data_11286 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the BSD domain of human Synapse associated protein 1 ; _BMRB_accession_number 11286 _BMRB_flat_file_name bmr11286.str _Entry_type original _Submission_date 2010-08-09 _Accession_date 2010-08-09 _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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 440 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-18 original author . stop_ _Original_release_date 2011-08-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the BSD domain of human Synapse associated 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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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 'Synapse associated protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BSD 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 'BSD domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GSSGSSGTNDEETIQQQILA LSADKRNFLRDPPAGVQFNF DFDQMYPVALVMLQEDELLS KMRFALVPKLVKEEVFWRNY FYRVSLIKQSAQLTSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 ASN 10 ASP 11 GLU 12 GLU 13 THR 14 ILE 15 GLN 16 GLN 17 GLN 18 ILE 19 LEU 20 ALA 21 LEU 22 SER 23 ALA 24 ASP 25 LYS 26 ARG 27 ASN 28 PHE 29 LEU 30 ARG 31 ASP 32 PRO 33 PRO 34 ALA 35 GLY 36 VAL 37 GLN 38 PHE 39 ASN 40 PHE 41 ASP 42 PHE 43 ASP 44 GLN 45 MET 46 TYR 47 PRO 48 VAL 49 ALA 50 LEU 51 VAL 52 MET 53 LEU 54 GLN 55 GLU 56 ASP 57 GLU 58 LEU 59 LEU 60 SER 61 LYS 62 MET 63 ARG 64 PHE 65 ALA 66 LEU 67 VAL 68 PRO 69 LYS 70 LEU 71 VAL 72 LYS 73 GLU 74 GLU 75 VAL 76 PHE 77 TRP 78 ARG 79 ASN 80 TYR 81 PHE 82 TYR 83 ARG 84 VAL 85 SER 86 LEU 87 ILE 88 LYS 89 GLN 90 SER 91 ALA 92 GLN 93 LEU 94 THR 95 SER 96 GLY 97 PRO 98 SER 99 SER 100 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1X3A "Solution Structure Of The Bsd Domain Of Human Synapse Associated Protein 1" 100.00 100 100.00 100.00 1.14e-65 DBJ BAB55087 "unnamed protein product [Homo sapiens]" 88.00 352 98.86 100.00 4.69e-54 DBJ BAD96576 "SYAP1 protein variant [Homo sapiens]" 88.00 352 98.86 100.00 4.31e-54 DBJ BAG37229 "unnamed protein product [Homo sapiens]" 88.00 352 97.73 98.86 1.97e-53 DBJ BAG58299 "unnamed protein product [Homo sapiens]" 51.00 186 98.04 100.00 4.19e-26 DBJ BAG64741 "unnamed protein product [Homo sapiens]" 88.00 318 98.86 100.00 6.44e-55 EMBL CAH18697 "hypothetical protein [Homo sapiens]" 88.00 352 98.86 100.00 4.75e-54 EMBL CAH90135 "hypothetical protein [Pongo abelii]" 88.00 352 98.86 100.00 2.72e-54 GB AAH14657 "Synapse associated protein 1, SAP47 homolog (Drosophila) [Homo sapiens]" 88.00 352 98.86 100.00 4.60e-54 GB AAK69273 "SYAP1 [Homo sapiens]" 88.00 352 98.86 100.00 4.75e-54 GB AAK81893 "SYAP1 [Homo sapiens]" 88.00 352 98.86 100.00 4.75e-54 GB ACE87132 "synapse associated protein 1, SAP47 homolog (Drosophila) protein [synthetic construct]" 88.00 352 98.86 100.00 4.60e-54 GB AIC57513 "SYAP1, partial [synthetic construct]" 88.00 352 98.86 100.00 4.60e-54 REF NP_001125031 "synapse-associated protein 1 [Pongo abelii]" 88.00 352 98.86 100.00 2.72e-54 REF NP_116185 "synapse-associated protein 1 [Homo sapiens]" 88.00 352 98.86 100.00 4.75e-54 REF XP_001097183 "PREDICTED: synapse-associated protein 1-like [Macaca mulatta]" 51.00 186 98.04 100.00 4.19e-26 REF XP_002762707 "PREDICTED: synapse-associated protein 1 [Callithrix jacchus]" 88.00 358 97.73 100.00 1.40e-53 REF XP_003819572 "PREDICTED: synapse-associated protein 1 [Pan paniscus]" 88.00 352 98.86 100.00 4.13e-54 SP Q96A49 "RecName: Full=Synapse-associated protein 1" 88.00 352 98.86 100.00 4.75e-54 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_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P040531-07 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.03mM BSD domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.03 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_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . 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 0.921 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 Bruker _Model AVANCE _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 296 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 $XWINNMR $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 'BSD 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 2 2 SER C C 174.712 0.300 1 2 2 2 SER CA C 58.372 0.300 1 3 2 2 SER CB C 63.767 0.300 1 4 3 3 SER H H 8.346 0.030 1 5 3 3 SER C C 173.962 0.300 1 6 3 3 SER CA C 58.383 0.300 1 7 3 3 SER CB C 64.105 0.300 1 8 3 3 SER N N 117.890 0.300 1 9 4 4 GLY H H 8.054 0.030 1 10 4 4 GLY C C 179.025 0.300 1 11 4 4 GLY CA C 46.351 0.300 1 12 4 4 GLY N N 116.882 0.300 1 13 6 6 SER HA H 4.516 0.030 1 14 6 6 SER HB2 H 3.928 0.030 1 15 6 6 SER HB3 H 3.928 0.030 1 16 6 6 SER C C 175.037 0.300 1 17 6 6 SER CA C 58.650 0.300 1 18 6 6 SER CB C 63.834 0.300 1 19 7 7 GLY H H 8.476 0.030 1 20 7 7 GLY HA2 H 4.037 0.030 1 21 7 7 GLY HA3 H 4.037 0.030 1 22 7 7 GLY C C 174.342 0.300 1 23 7 7 GLY CA C 45.423 0.300 1 24 7 7 GLY N N 110.945 0.300 1 25 8 8 THR H H 8.095 0.030 1 26 8 8 THR HA H 4.399 0.030 1 27 8 8 THR HB H 4.236 0.030 1 28 8 8 THR HG2 H 1.178 0.030 1 29 8 8 THR C C 174.458 0.300 1 30 8 8 THR CA C 61.716 0.300 1 31 8 8 THR CB C 69.960 0.300 1 32 8 8 THR CG2 C 21.637 0.300 1 