175.421 0.300 1 186 23 23 LYS CA C 55.179 0.300 1 187 23 23 LYS CB C 35.668 0.300 1 188 23 23 LYS CD C 28.572 0.300 1 189 23 23 LYS CE C 42.128 0.300 1 190 23 23 LYS CG C 24.394 0.300 1 191 23 23 LYS N N 120.488 0.300 1 192 24 24 ILE H H 9.917 0.030 1 193 24 24 ILE HA H 3.832 0.030 1 194 24 24 ILE HB H 1.632 0.030 1 195 24 24 ILE HD1 H 0.523 0.030 1 196 24 24 ILE HG12 H 1.470 0.030 2 197 24 24 ILE HG13 H 0.583 0.030 2 198 24 24 ILE HG2 H 0.646 0.030 1 199 24 24 ILE C C 175.713 0.300 1 200 24 24 ILE CA C 62.465 0.300 1 201 24 24 ILE CB C 39.107 0.300 1 202 24 24 ILE CD1 C 14.768 0.300 1 203 24 24 ILE CG1 C 29.857 0.300 1 204 24 24 ILE CG2 C 18.107 0.300 1 205 24 24 ILE N N 129.593 0.300 1 206 25 25 ARG H H 8.298 0.030 1 207 25 25 ARG HA H 4.680 0.030 1 208 25 25 ARG HB2 H 1.641 0.030 1 209 25 25 ARG HB3 H 1.641 0.030 1 210 25 25 ARG HD2 H 3.098 0.030 1 211 25 25 ARG HD3 H 3.098 0.030 1 212 25 25 ARG HG2 H 1.528 0.030 2 213 25 25 ARG HG3 H 1.394 0.030 2 214 25 25 ARG C C 174.915 0.300 1 215 25 25 ARG CA C 53.082 0.300 1 216 25 25 ARG CB C 29.155 0.300 1 217 25 25 ARG CD C 43.357 0.300 1 218 25 25 ARG CG C 26.232 0.300 1 219 25 25 ARG N N 129.828 0.300 1 220 26 26 LEU H H 8.328 0.030 1 221 26 26 LEU HA H 4.166 0.030 1 222 26 26 LEU HB2 H 1.433 0.030 1 223 26 26 LEU HB3 H 1.433 0.030 1 224 26 26 LEU HD1 H 0.789 0.030 1 225 26 26 LEU HD2 H 0.706 0.030 1 226 26 26 LEU HG H 1.589 0.030 1 227 26 26 LEU C C 175.665 0.300 1 228 26 26 LEU CA C 53.689 0.300 1 229 26 26 LEU CB C 42.601 0.300 1 230 26 26 LEU CD1 C 25.329 0.300 2 231 26 26 LEU CD2 C 24.695 0.300 2 232 26 26 LEU CG C 26.027 0.300 1 233 26 26 LEU N N 124.308 0.300 1 234 27 27 PRO HA H 4.640 0.030 1 235 27 27 PRO HB2 H 2.621 0.030 2 236 27 27 PRO HB3 H 1.935 0.030 2 237 27 27 PRO HD2 H 3.550 0.030 2 238 27 27 PRO HD3 H 4.256 0.030 2 239 27 27 PRO HG2 H 2.290 0.030 2 240 27 27 PRO HG3 H 1.906 0.030 2 241 27 27 PRO CA C 62.350 0.300 1 242 27 27 PRO CB C 32.914 0.300 1 243 27 27 PRO CD C 51.114 0.300 1 244 27 27 PRO CG C 27.651 0.300 1 245 28 28 ARG H H 9.009 0.030 1 246 28 28 ARG HA H 3.800 0.030 1 247 28 28 ARG HB2 H 2.006 0.030 2 248 28 28 ARG HB3 H 2.001 0.030 2 249 28 28 ARG HD2 H 3.297 0.030 1 250 28 28 ARG HD3 H 3.297 0.030 1 251 28 28 ARG HG2 H 1.802 0.030 2 252 28 28 ARG HG3 H 1.749 0.030 2 253 28 28 ARG C C 179.128 0.300 1 254 28 28 ARG CA C 60.264 0.300 1 255 28 28 ARG CB C 30.107 0.300 1 256 28 28 ARG CD C 43.232 0.300 1 257 28 28 ARG CG C 27.232 0.300 1 258 28 28 ARG N N 122.192 0.300 1 259 29 29 HIS H H 8.467 0.030 1 260 29 29 HIS HA H 4.620 0.030 1 261 29 29 HIS HB2 H 3.135 0.030 2 262 29 29 HIS HB3 H 3.441 0.030 2 263 29 29 HIS HD2 H 6.737 0.030 1 264 29 29 HIS HE1 H 7.895 0.030 1 265 29 29 HIS C C 175.835 0.300 1 266 29 29 HIS CA C 58.364 0.300 1 267 29 29 HIS CB C 29.380 0.300 1 268 29 29 HIS CD2 C 117.086 0.300 1 269 29 29 HIS CE1 C 139.482 0.300 1 270 29 29 HIS N N 114.248 0.300 1 271 30 30 LEU H H 7.344 0.030 1 272 30 30 LEU HA H 4.782 0.030 1 273 30 30 LEU HB2 H 1.709 0.030 2 274 30 30 LEU HB3 H 1.373 0.030 2 275 30 30 LEU HD1 H 0.703 0.030 1 276 30 30 LEU HD2 H 0.557 0.030 1 277 30 30 LEU HG H 0.572 0.030 1 278 30 30 LEU C C 176.732 0.300 1 279 30 30 LEU CA C 53.664 0.300 1 280 30 30 LEU CB C 40.954 0.300 1 281 30 30 LEU CD1 C 25.626 0.300 2 282 30 30 LEU CD2 C 22.780 0.300 2 283 30 30 LEU CG C 26.334 0.300 1 284 30 30 LEU N N 116.944 0.300 1 285 31 31 ARG H H 7.466 0.030 1 286 31 31 ARG HA H 4.261 0.030 1 287 31 31 ARG HB2 H 2.139 0.030 2 288 31 31 ARG HB3 H 1.872 0.030 2 289 31 31 ARG HD2 H 3.167 0.030 2 290 31 31 ARG HD3 H 3.289 0.030 2 291 31 31 ARG HG2 H 1.596 0.030 2 292 31 31 ARG HG3 H 1.803 0.030 2 293 31 31 ARG C C 175.227 0.300 1 294 31 31 ARG CA C 57.289 0.300 1 295 31 31 ARG CB C 29.937 0.300 1 296 31 31 ARG CD C 43.732 0.300 1 297 31 31 ARG CG C 27.982 0.300 1 298 31 31 ARG N N 118.810 0.300 1 299 32 32 GLN H H 7.327 0.030 1 300 32 32 GLN HA H 4.703 0.030 1 301 32 32 GLN HB2 H 2.334 0.030 2 302 32 32 GLN HB3 H 2.097 0.030 2 303 32 32 GLN HE21 H 6.943 0.030 2 304 32 32 GLN HE22 H 7.663 0.030 2 305 32 32 GLN HG2 H 2.358 0.030 1 306 32 32 GLN HG3 H 2.358 0.030 1 307 32 32 GLN C C 175.007 0.300 1 308 32 32 GLN CA C 53.513 0.300 1 309 32 32 GLN CB C 31.107 0.300 1 310 32 32 GLN CG C 33.272 0.300 1 311 32 32 GLN N N 114.988 0.300 1 312 32 32 GLN NE2 N 112.242 0.300 1 313 33 33 THR H H 8.437 0.030 1 314 33 33 THR HA H 4.081 0.030 1 315 33 33 THR HB H 3.949 0.030 1 316 33 33 THR HG2 H 1.010 0.030 1 317 33 33 THR C C 173.307 0.300 1 318 33 33 THR CA C 64.962 0.300 1 319 33 33 THR CB C 68.773 0.300 1 320 33 33 THR CG2 C 22.712 0.300 1 321 33 33 THR N N 117.385 0.300 1 322 34 34 TYR H H 9.255 0.030 1 323 34 34 TYR HA H 4.848 0.030 1 324 34 34 TYR HB2 H 3.116 0.030 2 325 34 34 TYR HB3 H 2.953 0.030 2 326 34 34 TYR HD1 H 7.086 0.030 1 327 34 34 TYR HD2 H 7.086 0.030 1 328 34 34 TYR HE1 H 6.776 0.030 1 329 34 34 TYR HE2 H 