data_11202 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PDZ domain of Spinophilin/NeurabinII protein ; _BMRB_accession_number 11202 _BMRB_flat_file_name bmr11202.str _Entry_type original _Submission_date 2010-07-22 _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 Hayashi F. . . 3 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" 575 "13C chemical shifts" 433 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-21 original author . stop_ _Original_release_date 2011-07-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the PDZ domain of Spinophilin/NeurabinII protein' _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 Hayashi F. . . 3 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 Neurabin-I _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ 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 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; GSSGSSGLELFPVELEKDED GLGISIIGMGVGADAGLEKL GIFVKTVTEGGAAQRDGRIQ VNDQIVEVDGISLVGVTQNF AATVLRNTKGNVRFVIGREK PSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 GLU 10 LEU 11 PHE 12 PRO 13 VAL 14 GLU 15 LEU 16 GLU 17 LYS 18 ASP 19 GLU 20 ASP 21 GLY 22 LEU 23 GLY 24 ILE 25 SER 26 ILE 27 ILE 28 GLY 29 MET 30 GLY 31 VAL 32 GLY 33 ALA 34 ASP 35 ALA 36 GLY 37 LEU 38 GLU 39 LYS 40 LEU 41 GLY 42 ILE 43 PHE 44 VAL 45 LYS 46 THR 47 VAL 48 THR 49 GLU 50 GLY 51 GLY 52 ALA 53 ALA 54 GLN 55 ARG 56 ASP 57 GLY 58 ARG 59 ILE 60 GLN 61 VAL 62 ASN 63 ASP 64 GLN 65 ILE 66 VAL 67 GLU 68 VAL 69 ASP 70 GLY 71 ILE 72 SER 73 LEU 74 VAL 75 GLY 76 VAL 77 THR 78 GLN 79 ASN 80 PHE 81 ALA 82 ALA 83 THR 84 VAL 85 LEU 86 ARG 87 ASN 88 THR 89 LYS 90 GLY 91 ASN 92 VAL 93 ARG 94 PHE 95 VAL 96 ILE 97 GLY 98 ARG 99 GLU 100 LYS 101 PRO 102 SER 103 GLY 104 PRO 105 SER 106 SER 107 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 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 1WF8 "Solution Structure Of The Pdz Domain Of SpinophilinNEURABINII PROTEIN" 100.00 107 100.00 100.00 9.22e-66 PDB 2FN5 "Nmr Structure Of The Neurabin Pdz Domain (502-594)" 85.98 94 98.91 100.00 1.03e-54 PDB 3HVQ "Crystal Structure Of A Complex Between Protein Phosphatase 1 Alpha (Pp1) And The Pp1 Binding And Pdz Domains Of Neurabin" 85.98 170 100.00 100.00 5.90e-55 DBJ BAA86536 "KIAA1222 protein [Homo sapiens]" 87.85 742 100.00 100.00 1.03e-54 DBJ BAC77245 "neural tissue-specific F-actin binding protein [Mus musculus]" 87.85 1095 98.94 100.00 1.77e-53 DBJ BAE22449 "unnamed protein product [Mus musculus]" 87.85 642 98.94 100.00 2.14e-54 DBJ BAE23620 "unnamed protein product [Mus musculus]" 87.85 1042 98.94 100.00 2.44e-53 GB AAC53454 "neurabin [Rattus norvegicus]" 87.85 1095 100.00 100.00 6.80e-54 GB AAH53748 "Ppp1r9a protein [Mus musculus]" 87.85 969 98.94 100.00 2.81e-53 GB AAI18112 "Protein phosphatase 1, regulatory (inhibitor) subunit 9A [Bos taurus]" 87.85 647 100.00 100.00 6.18e-55 