33 8 8 THR N N 113.290 0.300 1 34 9 9 ASN H H 8.561 0.030 1 35 9 9 ASN HA H 4.779 0.030 1 36 9 9 ASN HB2 H 2.839 0.030 2 37 9 9 ASN HB3 H 2.775 0.030 2 38 9 9 ASN HD21 H 7.616 0.030 2 39 9 9 ASN HD22 H 6.934 0.030 2 40 9 9 ASN C C 175.113 0.300 1 41 9 9 ASN CA C 53.302 0.300 1 42 9 9 ASN CB C 38.964 0.300 1 43 9 9 ASN N N 120.990 0.300 1 44 9 9 ASN ND2 N 112.969 0.300 1 45 10 10 ASP H H 8.384 0.030 1 46 10 10 ASP HA H 4.565 0.030 1 47 10 10 ASP HB2 H 2.716 0.030 2 48 10 10 ASP HB3 H 2.669 0.030 2 49 10 10 ASP C C 176.512 0.300 1 50 10 10 ASP CA C 54.959 0.300 1 51 10 10 ASP CB C 41.096 0.300 1 52 10 10 ASP N N 121.134 0.300 1 53 11 11 GLU H H 8.423 0.030 1 54 11 11 GLU HA H 4.121 0.030 1 55 11 11 GLU HB2 H 2.042 0.030 1 56 11 11 GLU HB3 H 2.042 0.030 1 57 11 11 GLU HG2 H 2.299 0.030 1 58 11 11 GLU HG3 H 2.299 0.030 1 59 11 11 GLU C C 177.827 0.300 1 60 11 11 GLU CA C 58.277 0.300 1 61 11 11 GLU CB C 29.880 0.300 1 62 11 11 GLU CG C 36.530 0.300 1 63 11 11 GLU N N 120.450 0.300 1 64 12 12 GLU H H 8.401 0.030 1 65 12 12 GLU HA H 4.251 0.030 1 66 12 12 GLU HB2 H 2.053 0.030 1 67 12 12 GLU HB3 H 2.053 0.030 1 68 12 12 GLU HG2 H 2.322 0.030 2 69 12 12 GLU HG3 H 2.248 0.030 2 70 12 12 GLU C C 178.191 0.300 1 71 12 12 GLU CA C 58.234 0.300 1 72 12 12 GLU CB C 29.972 0.300 1 73 12 12 GLU CG C 36.593 0.300 1 74 12 12 GLU N N 121.137 0.300 1 75 13 13 THR H H 8.171 0.030 1 76 13 13 THR HA H 4.146 0.030 1 77 13 13 THR HB H 4.409 0.030 1 78 13 13 THR HG2 H 1.264 0.030 1 79 13 13 THR C C 176.409 0.300 1 80 13 13 THR CA C 64.268 0.300 1 81 13 13 THR CB C 69.483 0.300 1 82 13 13 THR CG2 C 21.794 0.300 1 83 13 13 THR N N 115.434 0.300 1 84 14 14 ILE H H 8.097 0.030 1 85 14 14 ILE HA H 3.647 0.030 1 86 14 14 ILE HB H 1.934 0.030 1 87 14 14 ILE HD1 H 0.809 0.030 1 88 14 14 ILE HG12 H 1.586 0.030 2 89 14 14 ILE HG13 H 1.169 0.030 2 90 14 14 ILE HG2 H 0.858 0.030 1 91 14 14 ILE C C 177.638 0.300 1 92 14 14 ILE CA C 64.507 0.300 1 93 14 14 ILE CB C 37.439 0.300 1 94 14 14 ILE CD1 C 12.710 0.300 1 95 14 14 ILE CG1 C 28.723 0.300 1 96 14 14 ILE CG2 C 17.488 0.300 1 97 14 14 ILE N N 122.228 0.300 1 98 15 15 GLN H H 8.156 0.030 1 99 15 15 GLN HA H 4.035 0.030 1 100 15 15 GLN HB2 H 2.170 0.030 2 101 15 15 GLN HB3 H 2.091 0.030 2 102 15 15 GLN HE21 H 7.389 0.030 2 103 15 15 GLN HE22 H 6.908 0.030 2 104 15 15 GLN HG2 H 2.472 0.030 2 105 15 15 GLN HG3 H 2.452 0.030 2 106 15 15 GLN C C 178.736 0.300 1 107 15 15 GLN CA C 59.146 0.300 1 108 15 15 GLN CB C 27.902 0.300 1 109 15 15 GLN CG C 33.431 0.300 1 110 15 15 GLN N N 118.568 0.300 1 111 15 15 GLN NE2 N 111.177 0.300 1 112 16 16 GLN H H 8.082 0.030 1 113 16 16 GLN HA H 3.975 0.030 1 114 16 16 GLN HB2 H 2.262 0.030 2 115 16 16 GLN HB3 H 2.138 0.030 2 116 16 16 GLN HE21 H 7.545 0.030 2 117 16 16 GLN HE22 H 6.860 0.030 2 118 16 16 GLN HG2 H 2.528 0.030 2 119 16 16 GLN HG3 H 2.480 0.030 2 120 16 16 GLN C C 179.347 0.300 1 121 16 16 GLN CA C 59.096 0.300 1 122 16 16 GLN CB C 28.336 0.300 1 123 16 16 GLN CG C 34.088 0.300 1 124 16 16 GLN N N 117.826 0.300 1 125 16 16 GLN NE2 N 112.220 0.300 1 126 17 17 GLN H H 8.073 0.030 1 127 17 17 GLN HA H 4.003 0.030 1 128 17 17 GLN HB2 H 2.262 0.030 2 129 17 17 GLN HB3 H 1.992 0.030 2 130 17 17 GLN HE21 H 6.977 0.030 2 131 17 17 GLN HE22 H 6.804 0.030 2 132 17 17 GLN HG2 H 2.602 0.030 2 133 17 17 GLN HG3 H 2.262 0.030 2 134 17 17 GLN C C 179.112 0.300 1 135 17 17 GLN CA C 59.196 0.300 1 136 17 17 GLN CB C 29.664 0.300 1 137 17 17 GLN CG C 35.001 0.300 1 138 17 17 GLN N N 119.656 0.300 1 139 17 17 GLN NE2 N 110.685 0.300 1 140 18 18 ILE H H 8.267 0.030 1 141 18 18 ILE HA H 3.526 0.030 1 142 18 18 ILE HB H 1.967 0.030 1 143 18 18 ILE HD1 H 0.807 0.030 1 144 18 18 ILE HG12 H 1.948 0.030 2 145 18 18 ILE HG13 H 0.808 0.030 2 146 18 18 ILE HG2 H 0.915 0.030 1 147 18 18 ILE C C 180.063 0.300 1 148 18 18 ILE CA C 65.455 0.300 1 149 18 18 ILE CB C 38.107 0.300 1 150 18 18 ILE CD1 C 14.403 0.300 1 151 18 18 ILE CG1 C 30.119 0.300 1 152 18 18 ILE CG2 C 17.003 0.300 1 153 18 18 ILE N N 121.061 0.300 1 154 19 19 LEU H H 8.430 0.030 1 155 19 19 LEU HA H 4.149 0.030 1 156 19 19 LEU HB2 H 1.874 0.030 2 157 19 19 LEU HB3 H 1.614 0.030 2 158 19 19 LEU HD1 H 0.962 0.030 1 159 19 19 LEU HD2 H 0.982 0.030 1 160 19 19 LEU HG H 1.850 0.030 1 161 19 19 LEU C C 179.412 0.300 1 162 19 19 LEU CA C 58.227 0.300 1 163 19 19 LEU CB C 41.728 0.300 1 164 19 19 LEU CD1 C 25.355 0.300 2 165 19 19 LEU CD2 C 22.761 0.300 2 166 19 19 LEU CG C 27.220 0.300 1 167 19 19 LEU N N 122.601 0.300 1 168 20 20 ALA H H 7.590 0.030 1 169 20 20 ALA HA H 4.215 0.030 1 170 20 20 ALA HB H 1.493 0.030 1 171 20 20 ALA C C 180.105 0.300 1 172 20 20 ALA CA C 53.857 0.300 1 173 20 20 ALA CB C 18.274 0.300 1 174 20 20 ALA N N 118.380 0.300 1 175 21 21 LEU H H 7.751 0.030 1 176 21 21 LEU HA H 4.049 0.030 1 177 21 21 LEU HB2 H 2.347 0.030 2 178 21 21 LEU HB3 H 1.025 0.030 2 179 21 21 LEU HD1 H 0.497 0.030 1 180 21 21 LEU HD2 H 0.631 0.030 1 181 21 21 LEU HG H 2.077 0.030 1 182 21 21 LEU C C 180.162 0.300 1 183 21 21 LEU CA C 57.022 0.300 1 184 21 21 LEU CB C 42.986 0.300 1 185 21 21 LEU CD1 C 27.322 0.300 2 186 21 21 LEU CD2 C 23.255 0.300 2 187 21 21 LEU CG C 26.200 0.300 1 188 21 21 LEU N N 117.987 0.300 1 189 22 22 SER H H 7.434 0.030 1 190 22 22 SER HA H 4.348 