6.776 0.030 1 330 34 34 TYR C C 173.230 0.300 1 331 34 34 TYR CA C 57.422 0.300 1 332 34 34 TYR CB C 39.079 0.300 1 333 34 34 TYR CD1 C 132.494 0.300 1 334 34 34 TYR CD2 C 132.494 0.300 1 335 34 34 TYR CE1 C 117.734 0.300 1 336 34 34 TYR CE2 C 117.734 0.300 1 337 34 34 TYR N N 133.125 0.300 1 338 35 35 ILE H H 8.220 0.030 1 339 35 35 ILE HA H 5.248 0.030 1 340 35 35 ILE HB H 1.560 0.030 1 341 35 35 ILE HD1 H 0.853 0.030 1 342 35 35 ILE HG12 H 1.526 0.030 2 343 35 35 ILE HG13 H 0.857 0.030 2 344 35 35 ILE HG2 H 0.774 0.030 1 345 35 35 ILE C C 176.962 0.300 1 346 35 35 ILE CA C 59.938 0.300 1 347 35 35 ILE CB C 39.394 0.300 1 348 35 35 ILE CD1 C 13.524 0.300 1 349 35 35 ILE CG1 C 28.239 0.300 1 350 35 35 ILE CG2 C 17.467 0.300 1 351 35 35 ILE N N 129.074 0.300 1 352 36 36 ARG H H 8.470 0.030 1 353 36 36 ARG HA H 4.585 0.030 1 354 36 36 ARG HB2 H 1.146 0.030 2 355 36 36 ARG HB3 H 1.894 0.030 2 356 36 36 ARG HD2 H 3.238 0.030 1 357 36 36 ARG HD3 H 3.238 0.030 1 358 36 36 ARG HE H 7.037 0.030 1 359 36 36 ARG HG2 H 0.954 0.030 2 360 36 36 ARG HG3 H 1.503 0.030 2 361 36 36 ARG C C 173.745 0.300 1 362 36 36 ARG CA C 52.130 0.300 1 363 36 36 ARG CB C 35.555 0.300 1 364 36 36 ARG CD C 42.752 0.300 1 365 36 36 ARG CG C 26.357 0.300 1 366 36 36 ARG N N 126.972 0.300 1 367 36 36 ARG NE N 85.169 0.300 1 368 37 37 LYS H H 8.962 0.030 1 369 37 37 LYS HA H 4.944 0.030 1 370 37 37 LYS HB2 H 1.691 0.030 2 371 37 37 LYS HB3 H 1.473 0.030 2 372 37 37 LYS HD2 H 1.622 0.030 2 373 37 37 LYS HD3 H 1.557 0.030 2 374 37 37 LYS HE2 H 2.931 0.030 1 375 37 37 LYS HE3 H 2.931 0.030 1 376 37 37 LYS HG2 H 1.366 0.030 2 377 37 37 LYS HG3 H 1.305 0.030 2 378 37 37 LYS C C 176.806 0.300 1 379 37 37 LYS CA C 54.514 0.300 1 380 37 37 LYS CB C 34.188 0.300 1 381 37 37 LYS CD C 29.395 0.300 1 382 37 37 LYS CE C 41.982 0.300 1 383 37 37 LYS CG C 25.247 0.300 1 384 37 37 LYS N N 119.964 0.300 1 385 38 38 VAL H H 7.860 0.030 1 386 38 38 VAL HA H 3.151 0.030 1 387 38 38 VAL HB H 1.865 0.030 1 388 38 38 VAL HG1 H 0.907 0.030 1 389 38 38 VAL HG2 H 0.996 0.030 1 390 38 38 VAL C C 176.977 0.300 1 391 38 38 VAL CA C 64.408 0.300 1 392 38 38 VAL CB C 32.315 0.300 1 393 38 38 VAL CG1 C 23.030 0.300 2 394 38 38 VAL CG2 C 21.295 0.300 2 395 38 38 VAL N N 119.423 0.300 1 396 39 39 GLY H H 9.245 0.030 1 397 39 39 GLY HA2 H 4.467 0.030 2 398 39 39 GLY HA3 H 3.405 0.030 2 399 39 39 GLY C C 174.479 0.300 1 400 39 39 GLY CA C 44.924 0.300 1 401 39 39 GLY N N 114.620 0.300 1 402 40 40 GLU H H 8.081 0.030 1 403 40 40 GLU HA H 4.456 0.030 1 404 40 40 GLU HB2 H 2.343 0.030 2 405 40 40 GLU HB3 H 2.083 0.030 2 406 40 40 GLU HG2 H 2.343 0.030 2 407 40 40 GLU HG3 H 2.222 0.030 2 408 40 40 GLU C C 175.668 0.300 1 409 40 40 GLU CA C 56.196 0.300 1 410 40 40 GLU CB C 31.190 0.300 1 411 40 40 GLU CG C 38.337 0.300 1 412 40 40 GLU N N 120.106 0.300 1 413 41 41 GLN H H 8.518 0.030 1 414 41 41 GLN HA H 4.421 0.030 1 415 41 41 GLN HB2 H 1.987 0.030 1 416 41 41 GLN HB3 H 1.987 0.030 1 417 41 41 GLN HE21 H 7.039 0.030 2 418 41 41 GLN HE22 H 7.726 0.030 2 419 41 41 GLN HG2 H 2.527 0.030 2 420 41 41 GLN HG3 H 2.583 0.030 2 421 41 41 GLN C C 177.397 0.300 1 422 41 41 GLN CA C 55.900 0.300 1 423 41 41 GLN CB C 29.857 0.300 1 424 41 41 GLN CG C 34.337 0.300 1 425 41 41 GLN N N 118.162 0.300 1 426 41 41 GLN NE2 N 110.887 0.300 1 427 42 42 LEU H H 8.737 0.030 1 428 42 42 LEU HA H 4.863 0.030 1 429 42 42 LEU HB2 H 1.836 0.030 2 430 42 42 LEU HB3 H 1.269 0.030 2 431 42 42 LEU HD1 H 0.836 0.030 1 432 42 42 LEU HD2 H 0.799 0.030 1 433 42 42 LEU HG H 1.600 0.030 1 434 42 42 LEU C C 174.172 0.300 1 435 42 42 LEU CA C 53.565 0.300 1 436 42 42 LEU CB C 42.376 0.300 1 437 42 42 LEU CD1 C 24.668 0.300 2 438 42 42 LEU CD2 C 24.107 0.300 2 439 42 42 LEU CG C 26.857 0.300 1 440 42 42 LEU N N 121.089 0.300 1 441 43 43 ASN H H 8.405 0.030 1 442 43 43 ASN HA H 5.690 0.030 1 443 43 43 ASN HB2 H 2.969 0.030 2 444 43 43 ASN HB3 H 2.555 0.030 2 445 43 43 ASN HD21 H 7.269 0.030 2 446 43 43 ASN HD22 H 6.457 0.030 2 447 43 43 ASN C C 173.285 0.300 1 448 43 43 ASN CA C 52.547 0.300 1 449 43 43 ASN CB C 40.857 0.300 1 450 43 43 ASN N N 121.527 0.300 1 451 43 43 ASN ND2 N 109.116 0.300 1 452 44 44 LEU H H 9.366 0.030 1 453 44 44 LEU HA H 4.624 0.030 1 454 44 44 LEU HB2 H 1.870 0.030 2 455 44 44 LEU HB3 H 1.131 0.030 2 456 44 44 LEU HD1 H 0.122 0.030 1 457 44 44 LEU HD2 H 0.229 0.030 1 458 44 44 LEU HG H 1.230 0.030 1 459 44 44 LEU C C 174.039 0.300 1 460 44 44 LEU CA C 53.859 0.300 1 461 44 44 LEU CB C 43.405 0.300 1 462 44 44 LEU CD1 C 24.989 0.300 2 463 44 44 LEU CD2 C 24.158 0.300 2 464 44 44 LEU CG C 27.217 0.300 1 465 44 44 LEU N N 125.901 0.300 1 466 45 45 VAL H H 8.321 0.030 1 467 45 45 VAL HA H 4.654 0.030 1 468 45 45 VAL HB H 2.090 0.030 1 469 45 45 VAL HG1 H 0.841 0.030 1 470 45 45 VAL HG2 H 0.970 0.030 1 471 45 45 VAL C C 175.722 0.300 1 472 45 45 VAL CA C 61.755 0.300 1 473 45 45 VAL CB C 