data_11229 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Ig-like domain (714-804) from human Obscurin-like protein 1 ; _BMRB_accession_number 11229 _BMRB_flat_file_name bmr11229.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 Suetake 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" 577 "13C chemical shifts" 442 "15N chemical shifts" 97 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 Ig-like domain (714-804) from human Obscurin-like protein 1 ; _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 Suetake 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 'Obscurin-like protein 1' _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 104 _Mol_residue_sequence ; GSSGSSGPVHILSPQDKVSL TFTTSERVVLTCELSRVDFP ATWYKDGQKVEESELLVVKM DGRKHRLILPEAKVQDSGEF ECRTEGVSAFFGVTVQDPSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 VAL 10 HIS 11 ILE 12 LEU 13 SER 14 PRO 15 GLN 16 ASP 17 LYS 18 VAL 19 SER 20 LEU 21 THR 22 PHE 23 THR 24 THR 25 SER 26 GLU 27 ARG 28 VAL 29 VAL 30 LEU 31 THR 32 CYS 33 GLU 34 LEU 35 SER 36 ARG 37 VAL 38 ASP 39 PHE 40 PRO 41 ALA 42 THR 43 TRP 44 TYR 45 LYS 46 ASP 47 GLY 48 GLN 49 LYS 50 VAL 51 GLU 52 GLU 53 SER 54 GLU 55 LEU 56 LEU 57 VAL 58 VAL 59 LYS 60 MET 61 ASP 62 GLY 63 ARG 64 LYS 65 HIS 66 ARG 67 LEU 68 ILE 69 LEU 70 PRO 71 GLU 72 ALA 73 LYS 74 VAL 75 GLN 76 ASP 77 SER 78 GLY 79 GLU 80 PHE 81 GLU 82 CYS 83 ARG 84 THR 85 GLU 86 GLY 87 VAL 88 SER 89 ALA 90 PHE 91 PHE 92 GLY 93 VAL 94 THR 95 VAL 96 GLN 97 ASP 98 PRO 99 SER 100 GLY 101 PRO 102 SER 103 SER 104 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 2E6P "Solution Structure Of The Ig-Like Domain (714-804) From Human Obscurin-Like Protein 1" 100.00 104 100.00 100.00 7.61e-68 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 P050919-02 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.17mM 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 1.17 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 '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 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 $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 6 6 SER HA H 4.568 0.030 1 2 6 6 SER HB2 H 3.914 0.030 1 3 6 6 SER HB3 H 3.914 0.030 1 4 6 6 SER C C 174.485 0.300 1 5 6 6 SER CA C 58.362 0.300 1 6 6 6 SER CB C 63.990 0.300 1 7 7 7 GLY H H 8.232 0.030 1 8 7 7 GLY HA2 H 4.162 0.030 1 9 7 7 GLY HA3 H 4.162 0.030 1 10 7 7 GLY C C 171.874 0.300 1 11 7 7 GLY CA C 44.582 0.300 1 12 7 7 GLY N N 110.470 0.300 1 13 8 8 PRO HA H 4.390 0.030 1 14 8 8 PRO HB2 H 1.798 0.030 2 15 8 8 PRO HB3 H 2.273 0.030 2 16 8 8 PRO HD2 H 3.674 0.030 2 17 8 8 PRO HD3 H 3.597 0.030 2 18 8 8 PRO HG2 H 1.918 0.030 2 19 8 8 PRO HG3 H 2.078 0.030 2 20 8 8 PRO C C 176.095 0.300 1 21 8 8 PRO CA C 63.238 0.300 1 22 8 8 PRO CB C 32.392 0.300 1 23 8 8 PRO CD C 49.685 0.300 1 24 8 8 PRO CG C 27.068 0.300 1 25 9 9 VAL H H 7.877 0.030 1 26 9 9 VAL HA H 3.728 0.030 1 27 9 9 VAL HB H 1.108 0.030 1 28 9 9 VAL HG1 H 0.595 0.030 1 29 9 9 VAL HG2 H 0.500 0.030 1 30 9 9 VAL C C 171.896 0.300 1 31 9 9 VAL CA C 61.088 0.300 1 32 9 9 VAL CB C 33.476 0.300 1 33 9 9 VAL CG1 C 20.338 0.300 2 34 9 9 VAL CG2 C 22.679 0.300 2 35 9 9 VAL N N 119.803 0.300 1 36 10 10 HIS H H 8.202 0.030 1 37 10 10 HIS HA H 4.830 0.030 1 38 10 10 HIS HB2 H 2.912 0.030 2 39 10 10 HIS HB3 H 3.030 0.030 2 40 10 10 HIS HD2 H 6.816 0.030 1 41 10 10 HIS HE1 H 7.801 0.030 1 42 10 10 HIS C C 173.412 0.300 1 43 10 10 HIS CA C 54.222 0.300 1 44 10 10 HIS CB C 32.560 0.300 1 45 10 10 HIS CD2 C 121.120 0.300 1 46 10 10 HIS CE1 C 137.985 0.300 1 47 10 10 HIS N N 122.158 0.300 1 48 11 11 ILE H H 8.776 0.030 1 49 11 11 ILE HA H 4.084 0.030 1 50 11 11 ILE HB H 1.739 0.030 1 51 11 11 ILE HD1 H 0.489 0.030 1 52 11 11 ILE HG12 H 1.283 0.030 2 53 11 11 ILE HG13 H 0.826 0.030 2 54 11 11 ILE HG2 H 0.704 0.030 1 55 11 11 ILE C C 176.218 0.300 1 56 11 11 ILE CA C 61.252 0.300 1 57 11 11 ILE CB C 38.016 0.300 1 58 11 11 ILE CD1 C 13.227 0.300 1 59 11 11 ILE CG1 C 27.677 0.300 1 60 11 11 ILE CG2 C 18.678 0.300 1 61 11 11 ILE N N 121.176 0.300 1 62 12 12 LEU H H 9.114 0.030 1 63 12 12 LEU HA H 4.302 0.030 1 64 12 12 LEU HB2 H 1.453 0.030 2 65 12 12 LEU HB3 H 1.403 0.030 2 66 12 12 LEU HD1 H 0.724 0.030 1 67 12 12 LEU HD2 H 0.743 0.030 1 68 12 12 LEU HG H 1.263 0.030 1 69 12 12 LEU C C 177.918 0.300 1 70 12 12 LEU CA C 56.165 0.300 1 71 12 12 LEU CB C 41.857 0.300 1 72 12 12 LEU CD1 C 25.538 0.300 2 73 12 12 LEU CD2 C 22.630 0.300 2 74 12 12 LEU CG C 27.326 0.300 1 75 12 12 LEU N N 128.129 0.300 1 76 13 13 SER H H 7.609 0.030 1 77 13 13 SER HA H 4.551 0.030 1 78 13 13 SER HB2 H 3.930 0.030 2 79 13 13 SER HB3 H 3.791 0.030 2 80 13 13 SER C C 171.232 0.300 1 81 13 13 SER CA C 55.991 0.300 1 82 13 13 SER CB C 64.463 0.300 1 83 13 13 SER N N 112.218 0.300 1 84 14 14 PRO HA H 4.928 0.030 1 85 14 14 PRO HB2 H 2.453 0.030 2 86 14 14 PRO HB3 H 2.574 0.030 2 87 14 14 PRO HD2 H 3.597 0.030 2 88 14 14 PRO HD3 H 4.029 0.030 2 89 14 14 PRO HG2 H 1.762 0.030 2 90 14 14 PRO HG3 H 1.643 0.030 2 91 