0.030 1 191 22 22 SER HB2 H 3.970 0.030 2 192 22 22 SER HB3 H 3.778 0.030 2 193 22 22 SER C C 172.222 0.300 1 194 22 22 SER CA C 60.485 0.300 1 195 22 22 SER CB C 62.655 0.300 1 196 22 22 SER N N 109.715 0.300 1 197 23 23 ALA H H 7.286 0.030 1 198 23 23 ALA HA H 4.292 0.030 1 199 23 23 ALA HB H 1.468 0.030 1 200 23 23 ALA C C 177.159 0.300 1 201 23 23 ALA CA C 52.520 0.300 1 202 23 23 ALA CB C 19.397 0.300 1 203 23 23 ALA N N 118.092 0.300 1 204 24 24 ASP H H 7.224 0.030 1 205 24 24 ASP HA H 5.008 0.030 1 206 24 24 ASP HB2 H 2.989 0.030 2 207 24 24 ASP HB3 H 2.447 0.030 2 208 24 24 ASP C C 176.432 0.300 1 209 24 24 ASP CA C 52.555 0.300 1 210 24 24 ASP CB C 43.269 0.300 1 211 24 24 ASP N N 116.145 0.300 1 212 25 25 LYS H H 9.097 0.030 1 213 25 25 LYS HA H 4.462 0.030 1 214 25 25 LYS HB2 H 1.971 0.030 2 215 25 25 LYS HB3 H 1.898 0.030 2 216 25 25 LYS HD2 H 1.648 0.030 1 217 25 25 LYS HD3 H 1.648 0.030 1 218 25 25 LYS HE2 H 2.951 0.030 1 219 25 25 LYS HE3 H 2.951 0.030 1 220 25 25 LYS HG2 H 1.679 0.030 2 221 25 25 LYS HG3 H 1.384 0.030 2 222 25 25 LYS C C 177.828 0.300 1 223 25 25 LYS CA C 58.938 0.300 1 224 25 25 LYS CB C 32.758 0.300 1 225 25 25 LYS CD C 29.692 0.300 1 226 25 25 LYS CE C 41.940 0.300 1 227 25 25 LYS CG C 24.135 0.300 1 228 25 25 LYS N N 126.068 0.300 1 229 26 26 ARG H H 8.793 0.030 1 230 26 26 ARG HA H 3.884 0.030 1 231 26 26 ARG HB2 H 1.810 0.030 2 232 26 26 ARG HB3 H 1.671 0.030 2 233 26 26 ARG HD2 H 3.274 0.030 2 234 26 26 ARG HD3 H 3.103 0.030 2 235 26 26 ARG HG2 H 1.691 0.030 1 236 26 26 ARG HG3 H 1.691 0.030 1 237 26 26 ARG C C 177.710 0.300 1 238 26 26 ARG CA C 59.513 0.300 1 239 26 26 ARG CB C 29.767 0.300 1 240 26 26 ARG CD C 43.474 0.300 1 241 26 26 ARG CG C 27.137 0.300 1 242 26 26 ARG N N 120.140 0.300 1 243 27 27 ASN H H 7.542 0.030 1 244 27 27 ASN HA H 4.182 0.030 1 245 27 27 ASN HB2 H 2.396 0.030 2 246 27 27 ASN HB3 H 1.866 0.030 2 247 27 27 ASN HD21 H 8.770 0.030 2 248 27 27 ASN HD22 H 7.736 0.030 2 249 27 27 ASN C C 172.740 0.300 1 250 27 27 ASN CA C 55.163 0.300 1 251 27 27 ASN CB C 38.182 0.300 1 252 27 27 ASN N N 113.045 0.300 1 253 27 27 ASN ND2 N 120.898 0.300 1 254 28 28 PHE H H 7.224 0.030 1 255 28 28 PHE HA H 4.049 0.030 1 256 28 28 PHE HB2 H 2.554 0.030 2 257 28 28 PHE HB3 H 2.522 0.030 2 258 28 28 PHE HD1 H 6.119 0.030 1 259 28 28 PHE HD2 H 6.119 0.030 1 260 28 28 PHE HE1 H 6.582 0.030 1 261 28 28 PHE HE2 H 6.582 0.030 1 262 28 28 PHE HZ H 6.762 0.030 1 263 28 28 PHE C C 176.336 0.300 1 264 28 28 PHE CA C 57.838 0.300 1 265 28 28 PHE CB C 41.127 0.300 1 266 28 28 PHE CD1 C 132.073 0.300 1 267 28 28 PHE CD2 C 132.073 0.300 1 268 28 28 PHE CE1 C 131.938 0.300 1 269 28 28 PHE CE2 C 131.938 0.300 1 270 28 28 PHE CZ C 128.063 0.300 1 271 28 28 PHE N N 113.598 0.300 1 272 29 29 LEU H H 7.297 0.030 1 273 29 29 LEU HA H 4.247 0.030 1 274 29 29 LEU HB2 H 1.585 0.030 1 275 29 29 LEU HB3 H 1.585 0.030 1 276 29 29 LEU HD1 H 0.843 0.030 1 277 29 29 LEU HD2 H 0.835 0.030 1 278 29 29 LEU HG H 1.795 0.030 1 279 29 29 LEU C C 177.739 0.300 1 280 29 29 LEU CA C 55.220 0.300 1 281 29 29 LEU CB C 43.767 0.300 1 282 29 29 LEU CD1 C 25.433 0.300 2 283 29 29 LEU CD2 C 23.520 0.300 2 284 29 29 LEU CG C 26.451 0.300 1 285 29 29 LEU N N 114.809 0.300 1 286 30 30 ARG H H 7.243 0.030 1 287 30 30 ARG HA H 4.387 0.030 1 288 30 30 ARG HB2 H 1.780 0.030 2 289 30 30 ARG HB3 H 1.700 0.030 2 290 30 30 ARG HD2 H 3.113 0.030 1 291 30 30 ARG HD3 H 3.113 0.030 1 292 30 30 ARG HG2 H 1.711 0.030 2 293 30 30 ARG HG3 H 1.583 0.030 2 294 30 30 ARG C C 174.691 0.300 1 295 30 30 ARG CA C 55.148 0.300 1 296 30 30 ARG CB C 30.263 0.300 1 297 30 30 ARG CD C 43.486 0.300 1 298 30 30 ARG CG C 26.952 0.300 1 299 30 30 ARG N N 118.480 0.300 1 300 31 31 ASP H H 8.306 0.030 1 301 31 31 ASP HA H 4.856 0.030 1 302 31 31 ASP HB2 H 2.644 0.030 2 303 31 31 ASP HB3 H 2.261 0.030 2 304 31 31 ASP C C 174.055 0.300 1 305 31 31 ASP CA C 53.082 0.300 1 306 31 31 ASP CB C 38.996 0.300 1 307 31 31 ASP N N 127.184 0.300 1 308 32 32 PRO HA H 3.975 0.030 1 309 32 32 PRO HB2 H 1.243 0.030 2 310 32 32 PRO HB3 H 0.692 0.030 2 311 32 32 PRO HD2 H 3.979 0.030 2 312 32 32 PRO HD3 H 3.204 0.030 2 313 32 32 PRO HG2 H 1.585 0.030 2 314 32 32 PRO HG3 H 1.009 0.030 2 315 32 32 PRO CA C 61.566 0.300 1 316 32 32 PRO CB C 28.904 0.300 1 317 32 32 PRO CD C 49.616 0.300 1 318 32 32 PRO CG C 27.830 0.300 1 319 33 33 PRO HA H 4.245 0.030 1 320 33 33 PRO HB2 H 2.283 0.030 2 321 33 33 PRO HB3 H 1.829 0.030 2 322 33 33 PRO HD2 H 3.636 0.030 2 323 33 33 PRO HD3 H 3.144 0.030 2 324 33 33 PRO HG2 H 1.995 0.030 1 325 33 33 PRO HG3 H 1.995 0.030 1 326 33 33 PRO C C 175.979 0.300 1 327 33 33 PRO CA C 62.518 0.300 1 328 33 33 PRO CB C 32.089 0.300 1 329 33 33 PRO CD C 50.701 0.300 1 330 33 33 PRO CG C 27.483 0.300 1 331 34 34 ALA H H 8.326 0.030 1 332 34 34 ALA HA H 4.080 0.030 1 333 34 34 ALA HB H 1.350 0.030 1 334 34 34 ALA C C 179.276 0.300 1 335 34 34 ALA CA C 53.700 0.300 1 336 34 34 ALA CB C 18.195 0.300 1 337 34 34 ALA N N 123.757 0.300 1 338 35 35 GLY H H 8.663 0.030 1 339 35 35 GLY HA2 H 4.109 0.030 2 340 35 35 GLY HA3 H 3.707 0.030 2 341 35 35 GLY C C 174.627 0.300 1 342 35 35 GLY CA C 45.330 0.300 1 343 35 35 GLY N N 109.082 0.300 1 344 36 36 VAL H H 7.442 0.030 1 345 36 36 VAL HA H 4.072 0.030 1 