32.622 0.300 1 474 45 45 VAL CG1 C 20.872 0.300 2 475 45 45 VAL CG2 C 20.527 0.300 2 476 45 45 VAL N N 123.666 0.300 1 477 46 46 VAL H H 9.308 0.030 1 478 46 46 VAL HA H 4.640 0.030 1 479 46 46 VAL HB H 2.205 0.030 1 480 46 46 VAL HG1 H 0.777 0.030 1 481 46 46 VAL HG2 H 0.778 0.030 1 482 46 46 VAL C C 173.378 0.300 1 483 46 46 VAL CA C 59.524 0.300 1 484 46 46 VAL CB C 33.811 0.300 1 485 46 46 VAL CG1 C 23.157 0.300 2 486 46 46 VAL CG2 C 20.356 0.300 2 487 46 46 VAL N N 127.606 0.300 1 488 47 47 PRO HA H 4.928 0.030 1 489 47 47 PRO HB2 H 2.517 0.030 2 490 47 47 PRO HB3 H 1.959 0.030 2 491 47 47 PRO HD2 H 4.023 0.030 2 492 47 47 PRO HD3 H 4.122 0.030 2 493 47 47 PRO HG2 H 2.274 0.030 2 494 47 47 PRO HG3 H 2.009 0.030 2 495 47 47 PRO C C 174.956 0.300 1 496 47 47 PRO CA C 61.348 0.300 1 497 47 47 PRO CB C 33.357 0.300 1 498 47 47 PRO CD C 51.264 0.300 1 499 47 47 PRO CG C 27.543 0.300 1 500 48 48 PHE H H 7.482 0.030 1 501 48 48 PHE HA H 5.218 0.030 1 502 48 48 PHE HB2 H 3.058 0.030 2 503 48 48 PHE HB3 H 2.689 0.030 2 504 48 48 PHE HD1 H 6.703 0.030 1 505 48 48 PHE HD2 H 6.703 0.030 1 506 48 48 PHE HE1 H 6.910 0.030 1 507 48 48 PHE HE2 H 6.910 0.030 1 508 48 48 PHE HZ H 7.277 0.030 1 509 48 48 PHE C C 173.546 0.300 1 510 48 48 PHE CA C 55.696 0.300 1 511 48 48 PHE CB C 41.937 0.300 1 512 48 48 PHE CD1 C 131.326 0.300 1 513 48 48 PHE CD2 C 131.326 0.300 1 514 48 48 PHE CE1 C 130.186 0.300 1 515 48 48 PHE CE2 C 130.186 0.300 1 516 48 48 PHE CZ C 130.270 0.300 1 517 48 48 PHE N N 113.424 0.300 1 518 49 49 GLN H H 9.092 0.030 1 519 49 49 GLN HA H 4.769 0.030 1 520 49 49 GLN HB2 H 2.090 0.030 2 521 49 49 GLN HB3 H 2.000 0.030 2 522 49 49 GLN HE21 H 7.894 0.030 2 523 49 49 GLN HE22 H 6.950 0.030 2 524 49 49 GLN HG2 H 2.422 0.030 2 525 49 49 GLN HG3 H 2.304 0.030 2 526 49 49 GLN C C 175.103 0.300 1 527 49 49 GLN CA C 53.608 0.300 1 528 49 49 GLN CB C 32.264 0.300 1 529 49 49 GLN CG C 34.575 0.300 1 530 49 49 GLN N N 117.922 0.300 1 531 49 49 GLN NE2 N 112.861 0.300 1 532 50 50 GLY H H 8.825 0.030 1 533 50 50 GLY HA2 H 3.975 0.030 2 534 50 50 GLY HA3 H 3.562 0.030 2 535 50 50 GLY C C 171.833 0.300 1 536 50 50 GLY CA C 45.819 0.300 1 537 50 50 GLY N N 110.815 0.300 1 538 51 51 LYS H H 8.737 0.030 1 539 51 51 LYS HA H 4.413 0.030 1 540 51 51 LYS HB2 H 1.682 0.030 2 541 51 51 LYS HB3 H 1.819 0.030 2 542 51 51 LYS HD2 H 1.594 0.030 2 543 51 51 LYS HD3 H 1.702 0.030 2 544 51 51 LYS HE2 H 3.003 0.030 1 545 51 51 LYS HE3 H 3.003 0.030 1 546 51 51 LYS HG2 H 1.486 0.030 2 547 51 51 LYS HG3 H 1.430 0.030 2 548 51 51 LYS C C 173.677 0.300 1 549 51 51 LYS CA C 54.732 0.300 1 550 51 51 LYS CB C 36.399 0.300 1 551 51 51 LYS CD C 29.482 0.300 1 552 51 51 LYS CE C 42.156 0.300 1 553 51 51 LYS CG C 24.732 0.300 1 554 51 51 LYS N N 127.933 0.300 1 555 52 52 PRO HA H 4.602 0.030 1 556 52 52 PRO HB2 H 2.400 0.030 2 557 52 52 PRO HB3 H 2.155 0.030 2 558 52 52 PRO HD2 H 3.557 0.030 1 559 52 52 PRO HD3 H 3.557 0.030 1 560 52 52 PRO HG2 H 1.936 0.030 2 561 52 52 PRO HG3 H 1.764 0.030 2 562 52 52 PRO C C 176.375 0.300 1 563 52 52 PRO CA C 62.357 0.300 1 564 52 52 PRO CB C 34.607 0.300 1 565 52 52 PRO CD C 50.189 0.300 1 566 52 52 PRO CG C 24.784 0.300 1 567 53 53 ARG H H 8.196 0.030 1 568 53 53 ARG HA H 4.339 0.030 1 569 53 53 ARG HB2 H 1.922 0.030 2 570 53 53 ARG HB3 H 1.734 0.030 2 571 53 53 ARG HD2 H 3.261 0.030 2 572 53 53 ARG HD3 H 3.215 0.030 2 573 53 53 ARG HG2 H 1.767 0.030 1 574 53 53 ARG HG3 H 1.767 0.030 1 575 53 53 ARG C C 175.648 0.300 1 576 53 53 ARG CA C 55.232 0.300 1 577 53 53 ARG CB C 30.232 0.300 1 578 53 53 ARG CD C 43.774 0.300 1 579 53 53 ARG CG C 26.607 0.300 1 580 53 53 ARG N N 115.482 0.300 1 581 54 54 PRO HA H 4.433 0.030 1 582 54 54 PRO HB2 H 1.368 0.030 2 583 54 54 PRO HB3 H 1.674 0.030 2 584 54 54 PRO HD2 H 3.604 0.030 2 585 54 54 PRO HD3 H 3.763 0.030 2 586 54 54 PRO HG2 H 1.528 0.030 2 587 54 54 PRO HG3 H 1.582 0.030 2 588 54 54 PRO C C 173.686 0.300 1 589 54 54 PRO CA C 62.268 0.300 1 590 54 54 PRO CB C 33.012 0.300 1 591 54 54 PRO CD C 51.529 0.300 1 592 54 54 PRO CG C 26.909 0.300 1 593 55 55 GLN H H 8.740 0.030 1 594 55 55 GLN HA H 4.447 0.030 1 595 55 55 GLN HB2 H 1.957 0.030 1 596 55 55 GLN HB3 H 1.957 0.030 1 597 55 55 GLN HE21 H 7.467 0.030 2 598 55 55 GLN HE22 H 6.827 0.030 2 599 55 55 GLN HG2 H 2.347 0.030 2 600 55 55 GLN HG3 H 2.276 0.030 2 601 55 55 GLN C C 175.658 0.300 1 602 55 55 GLN CA C 55.252 0.300 1 603 55 55 GLN CB C 29.833 0.300 1 604 55 55 GLN CG C 33.857 0.300 1 605 55 55 GLN N N 119.474 0.300 1 606 55 55 GLN NE2 N 112.235 0.300 1 607 56 56 VAL H H 8.625 0.030 1 608 56 56 VAL HA H 4.754 0.030 1 609 56 56 VAL HB H 1.901 0.030 1 610 56 56 VAL HG1 H 0.661 0.030 1 611 56 56 VAL HG2 H 0.416 0.030 1 612 56 56 VAL C C 175.617 0.300 1 613 56 56 VAL CA C 61.629 0.300 1 614 56 56 VAL CB C 33.185 0.300 1 615 56 56 VAL CG1 C 21.029 0.300 2 616 56 56 VAL CG2 C 21.452 0.300 2 617 56 56 VAL