GB AAI30450 "PPP1R9A protein [Homo sapiens]" 87.85 1253 100.00 100.00 9.71e-51 GB AAI44110 "PPP1R9A protein [Homo sapiens]" 87.85 1090 100.00 100.00 5.33e-54 REF NP_001069621 "neurabin-1 [Bos taurus]" 87.85 1097 100.00 100.00 5.35e-54 REF NP_001159632 "neurabin-1 isoform 1 [Homo sapiens]" 87.85 1374 100.00 100.00 4.54e-51 REF NP_001159633 "neurabin-1 isoform 2 [Homo sapiens]" 87.85 1296 100.00 100.00 7.31e-54 REF NP_001159634 "neurabin-1 isoform 3 [Homo sapiens]" 87.85 1253 100.00 100.00 8.64e-51 REF NP_001159635 "neurabin-1 isoform 5 [Homo sapiens]" 87.85 1090 100.00 100.00 5.33e-54 SP O35867 "RecName: Full=Neurabin-1; AltName: Full=Neurabin-I; AltName: Full=Neural tissue-specific F-actin-binding protein I; AltName: Fu" 87.85 1095 100.00 100.00 6.80e-54 SP Q9ULJ8 "RecName: Full=Neurabin-1; AltName: Full=Neurabin-I; AltName: Full=Neural tissue-specific F-actin-binding protein I; AltName: Fu" 87.85 1098 100.00 100.00 5.21e-54 TPG DAA30807 "TPA: protein phosphatase 1, regulatory (inhibitor) subunit 9A [Bos taurus]" 87.85 1312 100.00 100.00 6.68e-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_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P021030-40 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.05mM 13C, 15N-labeled {protein;} 20mM {PiNa(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.05 mM '[U-13C; U-15N]' PiNa 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 20020425 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 0.854 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 6.0 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 13C-separated NOESY' '3D 15N-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 'PDZ 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 1 1 GLY HA2 H 3.911 0.030 1 2 1 1 GLY HA3 H 3.911 0.030 1 3 1 1 GLY CA C 43.521 0.300 1 4 3 3 SER C C 174.697 0.300 1 5 3 3 SER CA C 58.369 0.300 1 6 3 3 SER CB C 63.811 0.300 1 7 4 4 GLY H H 8.467 0.030 1 8 4 4 GLY C C 171.785 0.300 1 9 4 4 GLY CA C 44.620 0.300 1 10 4 4 GLY N N 110.921 0.300 1 11 5 5 SER H H 8.311 0.030 1 12 5 5 SER HA H 4.547 0.030 1 13 5 5 SER HB2 H 3.938 0.030 2 14 5 5 SER HB3 H 3.858 0.030 2 15 5 5 SER CA C 58.309 0.300 1 16 5 5 SER CB C 64.023 0.300 1 17 5 5 SER N N 115.763 0.300 1 18 6 6 SER H H 8.485 0.030 1 19 6 6 SER HA H 4.518 0.030 1 20 6 6 SER HB2 H 3.913 0.030 1 21 6 6 SER HB3 H 3.913 0.030 1 22 6 6 SER CA C 58.755 0.300 1 23 6 6 SER CB C 63.984 0.300 1 24 6 6 SER N N 118.016 0.300 1 25 7 7 GLY H H 8.460 0.030 1 26 7 7 GLY HA2 H 4.053 0.030 2 27 7 7 GLY HA3 H 4.016 0.030 2 28 7 7 GLY C C 173.175 0.300 1 29 7 7 GLY CA C 45.246 0.300 1 30 7 7 GLY N N 110.650 0.300 1 31 8 8 LEU H H 7.966 0.030 1 32 8 8 LEU HA H 4.528 0.030 1 33 8 8 LEU HB2 H 1.492 0.030 2 34 8 8 LEU HB3 H 1.396 0.030 2 35 8 8 LEU HD1 H 0.772 0.030 1 36 8 8 LEU HD2 H 0.759 0.030 1 37 8 8 LEU HG H 1.461 0.030 1 38 