346 36 36 VAL HB H 2.053 0.030 1 347 36 36 VAL HG1 H 0.878 0.030 1 348 36 36 VAL HG2 H 0.871 0.030 1 349 36 36 VAL C C 175.597 0.300 1 350 36 36 VAL CA C 62.251 0.300 1 351 36 36 VAL CB C 32.336 0.300 1 352 36 36 VAL CG1 C 21.502 0.300 2 353 36 36 VAL CG2 C 21.155 0.300 2 354 36 36 VAL N N 119.362 0.300 1 355 37 37 GLN H H 8.735 0.030 1 356 37 37 GLN HA H 4.414 0.030 1 357 37 37 GLN HB2 H 2.051 0.030 2 358 37 37 GLN HB3 H 1.996 0.030 2 359 37 37 GLN HG2 H 2.295 0.030 2 360 37 37 GLN HG3 H 2.271 0.030 2 361 37 37 GLN C C 174.602 0.300 1 362 37 37 GLN CA C 54.915 0.300 1 363 37 37 GLN CB C 28.602 0.300 1 364 37 37 GLN CG C 33.695 0.300 1 365 37 37 GLN N N 126.748 0.300 1 366 38 38 PHE H H 8.655 0.030 1 367 38 38 PHE HA H 4.889 0.030 1 368 38 38 PHE HB2 H 2.995 0.030 2 369 38 38 PHE HB3 H 2.770 0.030 2 370 38 38 PHE HD1 H 7.315 0.030 1 371 38 38 PHE HD2 H 7.315 0.030 1 372 38 38 PHE HE1 H 7.498 0.030 1 373 38 38 PHE HE2 H 7.498 0.030 1 374 38 38 PHE HZ H 7.277 0.030 1 375 38 38 PHE C C 173.568 0.300 1 376 38 38 PHE CA C 56.913 0.300 1 377 38 38 PHE CB C 40.073 0.300 1 378 38 38 PHE CD1 C 131.875 0.300 1 379 38 38 PHE CD2 C 131.875 0.300 1 380 38 38 PHE CE1 C 131.960 0.300 1 381 38 38 PHE CE2 C 131.960 0.300 1 382 38 38 PHE CZ C 129.541 0.300 1 383 38 38 PHE N N 126.219 0.300 1 384 39 39 ASN H H 8.581 0.030 1 385 39 39 ASN HA H 4.571 0.030 1 386 39 39 ASN HB2 H 2.613 0.030 2 387 39 39 ASN HB3 H 2.559 0.030 2 388 39 39 ASN HD21 H 7.548 0.030 2 389 39 39 ASN HD22 H 6.908 0.030 2 390 39 39 ASN C C 173.043 0.300 1 391 39 39 ASN CA C 53.097 0.300 1 392 39 39 ASN CB C 38.476 0.300 1 393 39 39 ASN N N 128.161 0.300 1 394 39 39 ASN ND2 N 113.294 0.300 1 395 40 40 PHE H H 8.334 0.030 1 396 40 40 PHE HA H 4.308 0.030 1 397 40 40 PHE HB2 H 2.857 0.030 2 398 40 40 PHE HB3 H 2.807 0.030 2 399 40 40 PHE HD1 H 7.498 0.030 1 400 40 40 PHE HD2 H 7.498 0.030 1 401 40 40 PHE HE1 H 7.473 0.030 1 402 40 40 PHE HE2 H 7.473 0.030 1 403 40 40 PHE HZ H 7.458 0.030 1 404 40 40 PHE C C 172.381 0.300 1 405 40 40 PHE CA C 57.526 0.300 1 406 40 40 PHE CB C 41.813 0.300 1 407 40 40 PHE CD1 C 132.366 0.300 1 408 40 40 PHE CD2 C 132.366 0.300 1 409 40 40 PHE CE1 C 131.711 0.300 1 410 40 40 PHE CE2 C 131.711 0.300 1 411 40 40 PHE CZ C 128.609 0.300 1 412 40 40 PHE N N 124.706 0.300 1 413 41 41 ASP H H 7.953 0.030 1 414 41 41 ASP HA H 4.613 0.030 1 415 41 41 ASP HB2 H 2.636 0.030 2 416 41 41 ASP HB3 H 2.226 0.030 2 417 41 41 ASP C C 174.913 0.300 1 418 41 41 ASP CA C 51.732 0.300 1 419 41 41 ASP CB C 41.482 0.300 1 420 41 41 ASP N N 129.445 0.300 1 421 42 42 PHE H H 8.839 0.030 1 422 42 42 PHE HA H 3.650 0.030 1 423 42 42 PHE HB2 H 3.368 0.030 2 424 42 42 PHE HB3 H 3.020 0.030 2 425 42 42 PHE HD1 H 7.422 0.030 1 426 42 42 PHE HD2 H 7.422 0.030 1 427 42 42 PHE HE1 H 7.292 0.030 1 428 42 42 PHE HE2 H 7.292 0.030 1 429 42 42 PHE HZ H 6.906 0.030 1 430 42 42 PHE C C 176.186 0.300 1 431 42 42 PHE CA C 61.122 0.300 1 432 42 42 PHE CB C 39.241 0.300 1 433 42 42 PHE CD1 C 131.724 0.300 1 434 42 42 PHE CD2 C 131.724 0.300 1 435 42 42 PHE CE1 C 131.098 0.300 1 436 42 42 PHE CE2 C 131.098 0.300 1 437 42 42 PHE CZ C 129.890 0.300 1 438 42 42 PHE N N 126.061 0.300 1 439 43 43 ASP H H 8.115 0.030 1 440 43 43 ASP HA H 4.117 0.030 1 441 43 43 ASP HB2 H 2.673 0.030 2 442 43 43 ASP HB3 H 2.544 0.030 2 443 43 43 ASP C C 178.671 0.300 1 444 43 43 ASP CA C 57.337 0.300 1 445 43 43 ASP CB C 40.323 0.300 1 446 43 43 ASP N N 116.559 0.300 1 447 44 44 GLN H H 7.377 0.030 1 448 44 44 GLN HA H 3.972 0.030 1 449 44 44 GLN HB2 H 1.974 0.030 2 450 44 44 GLN HB3 H 1.778 0.030 2 451 44 44 GLN HE21 H 7.476 0.030 2 452 44 44 GLN HE22 H 6.693 0.030 2 453 44 44 GLN HG2 H 2.312 0.030 2 454 44 44 GLN HG3 H 2.132 0.030 2 455 44 44 GLN C C 177.792 0.300 1 456 44 44 GLN CA C 57.426 0.300 1 457 44 44 GLN CB C 29.230 0.300 1 458 44 44 GLN CG C 33.964 0.300 1 459 44 44 GLN N N 116.591 0.300 1 460 44 44 GLN NE2 N 112.299 0.300 1 461 45 45 MET H H 7.552 0.030 1 462 45 45 MET HA H 4.529 0.030 1 463 45 45 MET HB2 H 1.538 0.030 2 464 45 45 MET HB3 H 1.461 0.030 2 465 45 45 MET HE H 1.426 0.030 1 466 45 45 MET HG2 H 2.242 0.030 2 467 45 45 MET HG3 H 2.189 0.030 2 468 45 45 MET C C 177.825 0.300 1 469 45 45 MET CA C 53.919 0.300 1 470 45 45 MET CB C 30.998 0.300 1 471 45 45 MET CE C 15.090 0.300 1 472 45 45 MET CG C 31.759 0.300 1 473 45 45 MET N N 114.647 0.300 1 474 46 46 TYR H H 8.316 0.030 1 475 46 46 TYR HA H 3.934 0.030 1 476 46 46 TYR HB2 H 2.583 0.030 2 477 46 46 TYR HB3 H 2.188 0.030 2 478 46 46 TYR HD1 H 6.662 0.030 1 479 46 46 TYR HD2 H 6.662 0.030 1 480 46 46 TYR HE1 H 6.791 0.030 1 481 46 46 TYR HE2 H 6.791 0.030 1 482 46 46 TYR C C 173.136 0.300 1 483 46 46 TYR CA C 62.516 0.300 1 484 46 46 TYR CB C 35.017 0.300 1 485 46 46 TYR CD1 C 132.737 0.300 1 486 46 46 TYR CD2 C 132.737 0.300 1 487 46 46 TYR CE1 C 117.773 0.300 1 488 46 46 TYR CE2 C 117.773 0.300 1 489 46 46 TYR N N 124.209 0.300 1 490 47 47 PRO HA H 3.927 0.030 1 491 47 47 PRO HB2 H 2.254 0.030 2 492 47 47 PRO HB3 H 1.657 0.030 2 493 47 47 PRO HD2 H 3.556 0.030 2 494 47 47 PRO HD3 H 3.407 0.030 2 495 47 47 PRO HG2 H 2.003 0.030 2 496 47 47 PRO HG3 H 1.861 0.030 2 497 47 47 PRO C C 179.497 0.300 1 498 47 47 PRO CA C 66.021 0.300 1 499 47 47 PRO CB C 31.135 0.300 1 500 47 47 