N N 129.027 0.300 1 618 57 57 VAL H H 8.791 0.030 1 619 57 57 VAL HA H 4.456 0.030 1 620 57 57 VAL HB H 1.875 0.030 1 621 57 57 VAL HG1 H 0.923 0.030 1 622 57 57 VAL HG2 H 0.841 0.030 1 623 57 57 VAL C C 174.811 0.300 1 624 57 57 VAL CA C 61.743 0.300 1 625 57 57 VAL CB C 35.870 0.300 1 626 57 57 VAL CG1 C 21.270 0.300 2 627 57 57 VAL CG2 C 21.107 0.300 2 628 57 57 VAL N N 129.065 0.300 1 629 58 58 TRP H H 8.945 0.030 1 630 58 58 TRP HA H 5.744 0.030 1 631 58 58 TRP HB2 H 3.207 0.030 1 632 58 58 TRP HB3 H 3.207 0.030 1 633 58 58 TRP HD1 H 7.118 0.030 1 634 58 58 TRP HE1 H 9.877 0.030 1 635 58 58 TRP HE3 H 7.477 0.030 1 636 58 58 TRP HH2 H 6.553 0.030 1 637 58 58 TRP HZ2 H 7.152 0.030 1 638 58 58 TRP HZ3 H 6.390 0.030 1 639 58 58 TRP C C 176.083 0.300 1 640 58 58 TRP CA C 56.059 0.300 1 641 58 58 TRP CB C 32.813 0.300 1 642 58 58 TRP CD1 C 127.125 0.300 1 643 58 58 TRP CE3 C 119.635 0.300 1 644 58 58 TRP CH2 C 123.020 0.300 1 645 58 58 TRP CZ2 C 113.759 0.300 1 646 58 58 TRP CZ3 C 120.802 0.300 1 647 58 58 TRP N N 129.869 0.300 1 648 58 58 TRP NE1 N 128.519 0.300 1 649 59 59 THR H H 9.562 0.030 1 650 59 59 THR HA H 4.791 0.030 1 651 59 59 THR HB H 4.011 0.030 1 652 59 59 THR HG2 H 0.945 0.030 1 653 59 59 THR C C 173.588 0.300 1 654 59 59 THR CA C 60.034 0.300 1 655 59 59 THR CB C 73.555 0.300 1 656 59 59 THR CG2 C 22.222 0.300 1 657 59 59 THR N N 112.232 0.300 1 658 60 60 LYS H H 9.135 0.030 1 659 60 60 LYS HA H 4.735 0.030 1 660 60 60 LYS HB2 H 1.818 0.030 2 661 60 60 LYS HB3 H 1.375 0.030 2 662 60 60 LYS HD2 H 1.499 0.030 2 663 60 60 LYS HD3 H 1.470 0.030 2 664 60 60 LYS HE2 H 2.619 0.030 2 665 60 60 LYS HE3 H 2.746 0.030 2 666 60 60 LYS HG2 H 0.816 0.030 2 667 60 60 LYS HG3 H -0.040 0.030 2 668 60 60 LYS C C 177.651 0.300 1 669 60 60 LYS CA C 55.454 0.300 1 670 60 60 LYS CB C 34.819 0.300 1 671 60 60 LYS CD C 29.420 0.300 1 672 60 60 LYS CE C 43.329 0.300 1 673 60 60 LYS CG C 25.279 0.300 1 674 60 60 LYS N N 120.349 0.300 1 675 61 61 GLY H H 9.335 0.030 1 676 61 61 GLY HA2 H 3.974 0.030 2 677 61 61 GLY HA3 H 3.812 0.030 2 678 61 61 GLY C C 176.523 0.300 1 679 61 61 GLY CA C 47.516 0.300 1 680 61 61 GLY N N 124.536 0.300 1 681 62 62 GLY H H 9.720 0.030 1 682 62 62 GLY HA2 H 4.185 0.030 2 683 62 62 GLY HA3 H 3.490 0.030 2 684 62 62 GLY C C 172.822 0.300 1 685 62 62 GLY CA C 44.712 0.300 1 686 62 62 GLY N N 107.299 0.300 1 687 63 63 ALA H H 7.850 0.030 1 688 63 63 ALA HA H 4.928 0.030 1 689 63 63 ALA HB H 1.507 0.030 1 690 63 63 ALA C C 173.975 0.300 1 691 63 63 ALA CA C 49.506 0.300 1 692 63 63 ALA CB C 19.232 0.300 1 693 63 63 ALA N N 125.419 0.300 1 694 64 64 PRO HA H 4.630 0.030 1 695 64 64 PRO HB2 H 1.922 0.030 2 696 64 64 PRO HB3 H 2.484 0.030 2 697 64 64 PRO HD2 H 3.914 0.030 2 698 64 64 PRO HD3 H 3.637 0.030 2 699 64 64 PRO HG2 H 2.130 0.030 2 700 64 64 PRO HG3 H 2.040 0.030 2 701 64 64 PRO C C 177.283 0.300 1 702 64 64 PRO CA C 62.586 0.300 1 703 64 64 PRO CB C 32.300 0.300 1 704 64 64 PRO CD C 50.468 0.300 1 705 64 64 PRO CG C 27.784 0.300 1 706 65 65 LEU H H 8.491 0.030 1 707 65 65 LEU HA H 4.240 0.030 1 708 65 65 LEU HB2 H 1.681 0.030 2 709 65 65 LEU HB3 H 1.244 0.030 2 710 65 65 LEU HD1 H 0.846 0.030 1 711 65 65 LEU HD2 H 0.992 0.030 1 712 65 65 LEU HG H 1.805 0.030 1 713 65 65 LEU C C 177.094 0.300 1 714 65 65 LEU CA C 54.274 0.300 1 715 65 65 LEU CB C 42.930 0.300 1 716 65 65 LEU CD1 C 26.253 0.300 2 717 65 65 LEU CD2 C 23.474 0.300 2 718 65 65 LEU CG C 26.482 0.300 1 719 65 65 LEU N N 120.992 0.300 1 720 66 66 ASP H H 8.804 0.030 1 721 66 66 ASP HA H 4.786 0.030 1 722 66 66 ASP HB2 H 3.005 0.030 2 723 66 66 ASP HB3 H 2.719 0.030 2 724 66 66 ASP C C 177.351 0.300 1 725 66 66 ASP CA C 52.795 0.300 1 726 66 66 ASP CB C 39.346 0.300 1 727 66 66 ASP N N 120.315 0.300 1 728 67 67 THR H H 8.166 0.030 1 729 67 67 THR HA H 4.533 0.030 1 730 67 67 THR HB H 4.597 0.030 1 731 67 67 THR HG2 H 1.345 0.030 1 732 67 67 THR C C 175.300 0.300 1 733 67 67 THR CA C 63.154 0.300 1 734 67 67 THR CB C 68.258 0.300 1 735 67 67 THR CG2 C 22.014 0.300 1 736 67 67 THR N N 118.115 0.300 1 737 68 68 SER H H 8.485 0.030 1 738 68 68 SER HA H 4.442 0.030 1 739 68 68 SER HB2 H 3.989 0.030 2 740 68 68 SER HB3 H 3.928 0.030 2 741 68 68 SER C C 174.968 0.300 1 742 68 68 SER CA C 60.434 0.300 1 743 68 68 SER CB C 63.107 0.300 1 744 68 68 SER N N 117.266 0.300 1 745 69 69 ARG H H 7.242 0.030 1 746 69 69 ARG HA H 4.415 0.030 1 747 69 69 ARG HB2 H 1.757 0.030 2 748 69 69 ARG HB3 H 1.647 0.030 2 749 69 69 ARG HD2 H 3.148 0.030 1 750 69 69 ARG HD3 H 3.148 0.030 1 751 69 69 ARG HE H 7.796 0.030 1 752 69 69 ARG HG2 H 1.552 0.030 2 753 69 69 ARG HG3 H 1.450 0.030 2 754 69 69 ARG C C 174.099 0.300 1 755 69 69 ARG CA C 56.680 0.300 1 756 69 69 ARG CB C 32.732 0.300 1 757 69 69 ARG CD C 42.229 0.300 1 758 69 69 ARG CG C 27.607 0.300 1 759 69 69 ARG N N 119.627 0.300 1 760 69 69 ARG NE N 81.877 0.300 1 761 70 70 VAL H H 7.980 