14 14 PRO C C 175.919 0.300 1 92 14 14 PRO CA C 62.807 0.300 1 93 14 14 PRO CB C 34.147 0.300 1 94 14 14 PRO CD C 50.209 0.300 1 95 14 14 PRO CG C 24.361 0.300 1 96 15 15 GLN H H 8.811 0.030 1 97 15 15 GLN HA H 4.187 0.030 1 98 15 15 GLN HB2 H 2.224 0.030 2 99 15 15 GLN HB3 H 1.959 0.030 2 100 15 15 GLN HE21 H 7.599 0.030 2 101 15 15 GLN HE22 H 6.876 0.030 2 102 15 15 GLN HG2 H 2.358 0.030 2 103 15 15 GLN HG3 H 2.434 0.030 2 104 15 15 GLN C C 174.792 0.300 1 105 15 15 GLN CA C 57.282 0.300 1 106 15 15 GLN CB C 29.264 0.300 1 107 15 15 GLN CG C 34.806 0.300 1 108 15 15 GLN N N 119.409 0.300 1 109 15 15 GLN NE2 N 112.400 0.300 1 110 16 16 ASP H H 7.801 0.030 1 111 16 16 ASP HA H 4.781 0.030 1 112 16 16 ASP HB2 H 2.715 0.030 2 113 16 16 ASP HB3 H 2.574 0.030 2 114 16 16 ASP C C 175.319 0.300 1 115 16 16 ASP CA C 52.082 0.300 1 116 16 16 ASP CB C 43.300 0.300 1 117 16 16 ASP N N 117.456 0.300 1 118 17 17 LYS H H 8.599 0.030 1 119 17 17 LYS HA H 4.450 0.030 1 120 17 17 LYS HB2 H 1.733 0.030 1 121 17 17 LYS HB3 H 1.733 0.030 1 122 17 17 LYS HD2 H 1.536 0.030 1 123 17 17 LYS HD3 H 1.536 0.030 1 124 17 17 LYS HE2 H 2.741 0.030 2 125 17 17 LYS HE3 H 2.775 0.030 2 126 17 17 LYS HG2 H 1.225 0.030 1 127 17 17 LYS HG3 H 1.225 0.030 1 128 17 17 LYS C C 176.732 0.300 1 129 17 17 LYS CA C 57.452 0.300 1 130 17 17 LYS CB C 32.255 0.300 1 131 17 17 LYS CD C 29.574 0.300 1 132 17 17 LYS CE C 42.047 0.300 1 133 17 17 LYS CG C 25.385 0.300 1 134 17 17 LYS N N 121.495 0.300 1 135 18 18 VAL H H 7.851 0.030 1 136 18 18 VAL HA H 4.566 0.030 1 137 18 18 VAL HB H 2.209 0.030 1 138 18 18 VAL HG1 H 1.184 0.030 1 139 18 18 VAL HG2 H 1.165 0.030 1 140 18 18 VAL C C 175.034 0.300 1 141 18 18 VAL CA C 60.419 0.300 1 142 18 18 VAL CB C 34.574 0.300 1 143 18 18 VAL CG1 C 21.772 0.300 2 144 18 18 VAL CG2 C 21.170 0.300 2 145 18 18 VAL N N 124.958 0.300 1 146 19 19 SER H H 8.777 0.030 1 147 19 19 SER HA H 5.338 0.030 1 148 19 19 SER HB2 H 3.756 0.030 2 149 19 19 SER HB3 H 3.853 0.030 2 150 19 19 SER C C 173.497 0.300 1 151 19 19 SER CA C 57.426 0.300 1 152 19 19 SER CB C 63.954 0.300 1 153 19 19 SER N N 121.823 0.300 1 154 20 20 LEU H H 9.237 0.030 1 155 20 20 LEU HA H 4.749 0.030 1 156 20 20 LEU HB2 H 1.826 0.030 2 157 20 20 LEU HB3 H 1.530 0.030 2 158 20 20 LEU HD1 H 1.236 0.030 1 159 20 20 LEU HD2 H 1.038 0.030 1 160 20 20 LEU HG H 1.715 0.030 1 161 20 20 LEU C C 176.066 0.300 1 162 20 20 LEU CA C 54.138 0.300 1 163 20 20 LEU CB C 47.425 0.300 1 164 20 20 LEU CD1 C 26.720 0.300 2 165 20 20 LEU CD2 C 23.143 0.300 2 166 20 20 LEU CG C 27.266 0.300 1 167 20 20 LEU N N 127.165 0.300 1 168 21 21 THR H H 8.132 0.030 1 169 21 21 THR HA H 5.305 0.030 1 170 21 21 THR HB H 3.813 0.030 1 171 21 21 THR HG2 H 1.063 0.030 1 172 21 21 THR C C 172.594 0.300 1 173 21 21 THR CA C 60.925 0.300 1 174 21 21 THR CB C 70.765 0.300 1 175 21 21 THR CG2 C 21.368 0.300 1 176 21 21 THR N N 117.896 0.300 1 177 22 22 PHE H H 9.094 0.030 1 178 22 22 PHE HA H 4.933 0.030 1 179 22 22 PHE HB2 H 3.266 0.030 2 180 22 22 PHE HB3 H 2.312 0.030 2 181 22 22 PHE HD1 H 7.111 0.030 1 182 22 22 PHE HD2 H 7.111 0.030 1 183 22 22 PHE HE1 H 7.260 0.030 1 184 22 22 PHE HE2 H 7.260 0.030 1 185 22 22 PHE HZ H 7.358 0.030 1 186 22 22 PHE C C 174.686 0.300 1 187 22 22 PHE CA C 56.306 0.300 1 188 22 22 PHE CB C 43.995 0.300 1 189 22 22 PHE CD1 C 132.071 0.300 1 190 22 22 PHE CD2 C 132.071 0.300 1 191 22 22 PHE CE1 C 131.651 0.300 1 192 22 22 PHE CE2 C 131.651 0.300 1 193 22 22 PHE CZ C 129.820 0.300 1 194 22 22 PHE N N 123.751 0.300 1 195 23 23 THR H H 9.314 0.030 1 196 23 23 THR HA H 5.392 0.030 1 197 23 23 THR HB H 4.058 0.030 1 198 23 23 THR HG2 H 1.404 0.030 1 199 23 23 THR C C 174.125 0.300 1 200 23 23 THR CA C 60.651 0.300 1 201 23 23 THR CB C 70.765 0.300 1 202 23 23 THR CG2 C 22.017 0.300 1 203 23 23 THR N N 117.645 0.300 1 204 24 24 THR H H 7.913 0.030 1 205 24 24 THR HA H 3.482 0.030 1 206 24 24 THR HB H 4.077 0.030 1 207 24 24 THR HG2 H 1.335 0.030 1 208 24 24 THR C C 175.206 0.300 1 209 24 24 THR CA C 64.398 0.300 1 210 24 24 THR CB C 69.072 0.300 1 211 24 24 THR CG2 C 24.006 0.300 1 212 24 24 THR N N 117.556 0.300 1 213 25 25 SER H H 9.529 0.030 1 214 25 25 SER HA H 3.800 0.030 1 215 25 25 SER HB2 H 4.064 0.030 2 216 25 25 SER HB3 H 4.313 0.030 2 217 25 25 SER C C 173.484 0.300 1 218 25 25 SER CA C 61.846 0.300 1 219 25 25 SER CB C 61.939 0.300 1 220 25 25 SER N N 117.372 0.300 1 221 26 26 GLU H H 7.966 0.030 1 222 26 26 GLU HA H 4.228 0.030 1 223 26 26 GLU HB2 H 2.255 0.030 2 224 26 26 GLU HB3 H 2.032 0.030 2 225 26 26 GLU HG2 H 2.563 0.030 2 226 26 26 GLU HG3 H 2.289 0.030 2 227 26 26 GLU C C 174.422 0.300 1 228 26 26 GLU CA C 57.549 0.300 1 229 26 26 GLU CB C 31.448 0.300 1 230 26 26 GLU CG C 38.222 0.300 1 231 26 26 GLU N N 121.919 0.300 1 232 27 27 ARG H H 8.115 0.030 1 233 27 27 ARG HA H 4.587 0.030 1 234 27 27 ARG HB2 H 1.650 0.030 1 235 27 27 ARG HB3 H 1.650 0.030 1 236 27 27 ARG HD2 H 3.149 0.030 2 237 27 27 ARG HD3 H 3.060 0.030 2 238 27 27 ARG HG2 H 1.332 