PRO CD C 50.245 0.300 1 501 47 47 PRO CG C 28.621 0.300 1 502 48 48 VAL H H 6.806 0.030 1 503 48 48 VAL HA H 3.637 0.030 1 504 48 48 VAL HB H 2.324 0.030 1 505 48 48 VAL HG1 H 1.111 0.030 1 506 48 48 VAL HG2 H 0.971 0.030 1 507 48 48 VAL C C 178.171 0.300 1 508 48 48 VAL CA C 65.316 0.300 1 509 48 48 VAL CB C 31.640 0.300 1 510 48 48 VAL CG1 C 21.469 0.300 2 511 48 48 VAL CG2 C 21.754 0.300 2 512 48 48 VAL N N 117.132 0.300 1 513 49 49 ALA H H 7.902 0.030 1 514 49 49 ALA HA H 3.647 0.030 1 515 49 49 ALA HB H 0.186 0.030 1 516 49 49 ALA C C 178.642 0.300 1 517 49 49 ALA CA C 55.693 0.300 1 518 49 49 ALA CB C 15.365 0.300 1 519 49 49 ALA N N 124.837 0.300 1 520 50 50 LEU H H 7.741 0.030 1 521 50 50 LEU HA H 3.775 0.030 1 522 50 50 LEU HB2 H 1.532 0.030 2 523 50 50 LEU HB3 H 1.209 0.030 2 524 50 50 LEU HD1 H 0.576 0.030 1 525 50 50 LEU HD2 H 0.612 0.030 1 526 50 50 LEU HG H 0.994 0.030 1 527 50 50 LEU C C 180.513 0.300 1 528 50 50 LEU CA C 57.903 0.300 1 529 50 50 LEU CB C 41.645 0.300 1 530 50 50 LEU CD1 C 25.152 0.300 2 531 50 50 LEU CD2 C 22.289 0.300 2 532 50 50 LEU CG C 25.959 0.300 1 533 50 50 LEU N N 113.570 0.300 1 534 51 51 VAL H H 7.019 0.030 1 535 51 51 VAL HA H 3.687 0.030 1 536 51 51 VAL HB H 2.232 0.030 1 537 51 51 VAL HG1 H 0.932 0.030 1 538 51 51 VAL HG2 H 1.037 0.030 1 539 51 51 VAL C C 178.896 0.300 1 540 51 51 VAL CA C 66.299 0.300 1 541 51 51 VAL CB C 31.801 0.300 1 542 51 51 VAL CG1 C 21.319 0.300 2 543 51 51 VAL CG2 C 22.524 0.300 2 544 51 51 VAL N N 119.548 0.300 1 545 52 52 MET H H 8.082 0.030 1 546 52 52 MET HA H 4.192 0.030 1 547 52 52 MET HB2 H 2.342 0.030 2 548 52 52 MET HB3 H 2.233 0.030 2 549 52 52 MET HE H 2.272 0.030 1 550 52 52 MET HG2 H 3.048 0.030 2 551 52 52 MET HG3 H 2.673 0.030 2 552 52 52 MET C C 179.314 0.300 1 553 52 52 MET CA C 59.479 0.300 1 554 52 52 MET CB C 32.083 0.300 1 555 52 52 MET CE C 17.730 0.300 1 556 52 52 MET CG C 32.869 0.300 1 557 52 52 MET N N 120.310 0.300 1 558 53 53 LEU H H 8.559 0.030 1 559 53 53 LEU HA H 4.044 0.030 1 560 53 53 LEU HB2 H 2.024 0.030 2 561 53 53 LEU HB3 H 1.568 0.030 2 562 53 53 LEU HD1 H 1.056 0.030 1 563 53 53 LEU HD2 H 1.030 0.030 1 564 53 53 LEU HG H 2.120 0.030 1 565 53 53 LEU C C 178.206 0.300 1 566 53 53 LEU CA C 57.672 0.300 1 567 53 53 LEU CB C 42.889 0.300 1 568 53 53 LEU CD1 C 26.099 0.300 2 569 53 53 LEU CD2 C 23.842 0.300 2 570 53 53 LEU CG C 26.514 0.300 1 571 53 53 LEU N N 118.037 0.300 1 572 54 54 GLN H H 7.299 0.030 1 573 54 54 GLN HA H 4.102 0.030 1 574 54 54 GLN HB2 H 2.290 0.030 2 575 54 54 GLN HB3 H 2.235 0.030 2 576 54 54 GLN HG2 H 2.590 0.030 2 577 54 54 GLN HG3 H 2.465 0.030 2 578 54 54 GLN C C 177.411 0.300 1 579 54 54 GLN CA C 57.439 0.300 1 580 54 54 GLN CB C 28.885 0.300 1 581 54 54 GLN CG C 33.976 0.300 1 582 54 54 GLN N N 115.034 0.300 1 583 55 55 GLU H H 7.485 0.030 1 584 55 55 GLU HA H 4.388 0.030 1 585 55 55 GLU HB2 H 2.181 0.030 2 586 55 55 GLU HB3 H 1.980 0.030 2 587 55 55 GLU HG2 H 2.434 0.030 2 588 55 55 GLU HG3 H 2.267 0.030 2 589 55 55 GLU C C 175.934 0.300 1 590 55 55 GLU CA C 56.681 0.300 1 591 55 55 GLU CB C 31.193 0.300 1 592 55 55 GLU CG C 36.200 0.300 1 593 55 55 GLU N N 116.000 0.300 1 594 56 56 ASP H H 7.752 0.030 1 595 56 56 ASP HA H 4.871 0.030 1 596 56 56 ASP HB2 H 3.107 0.030 2 597 56 56 ASP HB3 H 2.464 0.030 2 598 56 56 ASP C C 175.222 0.300 1 599 56 56 ASP CA C 52.696 0.300 1 600 56 56 ASP CB C 42.098 0.300 1 601 56 56 ASP N N 120.021 0.300 1 602 57 57 GLU H H 8.733 0.030 1 603 57 57 GLU HA H 4.199 0.030 1 604 57 57 GLU HB2 H 2.119 0.030 2 605 57 57 GLU HB3 H 2.031 0.030 2 606 57 57 GLU HG2 H 2.350 0.030 2 607 57 57 GLU HG3 H 2.307 0.030 2 608 57 57 GLU C C 179.042 0.300 1 609 57 57 GLU CA C 58.887 0.300 1 610 57 57 GLU CB C 29.931 0.300 1 611 57 57 GLU CG C 36.283 0.300 1 612 57 57 GLU N N 124.981 0.300 1 613 58 58 LEU H H 8.119 0.030 1 614 58 58 LEU HA H 4.153 0.030 1 615 58 58 LEU HB2 H 2.010 0.030 2 616 58 58 LEU HB3 H 1.581 0.030 2 617 58 58 LEU HD1 H 0.941 0.030 1 618 58 58 LEU HD2 H 0.839 0.030 1 619 58 58 LEU HG H 1.708 0.030 1 620 58 58 LEU C C 179.791 0.300 1 621 58 58 LEU CA C 57.670 0.300 1 622 58 58 LEU CB C 40.502 0.300 1 623 58 58 LEU CD1 C 24.655 0.300 2 624 58 58 LEU CD2 C 23.512 0.300 2 625 58 58 LEU CG C 27.345 0.300 1 626 58 58 LEU N N 120.114 0.300 1 627 59 59 LEU H H 7.746 0.030 1 628 59 59 LEU HA H 3.891 0.030 1 629 59 59 LEU HB2 H 2.160 0.030 2 630 59 59 LEU HB3 H 1.669 0.030 2 631 59 59 LEU HD1 H 0.500 0.030 1 632 59 59 LEU HD2 H 0.990 0.030 1 633 59 59 LEU HG H 1.493 0.030 1 634 59 59 LEU C C 178.506 0.300 1 635 59 59 LEU CA C 57.784 0.300 1 636 59 59 LEU CB C 41.638 0.300 1 637 59 59 LEU CD1 C 22.955 0.300 2 638 59 59 LEU CD2 C 25.737 0.300 2 639 59 59 LEU CG C 27.198 0.300 1 640 59 59 LEU N N 124.830 0.300 1 641 60 60 SER H H 7.762 0.030 1 642 60 60 SER HA H 4.065 0.030 1 643 60 60 SER HB2 H 4.106 0.030 1 644 60 60 SER HB3 H 4.106 0.030 1 645 60 60 SER C C 177.614 0.300 1 646 60 60 SER CA C 61.553 0.300 1 647 60 60 SER CB C 62.671 0.300 1 648 60 60 SER N N 112.071 0.300 1 649 61 61 LYS H H 8.080 0.030 1 650 61 61 LYS HA H 4.117 0.030 1 651 61 61 LYS HB2 H 1.979 0.030 2 652 61 61 LYS HB3 H 1.924 0.030 2 653 61 61 LYS HD2 H 1.660 0.030 1 654 61 61 LYS HD3 H 1.660 0.030 1 655 61 61 LYS HE2 H 2.955 0.030 