0.030 1 762 70 70 VAL HA H 3.855 0.030 1 763 70 70 VAL HB H 1.455 0.030 1 764 70 70 VAL HG1 H -0.345 0.030 1 765 70 70 VAL HG2 H 0.579 0.030 1 766 70 70 VAL C C 174.590 0.300 1 767 70 70 VAL CA C 61.149 0.300 1 768 70 70 VAL CB C 31.827 0.300 1 769 70 70 VAL CG1 C 21.119 0.300 2 770 70 70 VAL CG2 C 19.774 0.300 2 771 70 70 VAL N N 119.758 0.300 1 772 71 71 HIS H H 8.715 0.030 1 773 71 71 HIS HA H 4.679 0.030 1 774 71 71 HIS HB2 H 3.121 0.030 2 775 71 71 HIS HB3 H 3.063 0.030 2 776 71 71 HIS HD2 H 6.838 0.030 1 777 71 71 HIS HE1 H 7.720 0.030 1 778 71 71 HIS C C 174.320 0.300 1 779 71 71 HIS CA C 54.618 0.300 1 780 71 71 HIS CB C 31.732 0.300 1 781 71 71 HIS CD2 C 120.283 0.300 1 782 71 71 HIS CE1 C 137.982 0.300 1 783 71 71 HIS N N 127.005 0.300 1 784 72 72 VAL H H 8.167 0.030 1 785 72 72 VAL HA H 5.235 0.030 1 786 72 72 VAL HB H 1.768 0.030 1 787 72 72 VAL HG1 H 0.789 0.030 1 788 72 72 VAL HG2 H 0.445 0.030 1 789 72 72 VAL C C 176.404 0.300 1 790 72 72 VAL CA C 59.964 0.300 1 791 72 72 VAL CB C 34.113 0.300 1 792 72 72 VAL CG1 C 21.409 0.300 2 793 72 72 VAL CG2 C 20.764 0.300 2 794 72 72 VAL N N 125.329 0.300 1 795 73 73 ARG H H 8.750 0.030 1 796 73 73 ARG HA H 4.787 0.030 1 797 73 73 ARG HB2 H 1.783 0.030 2 798 73 73 ARG HB3 H 1.672 0.030 2 799 73 73 ARG HD2 H 3.142 0.030 1 800 73 73 ARG HD3 H 3.142 0.030 1 801 73 73 ARG HG2 H 1.570 0.030 2 802 73 73 ARG HG3 H 1.528 0.030 2 803 73 73 ARG C C 175.535 0.300 1 804 73 73 ARG CA C 54.805 0.300 1 805 73 73 ARG CB C 32.920 0.300 1 806 73 73 ARG CD C 43.521 0.300 1 807 73 73 ARG CG C 27.107 0.300 1 808 73 73 ARG N N 127.166 0.300 1 809 74 74 THR H H 9.230 0.030 1 810 74 74 THR HA H 5.171 0.030 1 811 74 74 THR HB H 4.097 0.030 1 812 74 74 THR HG2 H 1.581 0.030 1 813 74 74 THR C C 173.147 0.300 1 814 74 74 THR CA C 62.434 0.300 1 815 74 74 THR CB C 70.889 0.300 1 816 74 74 THR CG2 C 23.709 0.300 1 817 74 74 THR N N 126.132 0.300 1 818 75 75 SER H H 9.562 0.030 1 819 75 75 SER HA H 4.873 0.030 1 820 75 75 SER HB2 H 4.193 0.030 2 821 75 75 SER HB3 H 3.827 0.030 2 822 75 75 SER C C 173.054 0.300 1 823 75 75 SER CA C 57.045 0.300 1 824 75 75 SER CB C 65.732 0.300 1 825 75 75 SER N N 128.180 0.300 1 826 76 76 ASP H H 8.228 0.030 1 827 76 76 ASP HA H 4.509 0.030 1 828 76 76 ASP HB2 H 2.430 0.030 2 829 76 76 ASP HB3 H 2.227 0.030 2 830 76 76 ASP C C 175.920 0.300 1 831 76 76 ASP CA C 56.089 0.300 1 832 76 76 ASP CB C 40.607 0.300 1 833 76 76 ASP N N 114.478 0.300 1 834 77 77 PHE H H 7.940 0.030 1 835 77 77 PHE HA H 4.334 0.030 1 836 77 77 PHE HB2 H 2.991 0.030 2 837 77 77 PHE HB3 H 2.855 0.030 2 838 77 77 PHE HD1 H 7.108 0.030 1 839 77 77 PHE HD2 H 7.108 0.030 1 840 77 77 PHE HE1 H 7.338 0.030 1 841 77 77 PHE HE2 H 7.338 0.030 1 842 77 77 PHE HZ H 7.283 0.030 1 843 77 77 PHE C C 173.233 0.300 1 844 77 77 PHE CA C 56.349 0.300 1 845 77 77 PHE CB C 41.293 0.300 1 846 77 77 PHE CD1 C 131.982 0.300 1 847 77 77 PHE CD2 C 131.982 0.300 1 848 77 77 PHE CE1 C 131.262 0.300 1 849 77 77 PHE CE2 C 131.262 0.300 1 850 77 77 PHE CZ C 129.490 0.300 1 851 77 77 PHE N N 114.092 0.300 1 852 78 78 ASP H H 7.420 0.030 1 853 78 78 ASP HA H 4.572 0.030 1 854 78 78 ASP HB2 H 2.771 0.030 2 855 78 78 ASP HB3 H 2.229 0.030 2 856 78 78 ASP C C 173.123 0.300 1 857 78 78 ASP CA C 53.024 0.300 1 858 78 78 ASP CB C 41.851 0.300 1 859 78 78 ASP N N 117.949 0.300 1 860 79 79 THR H H 8.349 0.030 1 861 79 79 THR HA H 5.400 0.030 1 862 79 79 THR HB H 4.389 0.030 1 863 79 79 THR HG2 H 1.555 0.030 1 864 79 79 THR C C 170.646 0.300 1 865 79 79 THR CA C 59.920 0.300 1 866 79 79 THR CB C 70.232 0.300 1 867 79 79 THR CG2 C 19.264 0.300 1 868 79 79 THR N N 113.752 0.300 1 869 80 80 VAL H H 8.716 0.030 1 870 80 80 VAL HA H 5.255 0.030 1 871 80 80 VAL HB H 1.977 0.030 1 872 80 80 VAL HG1 H 0.985 0.030 1 873 80 80 VAL HG2 H 0.910 0.030 1 874 80 80 VAL C C 173.559 0.300 1 875 80 80 VAL CA C 60.717 0.300 1 876 80 80 VAL CB C 34.934 0.300 1 877 80 80 VAL CG1 C 21.768 0.300 2 878 80 80 VAL CG2 C 21.034 0.300 2 879 80 80 VAL N N 129.136 0.300 1 880 81 81 PHE H H 8.945 0.030 1 881 81 81 PHE HA H 4.300 0.030 1 882 81 81 PHE HB2 H 1.442 0.030 2 883 81 81 PHE HB3 H 2.645 0.030 2 884 81 81 PHE HD1 H 5.789 0.030 1 885 81 81 PHE HD2 H 5.789 0.030 1 886 81 81 PHE HE1 H 6.434 0.030 1 887 81 81 PHE HE2 H 6.434 0.030 1 888 81 81 PHE HZ H 6.221 0.030 1 889 81 81 PHE C C 173.797 0.300 1 890 81 81 PHE CA C 55.670 0.300 1 891 81 81 PHE CB C 41.714 0.300 1 892 81 81 PHE CD1 C 130.385 0.300 1 893 81 81 PHE CD2 C 130.385 0.300 1 894 81 81 PHE CE1 C 130.000 0.300 1 895 81 81 PHE CE2 C 130.000 0.300 1 896 81 81 PHE CZ C 128.446 0.300 1 897 81 81 PHE N N 130.664 0.300 1 898 82 82 PHE H H 8.367 0.030 1 899 82 82 PHE HA H 5.815 0.030 1 900 82 82 PHE HB2 H 2.967 0.030 2 901 82 82 PHE HB3 H 2.909 0.030 2 902 82 82 PHE HD1 H 7.186 0.030 1 903 82 82 PHE HD2 H 7.186 0.030 1 904 82 82 PHE HE1 H 7.135 0.030 1 905 82 82 PHE HE2 H 7.135 