0.030 2 239 27 27 ARG HG3 H 1.041 0.030 2 240 27 27 ARG C C 175.822 0.300 1 241 27 27 ARG CA C 55.095 0.300 1 242 27 27 ARG CB C 30.565 0.300 1 243 27 27 ARG CD C 43.323 0.300 1 244 27 27 ARG CG C 28.000 0.300 1 245 27 27 ARG N N 121.856 0.300 1 246 28 28 VAL H H 8.444 0.030 1 247 28 28 VAL HA H 3.387 0.030 1 248 28 28 VAL HB H 1.474 0.030 1 249 28 28 VAL HG1 H 0.002 0.030 1 250 28 28 VAL HG2 H -0.338 0.030 1 251 28 28 VAL C C 173.686 0.300 1 252 28 28 VAL CA C 61.167 0.300 1 253 28 28 VAL CB C 33.168 0.300 1 254 28 28 VAL CG1 C 19.557 0.300 2 255 28 28 VAL CG2 C 19.435 0.300 2 256 28 28 VAL N N 130.801 0.300 1 257 29 29 VAL H H 7.731 0.030 1 258 29 29 VAL HA H 4.473 0.030 1 259 29 29 VAL HB H 1.865 0.030 1 260 29 29 VAL HG1 H 0.717 0.030 1 261 29 29 VAL HG2 H 0.621 0.030 1 262 29 29 VAL C C 175.287 0.300 1 263 29 29 VAL CA C 60.813 0.300 1 264 29 29 VAL CB C 33.640 0.300 1 265 29 29 VAL CG1 C 20.671 0.300 2 266 29 29 VAL CG2 C 20.626 0.300 2 267 29 29 VAL N N 124.851 0.300 1 268 30 30 LEU H H 9.206 0.030 1 269 30 30 LEU HA H 4.362 0.030 1 270 30 30 LEU HB2 H 1.200 0.030 2 271 30 30 LEU HB3 H -0.173 0.030 2 272 30 30 LEU HD1 H 0.020 0.030 1 273 30 30 LEU HD2 H 0.373 0.030 1 274 30 30 LEU HG H 0.921 0.030 1 275 30 30 LEU C C 175.470 0.300 1 276 30 30 LEU CA C 52.711 0.300 1 277 30 30 LEU CB C 40.900 0.300 1 278 30 30 LEU CD1 C 25.392 0.300 2 279 30 30 LEU CD2 C 21.848 0.300 2 280 30 30 LEU CG C 25.881 0.300 1 281 30 30 LEU N N 130.056 0.300 1 282 31 31 THR H H 8.143 0.030 1 283 31 31 THR HA H 5.296 0.030 1 284 31 31 THR HB H 3.989 0.030 1 285 31 31 THR HG2 H 1.137 0.030 1 286 31 31 THR C C 173.504 0.300 1 287 31 31 THR CA C 61.974 0.300 1 288 31 31 THR CB C 70.337 0.300 1 289 31 31 THR CG2 C 21.402 0.300 1 290 31 31 THR N N 117.091 0.300 1 291 32 32 CYS H H 9.962 0.030 1 292 32 32 CYS HA H 5.392 0.030 1 293 32 32 CYS HB2 H 2.750 0.030 2 294 32 32 CYS HB3 H 3.040 0.030 2 295 32 32 CYS C C 172.615 0.300 1 296 32 32 CYS CA C 56.448 0.300 1 297 32 32 CYS CB C 29.753 0.300 1 298 32 32 CYS N N 129.093 0.300 1 299 33 33 GLU H H 9.544 0.030 1 300 33 33 GLU HA H 5.216 0.030 1 301 33 33 GLU HB2 H 2.133 0.030 2 302 33 33 GLU HB3 H 1.750 0.030 2 303 33 33 GLU HG2 H 2.253 0.030 2 304 33 33 GLU HG3 H 2.110 0.030 2 305 33 33 GLU C C 175.173 0.300 1 306 33 33 GLU CA C 54.894 0.300 1 307 33 33 GLU CB C 32.268 0.300 1 308 33 33 GLU CG C 37.269 0.300 1 309 33 33 GLU N N 129.779 0.300 1 310 34 34 LEU H H 9.256 0.030 1 311 34 34 LEU HA H 5.065 0.030 1 312 34 34 LEU HB2 H 2.359 0.030 2 313 34 34 LEU HB3 H 1.446 0.030 2 314 34 34 LEU HD1 H 0.966 0.030 1 315 34 34 LEU HD2 H 0.692 0.030 1 316 34 34 LEU HG H 1.884 0.030 1 317 34 34 LEU C C 176.565 0.300 1 318 34 34 LEU CA C 53.338 0.300 1 319 34 34 LEU CB C 44.693 0.300 1 320 34 34 LEU CD1 C 26.326 0.300 2 321 34 34 LEU CD2 C 25.005 0.300 2 322 34 34 LEU CG C 27.778 0.300 1 323 34 34 LEU N N 126.062 0.300 1 324 35 35 SER H H 8.198 0.030 1 325 35 35 SER HA H 4.045 0.030 1 326 35 35 SER HB2 H 4.024 0.030 2 327 35 35 SER HB3 H 2.985 0.030 2 328 35 35 SER C C 174.144 0.300 1 329 35 35 SER CA C 59.429 0.300 1 330 35 35 SER CB C 62.491 0.300 1 331 35 35 SER N N 108.747 0.300 1 332 36 36 ARG H H 6.650 0.030 1 333 36 36 ARG HA H 4.810 0.030 1 334 36 36 ARG HB2 H 1.889 0.030 2 335 36 36 ARG HB3 H 1.206 0.030 2 336 36 36 ARG HD2 H 3.013 0.030 2 337 36 36 ARG HD3 H 2.976 0.030 2 338 36 36 ARG HG2 H 1.564 0.030 2 339 36 36 ARG HG3 H 1.429 0.030 2 340 36 36 ARG C C 174.660 0.300 1 341 36 36 ARG CA C 53.631 0.300 1 342 36 36 ARG CB C 34.724 0.300 1 343 36 36 ARG CD C 42.809 0.300 1 344 36 36 ARG CG C 26.491 0.300 1 345 36 36 ARG N N 118.664 0.300 1 346 37 37 VAL H H 8.469 0.030 1 347 37 37 VAL HA H 3.525 0.030 1 348 37 37 VAL HB H 1.987 0.030 1 349 37 37 VAL HG1 H 0.941 0.030 1 350 37 37 VAL HG2 H 0.980 0.030 1 351 37 37 VAL C C 174.535 0.300 1 352 37 37 VAL CA C 61.846 0.300 1 353 37 37 VAL CB C 32.987 0.300 1 354 37 37 VAL CG1 C 21.717 0.300 2 355 37 37 VAL CG2 C 21.089 0.300 2 356 37 37 VAL N N 120.500 0.300 1 357 38 38 ASP H H 8.100 0.030 1 358 38 38 ASP HA H 4.493 0.030 1 359 38 38 ASP HB2 H 2.807 0.030 2 360 38 38 ASP HB3 H 2.680 0.030 2 361 38 38 ASP C C 174.056 0.300 1 362 38 38 ASP CA C 55.523 0.300 1 363 38 38 ASP CB C 38.859 0.300 1 364 38 38 ASP N N 122.876 0.300 1 365 39 39 PHE H H 9.185 0.030 1 366 39 39 PHE HA H 4.772 0.030 1 367 39 39 PHE HB2 H 3.039 0.030 2 368 39 39 PHE HB3 H 2.523 0.030 2 369 39 39 PHE HD1 H 7.227 0.030 1 370 39 39 PHE HD2 H 7.227 0.030 1 371 39 39 PHE HE1 H 7.349 0.030 1 372 39 39 PHE HE2 H 7.349 0.030 1 373 39 39 PHE HZ H 7.316 0.030 1 374 39 39 PHE C C 172.648 0.300 1 375 39 39 PHE CA C 55.761 0.300 1 376 39 39 PHE CB C 42.652 0.300 1 377 39 39 PHE CD1 C 131.700 0.300 1 378 39 39 PHE CD2 C 131.700 0.300 1 379 39 39 PHE CE1 C 131.625 0.300 1 380 39 39 PHE CE2 C 131.625 0.300 1 381 39 39 PHE CZ C 129.641 0.300 1 382 39 39 PHE N N 126.365 0.300 1 383 40 40 PRO HA H 4.376 0.030 1 384 40 40 PRO HB2 H 1.702 0.030 2 385 40 40 PRO HB3 H 2.112 0.030 2 386 40 