1 656 61 61 LYS HE3 H 2.955 0.030 1 657 61 61 LYS HG2 H 1.735 0.030 2 658 61 61 LYS HG3 H 1.477 0.030 2 659 61 61 LYS C C 179.623 0.300 1 660 61 61 LYS CA C 59.860 0.300 1 661 61 61 LYS CB C 32.639 0.300 1 662 61 61 LYS CD C 29.472 0.300 1 663 61 61 LYS CE C 42.115 0.300 1 664 61 61 LYS CG C 25.786 0.300 1 665 61 61 LYS N N 121.238 0.300 1 666 62 62 MET H H 8.271 0.030 1 667 62 62 MET HA H 4.259 0.030 1 668 62 62 MET HB2 H 2.067 0.030 2 669 62 62 MET HB3 H 1.571 0.030 2 670 62 62 MET HE H 1.949 0.030 1 671 62 62 MET HG2 H 2.074 0.030 2 672 62 62 MET HG3 H 1.873 0.030 2 673 62 62 MET C C 177.597 0.300 1 674 62 62 MET CA C 56.958 0.300 1 675 62 62 MET CB C 30.397 0.300 1 676 62 62 MET CE C 16.570 0.300 1 677 62 62 MET CG C 31.512 0.300 1 678 62 62 MET N N 121.137 0.300 1 679 63 63 ARG H H 8.194 0.030 1 680 63 63 ARG HA H 2.959 0.030 1 681 63 63 ARG HB2 H 1.710 0.030 2 682 63 63 ARG HB3 H 1.122 0.030 2 683 63 63 ARG HD2 H 3.022 0.030 2 684 63 63 ARG HD3 H 2.794 0.030 2 685 63 63 ARG HG2 H 1.044 0.030 2 686 63 63 ARG HG3 H 0.528 0.030 2 687 63 63 ARG C C 177.770 0.300 1 688 63 63 ARG CA C 59.429 0.300 1 689 63 63 ARG CB C 28.687 0.300 1 690 63 63 ARG CD C 43.049 0.300 1 691 63 63 ARG CG C 26.561 0.300 1 692 63 63 ARG N N 120.284 0.300 1 693 64 64 PHE H H 7.742 0.030 1 694 64 64 PHE HA H 4.326 0.030 1 695 64 64 PHE HB2 H 3.141 0.030 1 696 64 64 PHE HB3 H 3.141 0.030 1 697 64 64 PHE HD1 H 7.335 0.030 1 698 64 64 PHE HD2 H 7.335 0.030 1 699 64 64 PHE HE1 H 7.296 0.030 1 700 64 64 PHE HE2 H 7.296 0.030 1 701 64 64 PHE C C 177.323 0.300 1 702 64 64 PHE CA C 60.536 0.300 1 703 64 64 PHE CB C 38.939 0.300 1 704 64 64 PHE CD1 C 131.821 0.300 1 705 64 64 PHE CD2 C 131.821 0.300 1 706 64 64 PHE CE1 C 129.819 0.300 1 707 64 64 PHE CE2 C 129.819 0.300 1 708 64 64 PHE N N 116.804 0.300 1 709 65 65 ALA H H 7.785 0.030 1 710 65 65 ALA HA H 4.108 0.030 1 711 65 65 ALA HB H 1.486 0.030 1 712 65 65 ALA C C 180.143 0.300 1 713 65 65 ALA CA C 54.256 0.300 1 714 65 65 ALA CB C 18.879 0.300 1 715 65 65 ALA N N 118.797 0.300 1 716 66 66 LEU H H 7.976 0.030 1 717 66 66 LEU HA H 4.389 0.030 1 718 66 66 LEU HB2 H 1.705 0.030 2 719 66 66 LEU HB3 H 1.545 0.030 2 720 66 66 LEU HD1 H 0.871 0.030 1 721 66 66 LEU HD2 H 0.831 0.030 1 722 66 66 LEU HG H 2.018 0.030 1 723 66 66 LEU C C 176.416 0.300 1 724 66 66 LEU CA C 56.722 0.300 1 725 66 66 LEU CB C 43.738 0.300 1 726 66 66 LEU CD1 C 25.924 0.300 2 727 66 66 LEU CD2 C 23.604 0.300 2 728 66 66 LEU CG C 27.519 0.300 1 729 66 66 LEU N N 115.382 0.300 1 730 67 67 VAL H H 8.158 0.030 1 731 67 67 VAL HA H 5.146 0.030 1 732 67 67 VAL HB H 1.906 0.030 1 733 67 67 VAL HG1 H 0.793 0.030 1 734 67 67 VAL HG2 H 0.291 0.030 1 735 67 67 VAL C C 176.663 0.300 1 736 67 67 VAL CA C 57.849 0.300 1 737 67 67 VAL CB C 33.084 0.300 1 738 67 67 VAL CG1 C 20.152 0.300 2 739 67 67 VAL CG2 C 21.734 0.300 2 740 67 67 VAL N N 121.227 0.300 1 741 68 68 PRO HA H 5.299 0.030 1 742 68 68 PRO HB2 H 2.250 0.030 2 743 68 68 PRO HB3 H 2.087 0.030 2 744 68 68 PRO HD2 H 3.586 0.030 2 745 68 68 PRO HD3 H 3.382 0.030 2 746 68 68 PRO HG2 H 2.023 0.030 2 747 68 68 PRO HG3 H 1.644 0.030 2 748 68 68 PRO C C 177.221 0.300 1 749 68 68 PRO CA C 63.889 0.300 1 750 68 68 PRO CB C 33.753 0.300 1 751 68 68 PRO CD C 48.627 0.300 1 752 68 68 PRO CG C 24.031 0.300 1 753 69 69 LYS H H 7.928 0.030 1 754 69 69 LYS HA H 3.869 0.030 1 755 69 69 LYS HB2 H 1.760 0.030 2 756 69 69 LYS HB3 H 1.641 0.030 2 757 69 69 LYS HD2 H 1.653 0.030 1 758 69 69 LYS HD3 H 1.653 0.030 1 759 69 69 LYS HE2 H 2.950 0.030 1 760 69 69 LYS HE3 H 2.950 0.030 1 761 69 69 LYS HG2 H 1.440 0.030 2 762 69 69 LYS HG3 H 1.336 0.030 2 763 69 69 LYS C C 177.135 0.300 1 764 69 69 LYS CA C 60.357 0.300 1 765 69 69 LYS CB C 32.891 0.300 1 766 69 69 LYS CD C 29.188 0.300 1 767 69 69 LYS CE C 41.895 0.300 1 768 69 69 LYS CG C 25.383 0.300 1 769 69 69 LYS N N 123.650 0.300 1 770 70 70 LEU H H 8.436 0.030 1 771 70 70 LEU HA H 4.629 0.030 1 772 70 70 LEU HB2 H 1.987 0.030 2 773 70 70 LEU HB3 H 1.576 0.030 2 774 70 70 LEU HD1 H 0.979 0.030 1 775 70 70 LEU HD2 H 0.921 0.030 1 776 70 70 LEU HG H 1.643 0.030 1 777 70 70 LEU C C 176.727 0.300 1 778 70 70 LEU CA C 55.698 0.300 1 779 70 70 LEU CB C 43.818 0.300 1 780 70 70 LEU CD1 C 25.426 0.300 2 781 70 70 LEU CD2 C 23.617 0.300 2 782 70 70 LEU CG C 28.373 0.300 1 783 70 70 LEU N N 115.737 0.300 1 784 71 71 VAL H H 7.710 0.030 1 785 71 71 VAL HA H 4.467 0.030 1 786 71 71 VAL HB H 2.125 0.030 1 787 71 71 VAL HG1 H 0.929 0.030 1 788 71 71 VAL HG2 H 1.063 0.030 1 789 71 71 VAL C C 172.484 0.300 1 790 71 71 VAL CA C 59.561 0.300 1 791 71 71 VAL CB C 35.191 0.300 1 792 71 71 VAL CG1 C 22.720 0.300 2 793 71 71 VAL CG2 C 20.678 0.300 2 794 71 71 VAL N N 116.792 0.300 1 795 72 72 LYS H H 7.979 0.030 1 796 72 72 LYS HA H 4.422 0.030 1 797 72 72 LYS HB2 H 2.075 0.030 2 798 72 72 LYS HB3 H 1.757 0.030 2 799 72 72 LYS HD2 H 1.776 0.030 1 800 72 72 LYS HD3 H 1.776 0.030 1 801 72 72 LYS HE2 H 3.056 0.030 1 802 72 72 LYS HE3 H 3.056 0.030 1 803 72 72 LYS HG2 H 1.628 0.030 1 804 72 72 LYS HG3 H 1.628 0.030 1 805 72 72 LYS C C 178.382 0.300 1 806 72 72 LYS CA C 55.852 0.300 1 807 72 72 LYS CB C 33.768 0.300 1 808 72 72 LYS CD C 29.168 0.300 1 809 72 72 LYS CE C 42.257 0.300 1 810 72 72 LYS CG C 25.508 0.300 1 811 