0.030 1 906 82 82 PHE HZ H 7.111 0.030 1 907 82 82 PHE C C 173.414 0.300 1 908 82 82 PHE CA C 56.097 0.300 1 909 82 82 PHE CB C 43.159 0.300 1 910 82 82 PHE CD1 C 131.862 0.300 1 911 82 82 PHE CD2 C 131.862 0.300 1 912 82 82 PHE CE1 C 130.464 0.300 1 913 82 82 PHE CE2 C 130.464 0.300 1 914 82 82 PHE CZ C 128.742 0.300 1 915 82 82 PHE N N 128.990 0.300 1 916 83 83 VAL H H 8.375 0.030 1 917 83 83 VAL HA H 3.894 0.030 1 918 83 83 VAL HB H 1.529 0.030 1 919 83 83 VAL HG1 H 0.639 0.030 1 920 83 83 VAL HG2 H 0.671 0.030 1 921 83 83 VAL C C 174.629 0.300 1 922 83 83 VAL CA C 60.597 0.300 1 923 83 83 VAL CB C 35.575 0.300 1 924 83 83 VAL CG1 C 23.022 0.300 2 925 83 83 VAL CG2 C 20.486 0.300 2 926 83 83 VAL N N 127.995 0.300 1 927 84 84 ARG H H 8.394 0.030 1 928 84 84 ARG HA H 3.518 0.030 1 929 84 84 ARG HB2 H 1.789 0.030 1 930 84 84 ARG HB3 H 1.789 0.030 1 931 84 84 ARG HD2 H 3.311 0.030 1 932 84 84 ARG HD3 H 3.311 0.030 1 933 84 84 ARG HE H 7.125 0.030 1 934 84 84 ARG HG2 H 1.612 0.030 2 935 84 84 ARG HG3 H 1.706 0.030 2 936 84 84 ARG C C 175.570 0.300 1 937 84 84 ARG CA C 59.952 0.300 1 938 84 84 ARG CB C 30.212 0.300 1 939 84 84 ARG CD C 43.148 0.300 1 940 84 84 ARG CG C 27.982 0.300 1 941 84 84 ARG N N 126.313 0.300 1 942 85 85 GLN H H 7.806 0.030 1 943 85 85 GLN HA H 4.050 0.030 1 944 85 85 GLN HB2 H 1.901 0.030 2 945 85 85 GLN HB3 H 1.727 0.030 2 946 85 85 GLN HE21 H 6.887 0.030 2 947 85 85 GLN HE22 H 7.666 0.030 2 948 85 85 GLN HG2 H 2.109 0.030 2 949 85 85 GLN HG3 H 2.298 0.030 2 950 85 85 GLN C C 173.819 0.300 1 951 85 85 GLN CA C 53.954 0.300 1 952 85 85 GLN CB C 31.380 0.300 1 953 85 85 GLN CG C 34.180 0.300 1 954 85 85 GLN N N 115.124 0.300 1 955 85 85 GLN NE2 N 112.312 0.300 1 956 86 86 ALA H H 9.083 0.030 1 957 86 86 ALA HA H 4.039 0.030 1 958 86 86 ALA HB H 1.334 0.030 1 959 86 86 ALA C C 176.965 0.300 1 960 86 86 ALA CA C 52.920 0.300 1 961 86 86 ALA CB C 19.232 0.300 1 962 86 86 ALA N N 126.142 0.300 1 963 87 87 ALA H H 9.665 0.030 1 964 87 87 ALA HA H 4.789 0.030 1 965 87 87 ALA HB H 1.393 0.030 1 966 87 87 ALA C C 177.932 0.300 1 967 87 87 ALA CA C 49.834 0.300 1 968 87 87 ALA CB C 22.108 0.300 1 969 87 87 ALA N N 127.304 0.300 1 970 88 88 ARG H H 9.390 0.030 1 971 88 88 ARG HA H 3.883 0.030 1 972 88 88 ARG HB2 H 1.918 0.030 2 973 88 88 ARG HB3 H 1.812 0.030 2 974 88 88 ARG HD2 H 3.200 0.030 1 975 88 88 ARG HD3 H 3.200 0.030 1 976 88 88 ARG HG2 H 1.575 0.030 2 977 88 88 ARG HG3 H 1.816 0.030 2 978 88 88 ARG C C 179.558 0.300 1 979 88 88 ARG CA C 60.081 0.300 1 980 88 88 ARG CB C 29.066 0.300 1 981 88 88 ARG CD C 42.883 0.300 1 982 88 88 ARG CG C 27.450 0.300 1 983 88 88 ARG N N 122.805 0.300 1 984 89 89 SER H H 7.578 0.030 1 985 89 89 SER HA H 4.279 0.030 1 986 89 89 SER HB2 H 3.835 0.030 2 987 89 89 SER HB3 H 4.104 0.030 2 988 89 89 SER C C 174.971 0.300 1 989 89 89 SER CA C 60.024 0.300 1 990 89 89 SER CB C 62.332 0.300 1 991 90 90 ASP H H 8.160 0.030 1 992 90 90 ASP HA H 4.660 0.030 1 993 90 90 ASP HB2 H 2.935 0.030 2 994 90 90 ASP HB3 H 2.613 0.030 2 995 90 90 ASP C C 177.775 0.300 1 996 90 90 ASP CA C 56.099 0.300 1 997 90 90 ASP CB C 41.534 0.300 1 998 90 90 ASP N N 119.489 0.300 1 999 91 91 SER H H 7.971 0.030 1 1000 91 91 SER HA H 4.316 0.030 1 1001 91 91 SER HB2 H 4.066 0.030 2 1002 91 91 SER HB3 H 4.209 0.030 2 1003 91 91 SER C C 172.806 0.300 1 1004 91 91 SER CA C 60.309 0.300 1 1005 91 91 SER CB C 64.458 0.300 1 1006 91 91 SER N N 116.312 0.300 1 1007 92 92 GLY H H 9.311 0.030 1 1008 92 92 GLY HA2 H 4.343 0.030 2 1009 92 92 GLY HA3 H 3.905 0.030 2 1010 92 92 GLY C C 170.899 0.300 1 1011 92 92 GLY CA C 44.503 0.300 1 1012 92 92 GLY N N 110.892 0.300 1 1013 93 93 GLU H H 7.975 0.030 1 1014 93 93 GLU HA H 5.023 0.030 1 1015 93 93 GLU HB2 H 1.909 0.030 1 1016 93 93 GLU HB3 H 1.909 0.030 1 1017 93 93 GLU HG2 H 2.247 0.030 2 1018 93 93 GLU HG3 H 2.129 0.030 2 1019 93 93 GLU C C 174.608 0.300 1 1020 93 93 GLU CA C 55.691 0.300 1 1021 93 93 GLU CB C 31.212 0.300 1 1022 93 93 GLU CG C 37.580 0.300 1 1023 93 93 GLU N N 119.593 0.300 1 1024 94 94 TYR H H 9.460 0.030 1 1025 94 94 TYR HA H 5.225 0.030 1 1026 94 94 TYR HB2 H 2.898 0.030 2 1027 94 94 TYR HB3 H 3.143 0.030 2 1028 94 94 TYR HD1 H 7.166 0.030 1 1029 94 94 TYR HD2 H 7.166 0.030 1 1030 94 94 TYR HE1 H 6.739 0.030 1 1031 94 94 TYR HE2 H 6.739 0.030 1 1032 94 94 TYR C C 174.816 0.300 1 1033 94 94 TYR CA C 56.722 0.300 1 1034 94 94 TYR CB C 40.430 0.300 1 1035 94 94 TYR CD1 C 133.115 0.300 1 1036 94 94 TYR CD2 C 133.115 0.300 1 1037 94 94 TYR CE1 C 117.060 0.300 1 1038 94 94 TYR CE2 C 117.060 0.300 1 1039 94 94 TYR N N 123.426 0.300 1 1040 95 95 GLU H H 8.932 0.030 1 1041 95 95 GLU HA H 5.176 0.030 1 1042 95 95 GLU HB2 H 1.933 0.030 2 1043 95 95 GLU HB3 H 1.796 0.030 2 1044 95 95 GLU HG2 H 2.079 0.030 2 1045 95 95 GLU HG3 H 1.965 0.030 2 1046 95 95 GLU C C 173.721 0.300 1 1047 95 95 GLU CA C 54.826 0.300 1 1048 95 95 GLU