40 PRO HD2 H 2.072 0.030 2 387 40 40 PRO HD3 H 3.362 0.030 2 388 40 40 PRO HG2 H 1.675 0.030 2 389 40 40 PRO HG3 H 1.624 0.030 2 390 40 40 PRO C C 175.568 0.300 1 391 40 40 PRO CA C 63.543 0.300 1 392 40 40 PRO CB C 32.205 0.300 1 393 40 40 PRO CD C 50.072 0.300 1 394 40 40 PRO CG C 27.357 0.300 1 395 41 41 ALA H H 8.040 0.030 1 396 41 41 ALA HA H 4.601 0.030 1 397 41 41 ALA HB H 0.421 0.030 1 398 41 41 ALA C C 175.914 0.300 1 399 41 41 ALA CA C 51.353 0.300 1 400 41 41 ALA CB C 21.585 0.300 1 401 41 41 ALA N N 123.384 0.300 1 402 42 42 THR H H 8.604 0.030 1 403 42 42 THR HA H 4.657 0.030 1 404 42 42 THR HB H 3.899 0.030 1 405 42 42 THR HG2 H 1.141 0.030 1 406 42 42 THR C C 172.205 0.300 1 407 42 42 THR CA C 61.702 0.300 1 408 42 42 THR CB C 72.477 0.300 1 409 42 42 THR CG2 C 22.017 0.300 1 410 42 42 THR N N 116.131 0.300 1 411 43 43 TRP H H 9.451 0.030 1 412 43 43 TRP HA H 5.777 0.030 1 413 43 43 TRP HB2 H 3.052 0.030 2 414 43 43 TRP HB3 H 2.994 0.030 2 415 43 43 TRP HD1 H 7.323 0.030 1 416 43 43 TRP HE1 H 10.200 0.030 1 417 43 43 TRP HE3 H 7.420 0.030 1 418 43 43 TRP HH2 H 6.358 0.030 1 419 43 43 TRP HZ2 H 7.082 0.030 1 420 43 43 TRP HZ3 H 6.490 0.030 1 421 43 43 TRP C C 175.589 0.300 1 422 43 43 TRP CA C 56.812 0.300 1 423 43 43 TRP CB C 30.872 0.300 1 424 43 43 TRP CD1 C 128.165 0.300 1 425 43 43 TRP CE3 C 120.274 0.300 1 426 43 43 TRP CH2 C 123.683 0.300 1 427 43 43 TRP CZ2 C 114.507 0.300 1 428 43 43 TRP CZ3 C 121.177 0.300 1 429 43 43 TRP N N 127.060 0.300 1 430 43 43 TRP NE1 N 129.758 0.300 1 431 44 44 TYR H H 9.778 0.030 1 432 44 44 TYR HA H 4.961 0.030 1 433 44 44 TYR HB2 H 2.451 0.030 2 434 44 44 TYR HB3 H 2.974 0.030 2 435 44 44 TYR HD1 H 6.649 0.030 1 436 44 44 TYR HD2 H 6.649 0.030 1 437 44 44 TYR HE1 H 6.532 0.030 1 438 44 44 TYR HE2 H 6.532 0.030 1 439 44 44 TYR C C 174.750 0.300 1 440 44 44 TYR CA C 56.729 0.300 1 441 44 44 TYR CB C 43.628 0.300 1 442 44 44 TYR CD1 C 132.310 0.300 1 443 44 44 TYR CD2 C 132.310 0.300 1 444 44 44 TYR CE1 C 117.196 0.300 1 445 44 44 TYR CE2 C 117.196 0.300 1 446 44 44 TYR N N 120.597 0.300 1 447 45 45 LYS H H 9.280 0.030 1 448 45 45 LYS HA H 4.728 0.030 1 449 45 45 LYS HB2 H 1.559 0.030 2 450 45 45 LYS HB3 H 1.166 0.030 2 451 45 45 LYS HD2 H 1.140 0.030 2 452 45 45 LYS HD3 H 1.337 0.030 2 453 45 45 LYS HE2 H 2.578 0.030 2 454 45 45 LYS HE3 H 2.668 0.030 2 455 45 45 LYS HG2 H -0.297 0.030 2 456 45 45 LYS HG3 H 0.619 0.030 2 457 45 45 LYS C C 176.958 0.300 1 458 45 45 LYS CA C 54.983 0.300 1 459 45 45 LYS CB C 34.879 0.300 1 460 45 45 LYS CD C 29.088 0.300 1 461 45 45 LYS CE C 43.287 0.300 1 462 45 45 LYS CG C 24.772 0.300 1 463 45 45 LYS N N 120.531 0.300 1 464 46 46 ASP H H 9.827 0.030 1 465 46 46 ASP HA H 4.496 0.030 1 466 46 46 ASP HB2 H 2.897 0.030 2 467 46 46 ASP HB3 H 2.726 0.030 2 468 46 46 ASP C C 176.494 0.300 1 469 46 46 ASP CA C 55.901 0.300 1 470 46 46 ASP CB C 39.995 0.300 1 471 46 46 ASP N N 130.020 0.300 1 472 47 47 GLY H H 8.657 0.030 1 473 47 47 GLY HA2 H 3.633 0.030 2 474 47 47 GLY HA3 H 4.309 0.030 2 475 47 47 GLY C C 174.156 0.300 1 476 47 47 GLY CA C 45.481 0.300 1 477 47 47 GLY N N 102.144 0.300 1 478 48 48 GLN H H 8.101 0.030 1 479 48 48 GLN HA H 4.919 0.030 1 480 48 48 GLN HB2 H 2.206 0.030 2 481 48 48 GLN HB3 H 2.070 0.030 2 482 48 48 GLN HE21 H 6.894 0.030 2 483 48 48 GLN HE22 H 7.655 0.030 2 484 48 48 GLN HG2 H 2.463 0.030 2 485 48 48 GLN HG3 H 2.400 0.030 2 486 48 48 GLN C C 175.010 0.300 1 487 48 48 GLN CA C 53.800 0.300 1 488 48 48 GLN CB C 31.072 0.300 1 489 48 48 GLN CG C 33.521 0.300 1 490 48 48 GLN N N 120.485 0.300 1 491 48 48 GLN NE2 N 112.717 0.300 1 492 49 49 LYS H H 9.009 0.030 1 493 49 49 LYS HA H 3.557 0.030 1 494 49 49 LYS HB2 H 1.478 0.030 2 495 49 49 LYS HB3 H 1.617 0.030 2 496 49 49 LYS HD2 H 1.608 0.030 2 497 49 49 LYS HD3 H 1.669 0.030 2 498 49 49 LYS HE2 H 3.029 0.030 2 499 49 49 LYS HE3 H 3.055 0.030 2 500 49 49 LYS HG2 H 1.300 0.030 2 501 49 49 LYS HG3 H 1.129 0.030 2 502 49 49 LYS C C 177.728 0.300 1 503 49 49 LYS CA C 57.852 0.300 1 504 49 49 LYS CB C 32.374 0.300 1 505 49 49 LYS CD C 29.637 0.300 1 506 49 49 LYS CE C 42.042 0.300 1 507 49 49 LYS CG C 24.631 0.300 1 508 49 49 LYS N N 128.554 0.300 1 509 50 50 VAL H H 8.140 0.030 1 510 50 50 VAL HA H 4.159 0.030 1 511 50 50 VAL HB H 2.133 0.030 1 512 50 50 VAL HG1 H 0.945 0.030 1 513 50 50 VAL HG2 H 0.843 0.030 1 514 50 50 VAL C C 175.528 0.300 1 515 50 50 VAL CA C 62.208 0.300 1 516 50 50 VAL CB C 32.050 0.300 1 517 50 50 VAL CG1 C 21.978 0.300 2 518 50 50 VAL CG2 C 19.457 0.300 2 519 50 50 VAL N N 120.485 0.300 1 520 51 51 GLU H H 8.571 0.030 1 521 51 51 GLU HA H 4.534 0.030 1 522 51 51 GLU HB2 H 1.996 0.030 2 523 51 51 GLU HB3 H 1.877 0.030 2 524 51 51 GLU HG2 H 2.281 0.030 2 525 51 51 GLU HG3 H 2.181 0.030 2 526 51 51 GLU C C 175.417 0.300 1 527 51 51 GLU CA C 54.560 0.300 1 528 51 51 GLU CB C 30.720 0.300 1 529 51 51 GLU CG C 36.022 0.300 1 530 51 51 GLU N N 123.661 0.300 1 531 52 52 GLU H H 8.656 0.030 1 532 52 52 GLU HA H 4.486 0.030 1 533 52 52 