72 72 LYS N N 120.779 0.300 1 812 73 73 GLU H H 9.139 0.030 1 813 73 73 GLU HA H 3.746 0.030 1 814 73 73 GLU HB2 H 2.239 0.030 2 815 73 73 GLU HB3 H 2.062 0.030 2 816 73 73 GLU HG2 H 2.732 0.030 2 817 73 73 GLU HG3 H 2.440 0.030 2 818 73 73 GLU C C 177.652 0.300 1 819 73 73 GLU CA C 60.937 0.300 1 820 73 73 GLU CB C 29.746 0.300 1 821 73 73 GLU CG C 36.236 0.300 1 822 73 73 GLU N N 124.678 0.300 1 823 74 74 GLU H H 9.674 0.030 1 824 74 74 GLU HA H 3.816 0.030 1 825 74 74 GLU HB2 H 1.841 0.030 2 826 74 74 GLU HB3 H 1.771 0.030 2 827 74 74 GLU HG2 H 2.108 0.030 2 828 74 74 GLU HG3 H 1.807 0.030 2 829 74 74 GLU C C 178.103 0.300 1 830 74 74 GLU CA C 60.463 0.300 1 831 74 74 GLU CB C 28.783 0.300 1 832 74 74 GLU CG C 36.001 0.300 1 833 74 74 GLU N N 115.299 0.300 1 834 75 75 VAL H H 6.779 0.030 1 835 75 75 VAL HA H 3.564 0.030 1 836 75 75 VAL HB H 2.123 0.030 1 837 75 75 VAL HG1 H 1.027 0.030 1 838 75 75 VAL HG2 H 1.055 0.030 1 839 75 75 VAL C C 175.907 0.300 1 840 75 75 VAL CA C 66.160 0.300 1 841 75 75 VAL CB C 32.511 0.300 1 842 75 75 VAL CG1 C 22.073 0.300 2 843 75 75 VAL CG2 C 23.191 0.300 2 844 75 75 VAL N N 120.452 0.300 1 845 76 76 PHE H H 8.187 0.030 1 846 76 76 PHE HA H 4.077 0.030 1 847 76 76 PHE HB2 H 3.315 0.030 2 848 76 76 PHE HB3 H 2.641 0.030 2 849 76 76 PHE HZ H 5.932 0.030 1 850 76 76 PHE C C 176.920 0.300 1 851 76 76 PHE CA C 61.734 0.300 1 852 76 76 PHE CB C 39.080 0.300 1 853 76 76 PHE CZ C 129.284 0.300 1 854 76 76 PHE N N 121.045 0.300 1 855 77 77 TRP H H 8.013 0.030 1 856 77 77 TRP HA H 5.006 0.030 1 857 77 77 TRP HB2 H 4.032 0.030 2 858 77 77 TRP HB3 H 3.542 0.030 2 859 77 77 TRP HD1 H 7.900 0.030 1 860 77 77 TRP HE1 H 11.404 0.030 1 861 77 77 TRP HE3 H 7.853 0.030 1 862 77 77 TRP HH2 H 7.006 0.030 1 863 77 77 TRP HZ2 H 7.304 0.030 1 864 77 77 TRP HZ3 H 6.831 0.030 1 865 77 77 TRP C C 177.494 0.300 1 866 77 77 TRP CA C 59.350 0.300 1 867 77 77 TRP CB C 30.546 0.300 1 868 77 77 TRP CD1 C 130.232 0.300 1 869 77 77 TRP CE3 C 122.386 0.300 1 870 77 77 TRP CH2 C 124.257 0.300 1 871 77 77 TRP CZ2 C 113.909 0.300 1 872 77 77 TRP CZ3 C 121.864 0.300 1 873 77 77 TRP N N 114.563 0.300 1 874 77 77 TRP NE1 N 129.457 0.300 1 875 78 78 ARG H H 8.122 0.030 1 876 78 78 ARG HA H 2.581 0.030 1 877 78 78 ARG HB2 H 1.895 0.030 2 878 78 78 ARG HB3 H 1.806 0.030 2 879 78 78 ARG HD2 H 3.478 0.030 2 880 78 78 ARG HD3 H 3.247 0.030 2 881 78 78 ARG HE H 7.379 0.030 1 882 78 78 ARG HG2 H 1.886 0.030 2 883 78 78 ARG HG3 H 1.326 0.030 2 884 78 78 ARG C C 178.312 0.300 1 885 78 78 ARG CA C 60.508 0.300 1 886 78 78 ARG CB C 28.589 0.300 1 887 78 78 ARG CD C 42.148 0.300 1 888 78 78 ARG CG C 27.302 0.300 1 889 78 78 ARG N N 123.675 0.300 1 890 78 78 ARG NE N 81.345 0.300 1 891 79 79 ASN H H 8.612 0.030 1 892 79 79 ASN HA H 4.191 0.030 1 893 79 79 ASN HB2 H 2.973 0.030 2 894 79 79 ASN HB3 H 2.428 0.030 2 895 79 79 ASN HD21 H 7.008 0.030 2 896 79 79 ASN HD22 H 6.806 0.030 2 897 79 79 ASN C C 177.289 0.300 1 898 79 79 ASN CA C 55.973 0.300 1 899 79 79 ASN CB C 36.158 0.300 1 900 79 79 ASN N N 119.140 0.300 1 901 79 79 ASN ND2 N 109.041 0.300 1 902 80 80 TYR H H 7.869 0.030 1 903 80 80 TYR HA H 3.607 0.030 1 904 80 80 TYR HB2 H 2.823 0.030 2 905 80 80 TYR HB3 H 2.635 0.030 2 906 80 80 TYR HD1 H 6.090 0.030 1 907 80 80 TYR HD2 H 6.090 0.030 1 908 80 80 TYR HE1 H 6.499 0.030 1 909 80 80 TYR HE2 H 6.499 0.030 1 910 80 80 TYR C C 177.682 0.300 1 911 80 80 TYR CA C 61.476 0.300 1 912 80 80 TYR CB C 38.961 0.300 1 913 80 80 TYR CD1 C 132.753 0.300 1 914 80 80 TYR CD2 C 132.753 0.300 1 915 80 80 TYR CE1 C 117.788 0.300 1 916 80 80 TYR CE2 C 117.788 0.300 1 917 80 80 TYR N N 120.595 0.300 1 918 81 81 PHE H H 9.466 0.030 1 919 81 81 PHE HA H 4.089 0.030 1 920 81 81 PHE HB2 H 3.546 0.030 2 921 81 81 PHE HB3 H 3.424 0.030 2 922 81 81 PHE HD1 H 7.889 0.030 1 923 81 81 PHE HD2 H 7.889 0.030 1 924 81 81 PHE HE1 H 7.518 0.030 1 925 81 81 PHE HE2 H 7.518 0.030 1 926 81 81 PHE HZ H 7.186 0.030 1 927 81 81 PHE C C 179.485 0.300 1 928 81 81 PHE CA C 63.439 0.300 1 929 81 81 PHE CB C 37.010 0.300 1 930 81 81 PHE CD1 C 132.247 0.300 1 931 81 81 PHE CD2 C 132.247 0.300 1 932 81 81 PHE CE1 C 131.517 0.300 1 933 81 81 PHE CE2 C 131.517 0.300 1 934 81 81 PHE CZ C 129.779 0.300 1 935 81 81 PHE N N 115.869 0.300 1 936 82 82 TYR H H 8.596 0.030 1 937 82 82 TYR HA H 3.190 0.030 1 938 82 82 TYR HB2 H 2.795 0.030 2 939 82 82 TYR HB3 H 2.353 0.030 2 940 82 82 TYR HD1 H 6.378 0.030 1 941 82 82 TYR HD2 H 6.378 0.030 1 942 82 82 TYR HE1 H 6.590 0.030 1 943 82 82 TYR HE2 H 6.590 0.030 1 944 82 82 TYR C C 177.342 0.300 1 945 82 82 TYR CA C 60.780 0.300 1 946 82 82 TYR CB C 37.158 0.300 1 947 82 82 TYR CD1 C 132.579 0.300 1 948 82 82 TYR CD2 C 132.579 0.300 1 949 82 82 TYR CE1 C 117.798 0.300 1 950 82 82 TYR CE2 C 117.798 0.300 1 951 82 82 TYR N N 124.651 0.300 1 952 83 83 ARG H H 7.076 0.030 1 953 83 83 ARG HA H 3.415 0.030 1 954 83 83 ARG HB2 H 1.688 0.030 2 955 83 83 ARG HB3 H 1.580 0.030 2 956 83 83 ARG HD2 H 3.174 0.030 2 957 83 83 ARG HD3 H 3.028 0.030 2 958 83 83 ARG HG2 H 1.711 0.030 1 959 83 83 ARG HG3 H 1.711 0.030 1 960 83 83 ARG C C 179.531 0.300 1 961 83 83 ARG CA C 59.714 0.300 1 962 83 83 ARG CB C 28.869 0.300 1 963 83 83 ARG CD C 43.029 0.300 1 964 83 83 ARG CG C 28.904 0.300 1 965 83 83 ARG