CB C 30.639 0.300 1 1049 95 95 GLU CG C 36.724 0.300 1 1050 95 95 GLU N N 120.337 0.300 1 1051 96 96 LEU H H 8.571 0.030 1 1052 96 96 LEU HA H 4.553 0.030 1 1053 96 96 LEU HB2 H 0.902 0.030 2 1054 96 96 LEU HB3 H -0.151 0.030 2 1055 96 96 LEU HD1 H 0.151 0.030 1 1056 96 96 LEU HD2 H -0.420 0.030 1 1057 96 96 LEU HG H 0.726 0.030 1 1058 96 96 LEU C C 174.430 0.300 1 1059 96 96 LEU CA C 52.329 0.300 1 1060 96 96 LEU CB C 44.004 0.300 1 1061 96 96 LEU CD1 C 26.369 0.300 2 1062 96 96 LEU CD2 C 21.444 0.300 2 1063 96 96 LEU CG C 26.824 0.300 1 1064 96 96 LEU N N 125.471 0.300 1 1065 97 97 SER H H 8.597 0.030 1 1066 97 97 SER HA H 5.234 0.030 1 1067 97 97 SER HB2 H 3.528 0.030 2 1068 97 97 SER HB3 H 3.612 0.030 2 1069 97 97 SER C C 172.920 0.300 1 1070 97 97 SER CA C 55.941 0.300 1 1071 97 97 SER CB C 65.483 0.300 1 1072 97 97 SER N N 119.176 0.300 1 1073 98 98 VAL H H 8.502 0.030 1 1074 98 98 VAL HA H 4.572 0.030 1 1075 98 98 VAL HB H 1.478 0.030 1 1076 98 98 VAL HG1 H 0.335 0.030 1 1077 98 98 VAL HG2 H 0.400 0.030 1 1078 98 98 VAL C C 174.215 0.300 1 1079 98 98 VAL CA C 60.607 0.300 1 1080 98 98 VAL CB C 34.091 0.300 1 1081 98 98 VAL CG1 C 21.378 0.300 2 1082 98 98 VAL CG2 C 20.454 0.300 2 1083 98 98 VAL N N 122.616 0.300 1 1084 99 99 GLN H H 8.678 0.030 1 1085 99 99 GLN HA H 5.342 0.030 1 1086 99 99 GLN HB2 H 1.842 0.030 1 1087 99 99 GLN HB3 H 1.842 0.030 1 1088 99 99 GLN HE21 H 7.553 0.030 2 1089 99 99 GLN HE22 H 6.674 0.030 2 1090 99 99 GLN HG2 H 2.161 0.030 2 1091 99 99 GLN HG3 H 2.236 0.030 2 1092 99 99 GLN C C 174.910 0.300 1 1093 99 99 GLN CA C 54.204 0.300 1 1094 99 99 GLN CB C 32.482 0.300 1 1095 99 99 GLN CG C 32.934 0.300 1 1096 99 99 GLN N N 125.381 0.300 1 1097 99 99 GLN NE2 N 109.860 0.300 1 1098 100 100 ILE H H 8.640 0.030 1 1099 100 100 ILE HA H 4.180 0.030 1 1100 100 100 ILE HB H 1.560 0.030 1 1101 100 100 ILE HD1 H 0.726 0.030 1 1102 100 100 ILE HG12 H 1.269 0.030 2 1103 100 100 ILE HG13 H 0.914 0.030 2 1104 100 100 ILE HG2 H 0.850 0.030 1 1105 100 100 ILE C C 174.542 0.300 1 1106 100 100 ILE CA C 60.753 0.300 1 1107 100 100 ILE CB C 41.309 0.300 1 1108 100 100 ILE CD1 C 14.580 0.300 1 1109 100 100 ILE CG1 C 27.369 0.300 1 1110 100 100 ILE CG2 C 17.461 0.300 1 1111 100 100 ILE N N 125.181 0.300 1 1112 101 101 GLU H H 9.200 0.030 1 1113 101 101 GLU HA H 3.707 0.030 1 1114 101 101 GLU HB2 H 2.131 0.030 2 1115 101 101 GLU HB3 H 2.193 0.030 2 1116 101 101 GLU HG2 H 2.350 0.030 2 1117 101 101 GLU HG3 H 2.243 0.030 2 1118 101 101 GLU C C 175.574 0.300 1 1119 101 101 GLU CA C 58.234 0.300 1 1120 101 101 GLU CB C 26.904 0.300 1 1121 101 101 GLU CG C 36.128 0.300 1 1122 101 101 GLU N N 124.445 0.300 1 1123 102 102 ASN H H 8.555 0.030 1 1124 102 102 ASN HA H 4.819 0.030 1 1125 102 102 ASN HB2 H 2.893 0.030 1 1126 102 102 ASN HB3 H 2.893 0.030 1 1127 102 102 ASN HD21 H 6.956 0.030 2 1128 102 102 ASN HD22 H 7.657 0.030 2 1129 102 102 ASN C C 174.843 0.300 1 1130 102 102 ASN CA C 53.565 0.300 1 1131 102 102 ASN CB C 38.139 0.300 1 1132 102 102 ASN N N 119.582 0.300 1 1133 102 102 ASN ND2 N 113.435 0.300 1 1134 103 103 MET H H 8.638 0.030 1 1135 103 103 MET HA H 4.648 0.030 1 1136 103 103 MET HB2 H 2.184 0.030 2 1137 103 103 MET HB3 H 1.981 0.030 2 1138 103 103 MET HE H 2.122 0.030 1 1139 103 103 MET HG2 H 2.520 0.030 2 1140 103 103 MET HG3 H 2.608 0.030 2 1141 103 103 MET C C 174.184 0.300 1 1142 103 103 MET CA C 55.253 0.300 1 1143 103 103 MET CB C 35.069 0.300 1 1144 103 103 MET CE C 17.357 0.300 1 1145 103 103 MET CG C 32.357 0.300 1 1146 103 103 MET N N 121.395 0.300 1 1147 104 104 LYS H H 8.643 0.030 1 1148 104 104 LYS HA H 5.298 0.030 1 1149 104 104 LYS HB2 H 1.605 0.030 2 1150 104 104 LYS HB3 H 1.495 0.030 2 1151 104 104 LYS HD2 H 1.467 0.030 1 1152 104 104 LYS HD3 H 1.467 0.030 1 1153 104 104 LYS HE2 H 2.757 0.030 1 1154 104 104 LYS HE3 H 2.757 0.030 1 1155 104 104 LYS HG2 H 1.120 0.030 1 1156 104 104 LYS HG3 H 1.120 0.030 1 1157 104 104 LYS C C 174.604 0.300 1 1158 104 104 LYS CA C 55.024 0.300 1 1159 104 104 LYS CB C 36.805 0.300 1 1160 104 104 LYS CD C 29.482 0.300 1 1161 104 104 LYS CE C 41.654 0.300 1 1162 104 104 LYS CG C 24.357 0.300 1 1163 104 104 LYS N N 122.011 0.300 1 1164 105 105 ASP H H 8.793 0.030 1 1165 105 105 ASP HA H 5.189 0.030 1 1166 105 105 ASP HB2 H 2.620 0.030 2 1167 105 105 ASP HB3 H 2.200 0.030 2 1168 105 105 ASP C C 174.456 0.300 1 1169 105 105 ASP CA C 53.243 0.300 1 1170 105 105 ASP CB C 45.107 0.300 1 1171 105 105 ASP N N 123.608 0.300 1 1172 106 106 THR H H 7.814 0.030 1 1173 106 106 THR HA H 5.497 0.030 1 1174 106 106 THR HB H 3.954 0.030 1 1175 106 106 THR HG2 H 1.006 0.030 1 1176 106 106 THR C C 173.073 0.300 1 1177 106 106 THR CA C 59.732 0.300 1 1178 106 106 THR CB C 72.232 0.300 1 1179 106 106 THR CG2 C 21.220 0.300 1 1180 106 106 THR N N 114.389 0.300 1 1181 107 107 ALA H H 8.939 0.030 1 1182 107 107 ALA HA H 4.687 0.030 1 1183 107 107 ALA HB H 1.266 