GLU HB2 H 2.315 0.030 2 534 52 52 GLU HB3 H 1.918 0.030 2 535 52 52 GLU HG2 H 2.205 0.030 1 536 52 52 GLU HG3 H 2.205 0.030 1 537 52 52 GLU C C 176.633 0.300 1 538 52 52 GLU CA C 57.154 0.300 1 539 52 52 GLU CB C 31.124 0.300 1 540 52 52 GLU CG C 38.277 0.300 1 541 52 52 GLU N N 125.059 0.300 1 542 53 53 SER H H 9.518 0.030 1 543 53 53 SER HA H 4.724 0.030 1 544 53 53 SER HB2 H 4.174 0.030 2 545 53 53 SER HB3 H 4.018 0.030 2 546 53 53 SER C C 175.220 0.300 1 547 53 53 SER CA C 58.362 0.300 1 548 53 53 SER CB C 65.217 0.300 1 549 53 53 SER N N 117.813 0.300 1 550 54 54 GLU H H 9.277 0.030 1 551 54 54 GLU HA H 4.147 0.030 1 552 54 54 GLU HB2 H 2.060 0.030 2 553 54 54 GLU HB3 H 2.002 0.030 2 554 54 54 GLU HG2 H 2.355 0.030 2 555 54 54 GLU HG3 H 2.290 0.030 2 556 54 54 GLU C C 176.703 0.300 1 557 54 54 GLU CA C 59.022 0.300 1 558 54 54 GLU CB C 28.880 0.300 1 559 54 54 GLU CG C 36.462 0.300 1 560 54 54 GLU N N 119.518 0.300 1 561 55 55 LEU H H 7.986 0.030 1 562 55 55 LEU HA H 4.352 0.030 1 563 55 55 LEU HB2 H 1.390 0.030 2 564 55 55 LEU HB3 H 1.832 0.030 2 565 55 55 LEU HD1 H 0.901 0.030 1 566 55 55 LEU HD2 H 0.839 0.030 1 567 55 55 LEU HG H 1.530 0.030 1 568 55 55 LEU C C 176.319 0.300 1 569 55 55 LEU CA C 54.002 0.300 1 570 55 55 LEU CB C 42.375 0.300 1 571 55 55 LEU CD1 C 25.478 0.300 2 572 55 55 LEU CD2 C 22.461 0.300 2 573 55 55 LEU CG C 27.041 0.300 1 574 55 55 LEU N N 115.769 0.300 1 575 56 56 LEU H H 7.220 0.030 1 576 56 56 LEU HA H 4.631 0.030 1 577 56 56 LEU HB2 H 1.456 0.030 2 578 56 56 LEU HB3 H 1.821 0.030 2 579 56 56 LEU HD1 H 0.911 0.030 1 580 56 56 LEU HD2 H 0.545 0.030 1 581 56 56 LEU HG H 1.365 0.030 1 582 56 56 LEU C C 173.169 0.300 1 583 56 56 LEU CA C 58.194 0.300 1 584 56 56 LEU CB C 42.744 0.300 1 585 56 56 LEU CD1 C 26.456 0.300 2 586 56 56 LEU CD2 C 24.346 0.300 2 587 56 56 LEU CG C 28.756 0.300 1 588 56 56 LEU N N 125.598 0.300 1 589 57 57 VAL H H 9.114 0.030 1 590 57 57 VAL HA H 4.467 0.030 1 591 57 57 VAL HB H 1.852 0.030 1 592 57 57 VAL HG1 H 0.843 0.030 1 593 57 57 VAL HG2 H 0.836 0.030 1 594 57 57 VAL C C 174.165 0.300 1 595 57 57 VAL CA C 60.670 0.300 1 596 57 57 VAL CB C 35.042 0.300 1 597 57 57 VAL CG1 C 21.345 0.300 2 598 57 57 VAL CG2 C 20.256 0.300 2 599 57 57 VAL N N 127.615 0.300 1 600 58 58 VAL H H 8.519 0.030 1 601 58 58 VAL HA H 4.772 0.030 1 602 58 58 VAL HB H 1.819 0.030 1 603 58 58 VAL HG1 H 0.925 0.030 1 604 58 58 VAL HG2 H 0.670 0.030 1 605 58 58 VAL C C 176.067 0.300 1 606 58 58 VAL CA C 60.587 0.300 1 607 58 58 VAL CB C 34.183 0.300 1 608 58 58 VAL CG1 C 22.439 0.300 2 609 58 58 VAL CG2 C 20.540 0.300 2 610 58 58 VAL N N 125.068 0.300 1 611 59 59 LYS H H 9.188 0.030 1 612 59 59 LYS HA H 4.840 0.030 1 613 59 59 LYS HB2 H 1.464 0.030 2 614 59 59 LYS HB3 H 1.771 0.030 2 615 59 59 LYS HD2 H 1.563 0.030 2 616 59 59 LYS HD3 H 1.633 0.030 2 617 59 59 LYS HE2 H 2.791 0.030 2 618 59 59 LYS HE3 H 2.893 0.030 2 619 59 59 LYS HG2 H 1.214 0.030 1 620 59 59 LYS HG3 H 1.214 0.030 1 621 59 59 LYS C C 175.693 0.300 1 622 59 59 LYS CA C 54.110 0.300 1 623 59 59 LYS CB C 37.596 0.300 1 624 59 59 LYS CD C 28.711 0.300 1 625 59 59 LYS CE C 41.896 0.300 1 626 59 59 LYS CG C 24.468 0.300 1 627 59 59 LYS N N 124.208 0.300 1 628 60 60 MET H H 8.725 0.030 1 629 60 60 MET HA H 4.593 0.030 1 630 60 60 MET HB2 H 2.055 0.030 2 631 60 60 MET HB3 H 1.677 0.030 2 632 60 60 MET HE H 2.016 0.030 1 633 60 60 MET HG2 H 2.174 0.030 2 634 60 60 MET HG3 H 1.666 0.030 2 635 60 60 MET C C 173.776 0.300 1 636 60 60 MET CA C 55.445 0.300 1 637 60 60 MET CB C 35.279 0.300 1 638 60 60 MET CE C 16.336 0.300 1 639 60 60 MET CG C 30.552 0.300 1 640 60 60 MET N N 125.033 0.300 1 641 61 61 ASP H H 8.903 0.030 1 642 61 61 ASP HA H 4.806 0.030 1 643 61 61 ASP HB2 H 2.599 0.030 2 644 61 61 ASP HB3 H 2.429 0.030 2 645 61 61 ASP C C 175.902 0.300 1 646 61 61 ASP CA C 52.674 0.300 1 647 61 61 ASP CB C 42.219 0.300 1 648 61 61 ASP N N 126.726 0.300 1 649 62 62 GLY H H 9.281 0.030 1 650 62 62 GLY HA2 H 4.121 0.030 2 651 62 62 GLY HA3 H 3.694 0.030 2 652 62 62 GLY C C 175.924 0.300 1 653 62 62 GLY CA C 47.561 0.300 1 654 62 62 GLY N N 116.261 0.300 1 655 63 63 ARG H H 9.507 0.030 1 656 63 63 ARG HA H 4.432 0.030 1 657 63 63 ARG HB2 H 2.634 0.030 2 658 63 63 ARG HB3 H 1.878 0.030 2 659 63 63 ARG HD2 H 3.291 0.030 1 660 63 63 ARG HD3 H 3.291 0.030 1 661 63 63 ARG HG2 H 1.732 0.030 2 662 63 63 ARG HG3 H 1.162 0.030 2 663 63 63 ARG C C 175.322 0.300 1 664 63 63 ARG CA C 58.017 0.300 1 665 63 63 ARG CB C 31.042 0.300 1 666 63 63 ARG CD C 42.909 0.300 1 667 63 63 ARG CG C 29.097 0.300 1 668 64 64 LYS H H 8.049 0.030 1 669 64 64 LYS HA H 4.876 0.030 1 670 64 64 LYS HB2 H 1.477 0.030 2 671 64 64 LYS HB3 H 2.082 0.030 2 672 64 64 LYS HD2 H 1.608 0.030 2 673 64 64 LYS HD3 H 1.670 0.030 2 674 64 64 LYS HE2 H 2.940 0.030 1 675 64 64 LYS HE3 H 2.940 0.030 1 676 64 64 LYS HG2 H 1.159 0.030 2 677 64 64 LYS HG3 H 1.559 0.030 2 678 64 64 LYS C C 174.824 0.300 1 679 64 64 LYS CA C 56.665 0.300 1 680 64 64 LYS CB C 34.161 0.300 