N N 120.281 0.300 1 966 84 84 VAL H H 8.229 0.030 1 967 84 84 VAL HA H 3.162 0.030 1 968 84 84 VAL HB H 1.993 0.030 1 969 84 84 VAL HG1 H 0.867 0.030 1 970 84 84 VAL HG2 H 0.147 0.030 1 971 84 84 VAL C C 177.785 0.300 1 972 84 84 VAL CA C 67.154 0.300 1 973 84 84 VAL CB C 31.830 0.300 1 974 84 84 VAL CG1 C 21.411 0.300 2 975 84 84 VAL CG2 C 22.657 0.300 2 976 84 84 VAL N N 121.043 0.300 1 977 85 85 SER H H 8.134 0.030 1 978 85 85 SER HA H 4.165 0.030 1 979 85 85 SER HB2 H 4.205 0.030 2 980 85 85 SER HB3 H 4.101 0.030 2 981 85 85 SER C C 176.381 0.300 1 982 85 85 SER CA C 61.947 0.300 1 983 85 85 SER CB C 62.467 0.300 1 984 85 85 SER N N 116.235 0.300 1 985 86 86 LEU H H 7.112 0.030 1 986 86 86 LEU HA H 3.926 0.030 1 987 86 86 LEU HB2 H 1.590 0.030 2 988 86 86 LEU HB3 H 1.283 0.030 2 989 86 86 LEU HD1 H 0.499 0.030 1 990 86 86 LEU HD2 H 0.585 0.030 1 991 86 86 LEU HG H 1.186 0.030 1 992 86 86 LEU C C 180.050 0.300 1 993 86 86 LEU CA C 57.205 0.300 1 994 86 86 LEU CB C 41.534 0.300 1 995 86 86 LEU CD1 C 24.945 0.300 2 996 86 86 LEU CD2 C 21.700 0.300 2 997 86 86 LEU CG C 25.737 0.300 1 998 86 86 LEU N N 121.688 0.300 1 999 87 87 ILE H H 7.333 0.030 1 1000 87 87 ILE HA H 3.652 0.030 1 1001 87 87 ILE HB H 1.858 0.030 1 1002 87 87 ILE HD1 H 0.655 0.030 1 1003 87 87 ILE HG12 H 1.595 0.030 2 1004 87 87 ILE HG13 H 1.005 0.030 2 1005 87 87 ILE HG2 H 0.882 0.030 1 1006 87 87 ILE C C 178.690 0.300 1 1007 87 87 ILE CA C 64.438 0.300 1 1008 87 87 ILE CB C 38.373 0.300 1 1009 87 87 ILE CD1 C 14.610 0.300 1 1010 87 87 ILE CG1 C 28.873 0.300 1 1011 87 87 ILE CG2 C 18.516 0.300 1 1012 87 87 ILE N N 120.958 0.300 1 1013 88 88 LYS H H 8.110 0.030 1 1014 88 88 LYS HA H 3.947 0.030 1 1015 88 88 LYS HB2 H 1.907 0.030 2 1016 88 88 LYS HB3 H 1.817 0.030 2 1017 88 88 LYS HD2 H 1.650 0.030 1 1018 88 88 LYS HD3 H 1.650 0.030 1 1019 88 88 LYS HE2 H 2.881 0.030 2 1020 88 88 LYS HE3 H 2.813 0.030 2 1021 88 88 LYS HG2 H 1.601 0.030 2 1022 88 88 LYS HG3 H 1.292 0.030 2 1023 88 88 LYS C C 178.184 0.300 1 1024 88 88 LYS CA C 59.417 0.300 1 1025 88 88 LYS CB C 32.523 0.300 1 1026 88 88 LYS CD C 29.510 0.300 1 1027 88 88 LYS CE C 41.905 0.300 1 1028 88 88 LYS CG C 26.269 0.300 1 1029 88 88 LYS N N 118.727 0.300 1 1030 89 89 GLN H H 8.065 0.030 1 1031 89 89 GLN HA H 4.222 0.030 1 1032 89 89 GLN HB2 H 2.154 0.030 1 1033 89 89 GLN HB3 H 2.154 0.030 1 1034 89 89 GLN HG2 H 2.499 0.030 2 1035 89 89 GLN HG3 H 2.432 0.030 2 1036 89 89 GLN C C 177.275 0.300 1 1037 89 89 GLN CA C 57.402 0.300 1 1038 89 89 GLN CB C 28.838 0.300 1 1039 89 89 GLN CG C 34.132 0.300 1 1040 89 89 GLN N N 117.875 0.300 1 1041 90 90 SER H H 7.911 0.030 1 1042 90 90 SER HA H 4.329 0.030 1 1043 90 90 SER HB2 H 3.961 0.030 1 1044 90 90 SER HB3 H 3.961 0.030 1 1045 90 90 SER C C 174.886 0.300 1 1046 90 90 SER CA C 59.872 0.300 1 1047 90 90 SER CB C 63.402 0.300 1 1048 90 90 SER N N 115.148 0.300 1 1049 91 91 ALA H H 7.830 0.030 1 1050 91 91 ALA HA H 4.328 0.030 1 1051 91 91 ALA HB H 1.430 0.030 1 1052 91 91 ALA C C 177.805 0.300 1 1053 91 91 ALA CA C 52.958 0.300 1 1054 91 91 ALA CB C 19.315 0.300 1 1055 91 91 ALA N N 124.267 0.300 1 1056 92 92 GLN H H 8.043 0.030 1 1057 92 92 GLN HA H 4.292 0.030 1 1058 92 92 GLN HB2 H 2.139 0.030 2 1059 92 92 GLN HB3 H 2.037 0.030 2 1060 92 92 GLN HE21 H 7.517 0.030 2 1061 92 92 GLN HE22 H 6.859 0.030 2 1062 92 92 GLN HG2 H 2.398 0.030 1 1063 92 92 GLN HG3 H 2.398 0.030 1 1064 92 92 GLN C C 176.233 0.300 1 1065 92 92 GLN CA C 56.106 0.300 1 1066 92 92 GLN CB C 29.174 0.300 1 1067 92 92 GLN CG C 33.974 0.300 1 1068 92 92 GLN N N 117.970 0.300 1 1069 92 92 GLN NE2 N 112.343 0.300 1 1070 93 93 LEU H H 8.142 0.030 1 1071 93 93 LEU HA H 4.413 0.030 1 1072 93 93 LEU HB2 H 1.716 0.030 2 1073 93 93 LEU HB3 H 1.624 0.030 2 1074 93 93 LEU HD1 H 0.938 0.030 1 1075 93 93 LEU HD2 H 0.877 0.030 1 1076 93 93 LEU C C 177.764 0.300 1 1077 93 93 LEU CA C 55.485 0.300 1 1078 93 93 LEU CB C 42.364 0.300 1 1079 93 93 LEU CD1 C 24.993 0.300 2 1080 93 93 LEU CD2 C 23.385 0.300 2 1081 93 93 LEU CG C 27.055 0.300 1 1082 93 93 LEU N N 122.382 0.300 1 1083 94 94 THR H H 8.093 0.030 1 1084 94 94 THR HA H 4.403 0.030 1 1085 94 94 THR HB H 4.281 0.030 1 1086 94 94 THR HG2 H 1.194 0.030 1 1087 94 94 THR C C 174.555 0.300 1 1088 94 94 THR CA C 61.721 0.300 1 1089 94 94 THR CB C 69.855 0.300 1 1090 94 94 THR CG2 C 21.528 0.300 1 1091 94 94 THR N N 113.905 0.300 1 1092 95 95 SER H H 8.267 0.030 1 1093 95 95 SER HA H 4.528 0.030 1 1094 95 95 SER HB2 H 3.897 0.030 1 1095 95 95 SER HB3 H 3.897 0.030 1 1096 95 95 SER C C 174.535 0.300 1 1097 95 95 SER CA C 58.292 0.300 1 1098 95 95 SER CB C 64.065 0.300 1 1099 95 95 SER N N 117.679 0.300 1 1100 96 96 GLY H H 8.242 0.030 1 1101 96 96 GLY HA2 H 4.110 0.030 1 1102 96 96 GLY HA3 H 4.110 0.030 1 1103 96 96 GLY C C 171.788 0.300 1 1104 96 96 GLY CA C 44.738 0.300 1 1105 96 96 GLY N N 110.681 0.300 1 1106 97 97 PRO HA H 4.476 0.030 1 1107 97 97 PRO HB2 H 2.291 0.030 2 1108 97 97 PRO HB3 H 1.973 0.030 2 1109 97 97 PRO HD2 H 3.632 0.030 1 1110 97 97 PRO HD3 H 3.632 0.030 1 1111 97 97 PRO HG2 H 2.007 0.030 1 1112 97 97 PRO HG3 H 2.007 0.030 1 1113 97 97 PRO CA C 63.262 0.300 1 1114 97 97 PRO CB C 32.210 0.300 1 1115 97 97 PRO CD C 49.799 0.300 1 1116 97 97 PRO CG C 27.196 0.300 1 stop_ save_