0.030 1 1184 107 107 ALA C C 175.212 0.300 1 1185 107 107 ALA CA C 51.119 0.300 1 1186 107 107 ALA CB C 23.107 0.300 1 1187 107 107 ALA N N 124.584 0.300 1 1188 108 108 THR H H 8.391 0.030 1 1189 108 108 THR HA H 5.260 0.030 1 1190 108 108 THR HB H 3.919 0.030 1 1191 108 108 THR HG2 H 1.141 0.030 1 1192 108 108 THR C C 173.456 0.300 1 1193 108 108 THR CA C 61.326 0.300 1 1194 108 108 THR CB C 70.704 0.300 1 1195 108 108 THR CG2 C 21.586 0.300 1 1196 108 108 THR N N 115.560 0.300 1 1197 109 109 ILE H H 9.430 0.030 1 1198 109 109 ILE HA H 4.311 0.030 1 1199 109 109 ILE HB H 1.677 0.030 1 1200 109 109 ILE HD1 H 0.698 0.030 1 1201 109 109 ILE HG12 H 1.431 0.030 2 1202 109 109 ILE HG13 H 1.060 0.030 2 1203 109 109 ILE HG2 H 0.833 0.030 1 1204 109 109 ILE C C 173.978 0.300 1 1205 109 109 ILE CA C 60.264 0.300 1 1206 109 109 ILE CB C 42.232 0.300 1 1207 109 109 ILE CD1 C 14.988 0.300 1 1208 109 109 ILE CG1 C 28.690 0.300 1 1209 109 109 ILE CG2 C 18.235 0.300 1 1210 109 109 ILE N N 126.024 0.300 1 1211 110 110 ARG H H 9.176 0.030 1 1212 110 110 ARG HA H 5.202 0.030 1 1213 110 110 ARG HB2 H 1.759 0.030 2 1214 110 110 ARG HB3 H 1.786 0.030 2 1215 110 110 ARG HD2 H 3.180 0.030 2 1216 110 110 ARG HD3 H 3.251 0.030 2 1217 110 110 ARG HG2 H 1.633 0.030 2 1218 110 110 ARG HG3 H 1.500 0.030 2 1219 110 110 ARG C C 174.450 0.300 1 1220 110 110 ARG CA C 55.454 0.300 1 1221 110 110 ARG CB C 32.170 0.300 1 1222 110 110 ARG CD C 42.982 0.300 1 1223 110 110 ARG CG C 28.607 0.300 1 1224 110 110 ARG N N 126.808 0.300 1 1225 111 111 ILE H H 9.041 0.030 1 1226 111 111 ILE HA H 5.317 0.030 1 1227 111 111 ILE HB H 2.105 0.030 1 1228 111 111 ILE HD1 H 0.346 0.030 1 1229 111 111 ILE HG12 H 1.622 0.030 2 1230 111 111 ILE HG13 H 1.113 0.030 2 1231 111 111 ILE HG2 H 0.871 0.030 1 1232 111 111 ILE C C 176.406 0.300 1 1233 111 111 ILE CA C 59.534 0.300 1 1234 111 111 ILE CB C 40.909 0.300 1 1235 111 111 ILE CD1 C 13.274 0.300 1 1236 111 111 ILE CG1 C 27.578 0.300 1 1237 111 111 ILE CG2 C 17.375 0.300 1 1238 111 111 ILE N N 123.490 0.300 1 1239 112 112 ARG H H 9.346 0.030 1 1240 112 112 ARG HA H 4.551 0.030 1 1241 112 112 ARG HB2 H 1.684 0.030 2 1242 112 112 ARG HB3 H 1.560 0.030 2 1243 112 112 ARG HD2 H 3.159 0.030 2 1244 112 112 ARG HD3 H 3.175 0.030 2 1245 112 112 ARG HG2 H 1.389 0.030 2 1246 112 112 ARG HG3 H 1.616 0.030 2 1247 112 112 ARG C C 172.233 0.300 1 1248 112 112 ARG CA C 55.708 0.300 1 1249 112 112 ARG CB C 33.607 0.300 1 1250 112 112 ARG CD C 43.529 0.300 1 1251 112 112 ARG CG C 27.282 0.300 1 1252 112 112 ARG N N 131.301 0.300 1 1253 113 113 VAL H H 8.481 0.030 1 1254 113 113 VAL HA H 4.972 0.030 1 1255 113 113 VAL HB H 1.856 0.030 1 1256 113 113 VAL HG1 H 0.733 0.030 1 1257 113 113 VAL HG2 H 0.427 0.030 1 1258 113 113 VAL C C 176.329 0.300 1 1259 113 113 VAL CA C 60.316 0.300 1 1260 113 113 VAL CB C 32.170 0.300 1 1261 113 113 VAL CG1 C 21.294 0.300 2 1262 113 113 VAL CG2 C 21.474 0.300 2 1263 113 113 VAL N N 126.965 0.300 1 1264 114 114 VAL H H 8.711 0.030 1 1265 114 114 VAL HA H 4.534 0.030 1 1266 114 114 VAL HB H 2.201 0.030 1 1267 114 114 VAL HG1 H 0.853 0.030 1 1268 114 114 VAL HG2 H 0.704 0.030 1 1269 114 114 VAL C C 175.388 0.300 1 1270 114 114 VAL CA C 59.504 0.300 1 1271 114 114 VAL CB C 34.357 0.300 1 1272 114 114 VAL CG1 C 21.652 0.300 2 1273 114 114 VAL CG2 C 18.505 0.300 2 1274 114 114 VAL N N 121.210 0.300 1 1275 115 115 GLU H H 8.588 0.030 1 1276 115 115 GLU HA H 4.268 0.030 1 1277 115 115 GLU HB2 H 2.111 0.030 2 1278 115 115 GLU HB3 H 1.888 0.030 2 1279 115 115 GLU HG2 H 2.344 0.030 2 1280 115 115 GLU HG3 H 2.297 0.030 2 1281 115 115 GLU C C 176.439 0.300 1 1282 115 115 GLU CA C 56.357 0.300 1 1283 115 115 GLU CB C 30.515 0.300 1 1284 115 115 GLU CG C 36.224 0.300 1 1285 115 115 GLU N N 120.583 0.300 1 1286 116 116 LYS H H 8.492 0.030 1 1287 116 116 LYS HA H 4.196 0.030 1 1288 116 116 LYS HB2 H 1.782 0.030 2 1289 116 116 LYS HB3 H 1.844 0.030 2 1290 116 116 LYS HD2 H 1.691 0.030 1 1291 116 116 LYS HD3 H 1.691 0.030 1 1292 116 116 LYS HE2 H 2.989 0.030 1 1293 116 116 LYS HE3 H 2.989 0.030 1 1294 116 116 LYS HG2 H 1.430 0.030 1 1295 116 116 LYS HG3 H 1.430 0.030 1 1296 116 116 LYS C C 175.716 0.300 1 1297 116 116 LYS CA C 56.809 0.300 1 1298 116 116 LYS CB C 33.435 0.300 1 1299 116 116 LYS CD C 29.410 0.300 1 1300 116 116 LYS CE C 42.158 0.300 1 1301 116 116 LYS CG C 24.824 0.300 1 1302 116 116 LYS N N 120.858 0.300 1 1303 117 117 ALA H H 8.377 0.030 1 1304 117 117 ALA HA H 4.367 0.030 1 1305 117 117 ALA HB H 1.388 0.030 1 1306 117 117 ALA C C 176.835 0.300 1 1307 117 117 ALA CA C 52.263 0.300 1 1308 117 117 ALA CB C 19.543 0.300 1 1309 117 117 ALA N N 125.633 0.300 1 1310 118 118 GLY H H 7.975 0.030 1 1311 118 118 GLY HA2 H 3.742 0.030 1 1312 118 118 GLY HA3 H 3.742 0.030 1 1313 118 118 GLY C C 178.995 0.300 1 1314 118 118 GLY CA C 46.050 0.300 1 1315 118 118 GLY N N 114.943 0.300 1 stop_ save_