1 681 64 64 LYS CD C 29.640 0.300 1 682 64 64 LYS CE C 42.024 0.300 1 683 64 64 LYS CG C 26.519 0.300 1 684 64 64 LYS N N 117.140 0.300 1 685 65 65 HIS H H 9.600 0.030 1 686 65 65 HIS HA H 4.920 0.030 1 687 65 65 HIS HB2 H 3.304 0.030 2 688 65 65 HIS HB3 H 3.219 0.030 2 689 65 65 HIS HD2 H 6.845 0.030 1 690 65 65 HIS HE1 H 8.000 0.030 1 691 65 65 HIS C C 175.003 0.300 1 692 65 65 HIS CA C 56.612 0.300 1 693 65 65 HIS CB C 34.452 0.300 1 694 65 65 HIS CD2 C 115.752 0.300 1 695 65 65 HIS CE1 C 138.746 0.300 1 696 65 65 HIS N N 126.919 0.300 1 697 66 66 ARG H H 9.058 0.030 1 698 66 66 ARG HA H 5.935 0.030 1 699 66 66 ARG HB2 H 1.388 0.030 2 700 66 66 ARG HB3 H 1.300 0.030 2 701 66 66 ARG HD2 H 2.873 0.030 1 702 66 66 ARG HD3 H 2.873 0.030 1 703 66 66 ARG HG2 H 1.722 0.030 2 704 66 66 ARG HG3 H 1.353 0.030 2 705 66 66 ARG C C 172.932 0.300 1 706 66 66 ARG CA C 53.802 0.300 1 707 66 66 ARG CB C 35.423 0.300 1 708 66 66 ARG CD C 44.118 0.300 1 709 66 66 ARG CG C 28.177 0.300 1 710 66 66 ARG N N 121.524 0.300 1 711 67 67 LEU H H 7.950 0.030 1 712 67 67 LEU HA H 4.365 0.030 1 713 67 67 LEU HB2 H -1.065 0.030 2 714 67 67 LEU HB3 H -0.101 0.030 2 715 67 67 LEU HD1 H 0.378 0.030 1 716 67 67 LEU HD2 H 0.017 0.030 1 717 67 67 LEU HG H 0.808 0.030 1 718 67 67 LEU C C 174.656 0.300 1 719 67 67 LEU CA C 53.856 0.300 1 720 67 67 LEU CB C 41.410 0.300 1 721 67 67 LEU CD1 C 27.394 0.300 2 722 67 67 LEU CD2 C 23.922 0.300 2 723 67 67 LEU CG C 27.287 0.300 1 724 67 67 LEU N N 125.001 0.300 1 725 68 68 ILE H H 9.370 0.030 1 726 68 68 ILE HA H 4.809 0.030 1 727 68 68 ILE HB H 1.466 0.030 1 728 68 68 ILE HD1 H 0.580 0.030 1 729 68 68 ILE HG12 H 1.158 0.030 2 730 68 68 ILE HG13 H 0.830 0.030 2 731 68 68 ILE HG2 H 0.495 0.030 1 732 68 68 ILE C C 174.918 0.300 1 733 68 68 ILE CA C 59.263 0.300 1 734 68 68 ILE CB C 41.715 0.300 1 735 68 68 ILE CD1 C 14.734 0.300 1 736 68 68 ILE CG1 C 28.444 0.300 1 737 68 68 ILE CG2 C 16.720 0.300 1 738 68 68 ILE N N 125.915 0.300 1 739 69 69 LEU H H 8.825 0.030 1 740 69 69 LEU HA H 4.972 0.030 1 741 69 69 LEU HB2 H 1.238 0.030 2 742 69 69 LEU HB3 H 1.652 0.030 2 743 69 69 LEU HD1 H 0.472 0.030 1 744 69 69 LEU HD2 H 0.827 0.030 1 745 69 69 LEU HG H 1.106 0.030 1 746 69 69 LEU C C 174.656 0.300 1 747 69 69 LEU CA C 50.388 0.300 1 748 69 69 LEU CB C 40.985 0.300 1 749 69 69 LEU CD1 C 24.936 0.300 2 750 69 69 LEU CD2 C 24.252 0.300 2 751 69 69 LEU CG C 25.644 0.300 1 752 69 69 LEU N N 127.551 0.300 1 753 70 70 PRO HA H 3.814 0.030 1 754 70 70 PRO HB2 H 2.310 0.030 2 755 70 70 PRO HB3 H 1.816 0.030 2 756 70 70 PRO HD2 H 3.777 0.030 2 757 70 70 PRO HD3 H 3.463 0.030 2 758 70 70 PRO HG2 H 1.665 0.030 2 759 70 70 PRO HG3 H 2.093 0.030 2 760 70 70 PRO C C 176.068 0.300 1 761 70 70 PRO CA C 65.000 0.300 1 762 70 70 PRO CB C 33.031 0.300 1 763 70 70 PRO CD C 50.735 0.300 1 764 70 70 PRO CG C 27.408 0.300 1 765 71 71 GLU H H 8.345 0.030 1 766 71 71 GLU HA H 3.867 0.030 1 767 71 71 GLU HB2 H 1.690 0.030 2 768 71 71 GLU HB3 H 1.829 0.030 2 769 71 71 GLU HG2 H 2.157 0.030 2 770 71 71 GLU HG3 H 1.987 0.030 2 771 71 71 GLU C C 173.873 0.300 1 772 71 71 GLU CA C 54.723 0.300 1 773 71 71 GLU CB C 30.668 0.300 1 774 71 71 GLU CG C 36.623 0.300 1 775 71 71 GLU N N 116.935 0.300 1 776 72 72 ALA H H 8.317 0.030 1 777 72 72 ALA HA H 4.170 0.030 1 778 72 72 ALA HB H 1.246 0.030 1 779 72 72 ALA C C 177.298 0.300 1 780 72 72 ALA CA C 53.606 0.300 1 781 72 72 ALA CB C 19.972 0.300 1 782 72 72 ALA N N 127.256 0.300 1 783 73 73 LYS H H 9.866 0.030 1 784 73 73 LYS HA H 4.788 0.030 1 785 73 73 LYS HB2 H 2.102 0.030 2 786 73 73 LYS HB3 H 1.625 0.030 2 787 73 73 LYS HD2 H 1.723 0.030 1 788 73 73 LYS HD3 H 1.723 0.030 1 789 73 73 LYS HE2 H 3.012 0.030 1 790 73 73 LYS HE3 H 3.012 0.030 1 791 73 73 LYS HG2 H 1.554 0.030 1 792 73 73 LYS HG3 H 1.554 0.030 1 793 73 73 LYS C C 177.776 0.300 1 794 73 73 LYS CA C 54.222 0.300 1 795 73 73 LYS CB C 35.795 0.300 1 796 73 73 LYS CD C 28.991 0.300 1 797 73 73 LYS CE C 42.140 0.300 1 798 73 73 LYS CG C 24.670 0.300 1 799 73 73 LYS N N 123.007 0.300 1 800 74 74 VAL H H 8.896 0.030 1 801 74 74 VAL HA H 3.732 0.030 1 802 74 74 VAL HB H 2.030 0.030 1 803 74 74 VAL HG1 H 1.056 0.030 1 804 74 74 VAL HG2 H 1.040 0.030 1 805 74 74 VAL C C 179.972 0.300 1 806 74 74 VAL CA C 66.849 0.300 1 807 74 74 VAL CB C 31.576 0.300 1 808 74 74 VAL CG1 C 22.254 0.300 2 809 74 74 VAL CG2 C 21.096 0.300 2 810 74 74 VAL N N 122.501 0.300 1 811 75 75 GLN H H 8.613 0.030 1 812 75 75 GLN HA H 4.324 0.030 1 813 75 75 GLN HB2 H 2.166 0.030 2 814 75 75 GLN HB3 H 2.105 0.030 2 815 75 75 GLN HE21 H 7.668 0.030 2 816 75 75 GLN HE22 H 6.907 0.030 2 817 75 75 GLN HG2 H 2.470 0.030 1 818 75 75 GLN HG3 H 2.470 0.030 1 819 75 75 GLN C C 176.324 0.300 1 820 75 75 GLN CA C 58.038 0.300 1 821 75 75 GLN CB C 27.596 0.300 1 822 75 75 GLN CG C 33.966 0.300 1 823 75 75 GLN N N 116.760 0.300 1 824 75 75 GLN NE2 N 112.499 0.300 1 825 76 76 ASP H H 8.285 0.030 1 826 76 76 ASP HA H 4.578 0.030 1 827 76 76 ASP HB2 H 2.969 0.030 2 828 76 76 ASP HB3 H 2.898 0.030 2 829 76 76 ASP C C 174.074 0.300 1 830 76 76 ASP CA C 56.527 0.300 1 831 76 76 ASP CB C 42.123 0.300 1 832 76 76 ASP N N 120.120 0.300 1 833 77 77 SER H H 7.608 0.030 1 834 77 77 SER HA H 4.427 0.030 1 835 77 77 SER HB2 H 4.049 0.030 2 836 77 77 SER HB3 H 4.350 0.030 2 837 77 77 SER C C 174.034 0.300 1 838 77 77 SER CA C 60.404 0.300 1 839 77 77 SER CB C 64.796 0.300 1 840 77 77 SER N N 111.159 0.300 1 841 78 78 GLY H H 9.359 0.030 1 842 78 78 GLY HA2 H 4.276 0.030 2 843 78 78 GLY HA3 H 4.065 0.030 2 844 78 78 GLY C C 170.638 0.300 1 845 78 78 GLY CA C 45.342 0.300 1 846 78 78 GLY N N 112.306 0.300 1 847 79 79 GLU H H 8.926 0.030 1 848 79 79 GLU HA H 5.394 0.030 1 849 79 79 GLU HB2 H 2.341 0.030 2 850 79 79 GLU HB3 H 2.025 0.030 2 851 79 79 GLU HG2 H 2.269 0.030 2 852 79 79 GLU HG3 H 2.241 0.030 2 853 79 79 GLU C C 176.319 0.300 1 854 79 79 GLU CA C 55.118 0.300 1 855 79 79 GLU CB C 30.998 0.300 1 856 79 79 GLU CG C 37.794 0.300 1 857 79 79 GLU N N 121.562 0.300 1 858 80 80 PHE H H 9.934 0.030 1 859 80 80 PHE HA H 5.713 0.030 1 860 80 80 PHE HB2 H 3.366 0.030 2 861 80 80 PHE HB3 H 3.098 0.030 2 862 80 80 PHE HD1 H 7.214 0.030 1 863 80 80 PHE HD2 H 7.214 0.030 1 864 80 80 PHE HE1 H 7.310 0.030 1 865 80 80 PHE HE2 H 7.310 0.030 1 866 80 80 PHE HZ H 7.510 0.030 1 867 80 80 PHE C C 174.912 0.300 1 868 80 80 PHE CA C 57.582 0.300 1 869 80 80 PHE CB C 42.630 0.300 1 870 80 80 PHE CD1 C 131.922 0.300 1 871 80 80 PHE CD2 C 131.922 0.300 1 872 80 80 PHE CE1 C 130.627 0.300 1 873 80 80 PHE CE2 C 130.627 0.300 1 874 80 80 PHE CZ C 130.822 0.300 1 875 80 80 PHE N N 128.947 0.300 1 876 81 81 GLU H H 9.798 0.030 1 877 81 81 GLU HA H 5.391 0.030 1 878 81 81 GLU HB2 H 2.051 0.030 2 879 81 81 GLU HB3 H 1.830 0.030 2 880 81 81 GLU HG2 H 1.257 0.030 2 881 81 81 GLU HG3 H 1.463 0.030 2 882 81 81 GLU C C 174.666 0.300 1 883 81 81 GLU CA C 53.194 0.300 1 884 81 81 GLU CB C 34.742 0.300 1 885 81 81 GLU CG C 35.472 0.300 1 886 81 81 GLU N N 124.534 0.300 1 887 82 82 CYS H H 8.814 0.030 1 888 82 82 CYS HA H 3.723 0.030 1 889 82 82 CYS HB2 H 0.522 0.030 2 890 82 82 CYS HB3 H 2.069 0.030 2 891 82 82 CYS C C 172.559 0.300 1 892 82 82 CYS CA C 58.382 0.300 1 893 82 82 CYS CB C 25.664 0.300 1 894 82 82 CYS N N 128.251 0.300 1 895 83 83 ARG H H 9.105 0.030 1 896 83 83 ARG HA H 4.806 0.030 1 897 83 83 ARG HB2 H 1.953 0.030 2 898 83 83 ARG HB3 H 1.474 0.030 2 899 83 83 ARG HD2 H 2.661 0.030 2 900 83 83 ARG HD3 H 3.066 0.030 2 901 83 83 ARG HE H 6.955 0.030 1 902 83 83 ARG HG2 H 1.488 0.030 1 903 83 83 ARG HG3 H 1.488 0.030 1 904 83 83 ARG C C 176.244 0.300 1 905 83 83 ARG CA C 55.546 0.300 1 906 83 83 ARG CB C 33.738 0.300 1 907 83 83 ARG CD C 43.420 0.300 1 908 83 83 ARG CG C 25.563 0.300 1 909 83 83 ARG N N 129.568 0.300 1 910 83 83 ARG NE N 83.119 0.300 1 911 84 84 THR H H 8.461 0.030 1 912 84 84 THR HA H 4.889 0.030 1 913 84 84 THR HB H 3.911 0.030 1 914 84 84 THR HG2 H 0.994 0.030 1 915 84 84 THR C C 172.958 0.300 1 916 84 84 THR CA C 59.179 0.300 1 917 84 84 THR CB C 70.071 0.300 1 918 84 84 THR CG2 C 19.926 0.300 1 919 84 84 THR N N 124.109 0.300 1 920 85 85 GLU H H 8.326 0.030 1 921 85 85 GLU HA H 4.140 0.030 1 922 85 85 GLU HB2 H 2.167 0.030 2 923 85 85 GLU HB3 H 2.120 0.030 2 924 85 85 GLU HG2 H 2.284 0.030 1 925 85 85 GLU HG3 H 2.284 0.030 1 926 85 85 GLU C C 175.960 0.300 1 927 85 85 GLU CA C 57.488 0.300 1 928 85 85 GLU CB C 29.304 0.300 1 929 85 85 GLU CG C 36.090 0.300 1 930 85 85 GLU N N 123.456 0.300 1 931 86 86 GLY H H 8.398 0.030 1 932 86 86 GLY HA2 H 4.167 0.030 2 933 86 86 GLY HA3 H 3.778 0.030 2 934 86 86 GLY C C 173.390 0.300 1 935 86 86 GLY CA C 46.005 0.300 1 936 86 86 GLY N N 114.177 0.300 1 937 87 87 VAL H H 7.270 0.030 1 938 87 87 VAL HA H 4.606 0.030 1 939 87 87 VAL HB H 2.201 0.030 1 940 87 87 VAL HG1 H 0.847 0.030 1 941 87 87 VAL HG2 H 0.827 0.030 1 942 87 87 VAL C C 172.600 0.300 1 943 87 87 VAL CA C 60.697 0.300 1 944 87 87 VAL CB C 35.276 0.300 1 945 87 87 VAL CG1 C 21.404 0.300 2 946 87 87 VAL CG2 C 19.972 0.300 2 947 87 87 VAL N N 116.171 0.300 1 948 88 88 SER H H 7.876 0.030 1 949 88 88 SER HA H 5.370 0.030 1 950 88 88 SER HB2 H 3.217 0.030 2 951 88 88 SER HB3 H 3.123 0.030 2 952 88 88 SER C C 172.005 0.300 1 953 88 88 SER CA C 57.124 0.300 1 954 88 88 SER CB C 68.060 0.300 1 955 88 88 SER N N 116.943 0.300 1 956 89 89 ALA H H 8.233 0.030 1 957 89 89 ALA HA H 4.663 0.030 1 958 89 89 ALA HB H 1.251 0.030 1 959 89 89 ALA CA C 49.717 0.300 1 960 89 89 ALA CB C 23.306 0.300 1 961 89 89 ALA N N 123.596 0.300 1 962 90 90 PHE H H 8.708 0.030 1 963 90 90 PHE HA H 5.401 0.030 1 964 90 90 PHE HB2 H 2.975 0.030 2 965 90 90 PHE HB3 H 2.537 0.030 2 966 90 90 PHE HD1 H 7.133 0.030 1 967 90 90 PHE HD2 H 7.133 0.030 1 968 90 90 PHE HE1 H 7.132 0.030 1 969 90 90 PHE HE2 H 7.132 0.030 1 970 90 90 PHE HZ H 7.102 0.030 1 971 90 90 PHE C C 173.984 0.300 1 972 90 90 PHE CA C 57.687 0.300 1 973 90 90 PHE CB C 43.619 0.300 1 974 90 90 PHE CD1 C 131.362 0.300 1 975 90 90 PHE CD2 C 131.362 0.300 1 976 90 90 PHE CE1 C 131.270 0.300 1 977 90 90 PHE CE2 C 131.270 0.300 1 978 90 90 PHE CZ C 129.442 0.300 1 979 90 90 PHE N N 118.196 0.300 1 980 91 91 PHE H H 9.556 0.030 1 981 91 91 PHE HA H 5.271 0.030 1 982 91 91 PHE HB2 H 3.390 0.030 2 983 91 91 PHE HB3 H 2.870 0.030 2 984 91 91 PHE HD1 H 7.299 0.030 1 985 91 91 PHE HD2 H 7.299 0.030 1 986 91 91 PHE HE1 H 7.291 0.030 1 987 91 91 PHE HE2 H 7.291 0.030 1 988 91 91 PHE HZ H 7.074 0.030 1 989 91 91 PHE C C 175.714 0.300 1 990 91 91 PHE CA C 55.435 0.300 1 991 91 91 PHE CB C 42.543 0.300 1 992 91 91 PHE CD1 C 132.899 0.300 1 993 91 91 PHE CD2 C 132.899 0.300 1 994 91 91 PHE CE1 C 131.201 0.300 1 995 91 91 PHE CE2 C 131.201 0.300 1 996 91 91 PHE CZ C 128.669 0.300 1 997 91 91 PHE N N 117.949 0.300 1 998 92 92 GLY H H 9.972 0.030 1 999 92 92 GLY HA2 H 4.851 0.030 2 1000 92 92 GLY HA3 H 3.869 0.030 2 1001 92 92 GLY C C 173.044 0.300 1 1002 92 92 GLY CA C 46.563 0.300 1 1003 92 92 GLY N N 114.704 0.300 1 1004 93 93 VAL H H 9.262 0.030 1 1005 93 93 VAL HA H 4.827 0.030 1 1006 93 93 VAL HB H 2.667 0.030 1 1007 93 93 VAL HG1 H 1.110 0.030 1 1008 93 93 VAL HG2 H 0.925 0.030 1 1009 93 93 VAL C C 175.880 0.300 1 1010 93 93 VAL CA C 62.783 0.300 1 1011 93 93 VAL CB C 34.716 0.300 1 1012 93 93 VAL CG1 C 23.483 0.300 2 1013 93 93 VAL CG2 C 21.363 0.300 2 1014 93 93 VAL N N 127.779 0.300 1 1015 94 94 THR H H 8.838 0.030 1 1016 94 94 THR HA H 4.554 0.030 1 1017 94 94 THR HB H 4.162 0.030 1 1018 94 94 THR HG2 H 1.233 0.030 1 1019 94 94 THR C C 172.075 0.300 1 1020 94 94 THR CA C 62.785 0.300 1 1021 94 94 THR CB C 70.578 0.300 1 1022 94 94 THR CG2 C 21.354 0.300 1 1023 94 94 THR N N 126.448 0.300 1 1024 95 95 VAL H H 8.830 0.030 1 1025 95 95 VAL HA H 4.599 0.030 1 1026 95 95 VAL HB H 1.971 0.030 1 1027 95 95 VAL HG1 H 0.428 0.030 1 1028 95 95 VAL HG2 H 0.668 0.030 1 1029 95 95 VAL C C 174.579 0.300 1 1030 95 95 VAL CA C 60.685 0.300 1 1031 95 95 VAL CB C 32.410 0.300 1 1032 95 95 VAL CG1 C 20.794 0.300 2 1033 95 95 VAL CG2 C 20.227 0.300 2 1034 95 95 VAL N N 129.070 0.300 1 1035 96 96 GLN H H 8.734 0.030 1 1036 96 96 GLN HA H 4.804 0.030 1 1037 96 96 GLN HB2 H 1.965 0.030 1 1038 96 96 GLN HB3 H 1.965 0.030 1 1039 96 96 GLN HE21 H 7.404 0.030 2 1040 96 96 GLN HE22 H 6.786 0.030 2 1041 96 96 GLN HG2 H 2.268 0.030 1 1042 96 96 GLN HG3 H 2.268 0.030 1 1043 96 96 GLN C C 175.095 0.300 1 1044 96 96 GLN CA C 53.575 0.300 1 1045 96 96 GLN CB C 32.300 0.300 1 1046 96 96 GLN CG C 33.324 0.300 1 1047 96 96 GLN N N 123.546 0.300 1 1048 96 96 GLN NE2 N 111.226 0.300 1 1049 97 97 ASP H H 8.672 0.030 1 1050 97 97 ASP HA H 4.989 0.030 1 1051 97 97 ASP HB2 H 2.448 0.030 2 1052 97 97 ASP HB3 H 2.804 0.030 2 1053 97 97 ASP C C 175.150 0.300 1 1054 97 97 ASP CA C 52.581 0.300 1 1055 97 97 ASP CB C 40.597 0.300 1 1056 97 97 ASP N N 123.114 0.300 1 1057 98 98 PRO HA H 4.528 0.030 1 1058 98 98 PRO HB2 H 2.329 0.030 2 1059 98 98 PRO HB3 H 2.040 0.030 2 1060 98 98 PRO HD2 H 3.832 0.030 2 1061 98 98 PRO HD3 H 3.920 0.030 2 1062 98 98 PRO HG2 H 2.090 0.030 1 1063 98 98 PRO HG3 H 2.090 0.030 1 1064 98 98 PRO C C 176.907 0.300 1 1065 98 98 PRO CA C 63.397 0.300 1 1066 98 98 PRO CB C 32.072 0.300 1 1067 98 98 PRO CD C 50.700 0.300 1 1068 98 98 PRO CG C 27.215 0.300 1 1069 99 99 SER H H 8.493 0.030 1 1070 99 99 SER HA H 4.467 0.030 1 1071 99 99 SER HB2 H 3.896 0.030 1 1072 99 99 SER HB3 H 3.896 0.030 1 1073 99 99 SER C C 174.699 0.300 1 1074 99 99 SER CA C 58.452 0.300 1 1075 99 99 SER CB C 63.929 0.300 1 1076 99 99 SER N N 116.055 0.300 1 1077 100 100 GLY H H 8.167 0.030 1 1078 100 100 GLY HA2 H 4.185 0.030 2 1079 100 100 GLY HA3 H 4.088 0.030 2 1080 100 100 GLY C C 171.775 0.300 1 1081 100 100 GLY CA C 44.670 0.300 1 1082 100 100 GLY N N 110.525 0.300 1 1083 101 101 PRO HA H 4.528 0.030 1 1084 101 101 PRO HB2 H 2.329 0.030 2 1085 101 101 PRO HB3 H 2.043 0.030 2 1086 101 101 PRO HD2 H 3.644 0.030 1 1087 101 101 PRO HD3 H 3.644 0.030 1 1088 101 101 PRO HG2 H 2.035 0.030 1 1089 101 101 PRO HG3 H 2.035 0.030 1 1090 101 101 PRO C C 177.403 0.300 1 1091 101 101 PRO CA C 63.381 0.300 1 1092 101 101 PRO CB C 32.033 0.300 1 1093 101 101 PRO CD C 49.730 0.300 1 1094 101 101 PRO CG C 27.170 0.300 1 1095 102 102 SER H H 8.530 0.030 1 1096 102 102 SER HA H 4.521 0.030 1 1097 102 102 SER HB2 H 3.923 0.030 1 1098 102 102 SER HB3 H 3.923 0.030 1 1099 102 102 SER C C 174.723 0.300 1 1100 102 102 SER CA C 58.362 0.300 1 1101 102 102 SER CB C 63.868 0.300 1 1102 102 102 SER N N 116.485 0.300 1 1103 103 103 SER H H 8.349 0.030 1 1104 103 103 SER HA H 4.502 0.030 1 1105 103 103 SER HB2 H 3.904 0.030 1 1106 103 103 SER HB3 H 3.904 0.030 1 1107 103 103 SER C C 173.949 0.300 1 1108 103 103 SER CA C 58.362 0.300 1 1109 103 103 SER CB C 64.112 0.300 1 1110 103 103 SER N N 117.966 0.300 1 1111 104 104 GLY H H 8.052 0.030 1 1112 104 104 GLY HA2 H 3.798 0.030 2 1113 104 104 GLY HA3 H 3.767 0.030 2 1114 104 104 GLY C C 179.036 0.300 1 1115 104 104 GLY CA C 46.283 0.300 1 1116 104 104 GLY N N 116.904 0.300 1 stop_ save_