8 8 LEU C C 176.651 0.300 1 39 8 8 LEU CA C 54.647 0.300 1 40 8 8 LEU CB C 43.962 0.300 1 41 8 8 LEU CD1 C 25.010 0.300 2 42 8 8 LEU CD2 C 24.186 0.300 2 43 8 8 LEU CG C 26.922 0.300 1 44 8 8 LEU N N 121.167 0.300 1 45 9 9 GLU H H 8.906 0.030 1 46 9 9 GLU HA H 4.536 0.030 1 47 9 9 GLU HB2 H 2.166 0.030 2 48 9 9 GLU HB3 H 2.017 0.030 2 49 9 9 GLU HG2 H 2.313 0.030 2 50 9 9 GLU HG3 H 2.227 0.030 2 51 9 9 GLU C C 174.822 0.300 1 52 9 9 GLU CA C 55.702 0.300 1 53 9 9 GLU CB C 31.300 0.300 1 54 9 9 GLU CG C 36.383 0.300 1 55 9 9 GLU N N 125.421 0.300 1 56 10 10 LEU H H 8.297 0.030 1 57 10 10 LEU HA H 5.672 0.030 1 58 10 10 LEU HB2 H 1.666 0.030 2 59 10 10 LEU HB3 H 1.117 0.030 2 60 10 10 LEU HD1 H 0.818 0.030 1 61 10 10 LEU HD2 H 0.692 0.030 1 62 10 10 LEU HG H 1.543 0.030 1 63 10 10 LEU C C 178.032 0.300 1 64 10 10 LEU CA C 53.360 0.300 1 65 10 10 LEU CB C 43.990 0.300 1 66 10 10 LEU CD1 C 25.460 0.300 2 67 10 10 LEU CD2 C 24.234 0.300 2 68 10 10 LEU CG C 27.100 0.300 1 69 10 10 LEU N N 124.856 0.300 1 70 11 11 PHE H H 9.114 0.030 1 71 11 11 PHE HA H 5.205 0.030 1 72 11 11 PHE HB2 H 3.162 0.030 2 73 11 11 PHE HB3 H 2.995 0.030 2 74 11 11 PHE HD1 H 6.912 0.030 1 75 11 11 PHE HD2 H 6.912 0.030 1 76 11 11 PHE HE1 H 6.904 0.030 1 77 11 11 PHE HE2 H 6.904 0.030 1 78 11 11 PHE HZ H 7.170 0.030 1 79 11 11 PHE C C 171.899 0.300 1 80 11 11 PHE CA C 54.273 0.300 1 81 11 11 PHE CB C 39.111 0.300 1 82 11 11 PHE CD1 C 133.207 0.300 1 83 11 11 PHE CD2 C 133.207 0.300 1 84 11 11 PHE CE1 C 130.085 0.300 1 85 11 11 PHE CE2 C 130.085 0.300 1 86 11 11 PHE CZ C 129.644 0.300 1 87 11 11 PHE N N 119.703 0.300 1 88 12 12 PRO HA H 5.462 0.030 1 89 12 12 PRO HB2 H 2.197 0.030 2 90 12 12 PRO HB3 H 2.078 0.030 2 91 12 12 PRO HD2 H 3.993 0.030 2 92 12 12 PRO HD3 H 3.848 0.030 2 93 12 12 PRO HG2 H 2.273 0.030 2 94 12 12 PRO HG3 H 2.162 0.030 2 95 12 12 PRO C C 177.090 0.300 1 96 12 12 PRO CA C 61.495 0.300 1 97 12 12 PRO CB C 32.446 0.300 1 98 12 12 PRO CD C 50.546 0.300 1 99 12 12 PRO CG C 27.047 0.300 1 100 13 13 VAL H H 8.473 0.030 1 101 13 13 VAL HA H 4.036 0.030 1 102 13 13 VAL HB H 1.725 0.030 1 103 13 13 VAL HG1 H 0.928 0.030 1 104 13 13 VAL HG2 H 0.907 0.030 1 105 13 13 VAL C C 173.645 0.300 1 106 13 13 VAL CA C 62.756 0.300 1 107 13 13 VAL CB C 37.618 0.300 1 108 13 13 VAL CG1 C 23.944 0.300 2 109 13 13 VAL CG2 C 21.140 0.300 2 110 13 13 VAL N N 119.583 0.300 1 111 14 14 GLU H H 7.649 0.030 1 112 14 14 GLU HA H 5.579 0.030 1 113 14 14 GLU HB2 H 2.074 0.030 2 114 14 14 GLU HB3 H 2.010 0.030 2 115 14 14 GLU HG2 H 2.201 0.030 2 116 14 14 GLU HG3 H 2.164 0.030 2 117 14 14 GLU C C 174.779 0.300 1 118 14 14 GLU CA C 55.137 0.300 1 119 14 14 GLU CB C 31.137 0.300 1 120 14 14 GLU CG C 36.534 0.300 1 121 14 14 GLU N N 127.003 0.300 1 122 15 15 LEU H H 8.899 0.030 1 123 15 15 LEU HA H 4.833 0.030 1 124 15 15 LEU HB2 H 1.526 0.030 2 125 15 15 LEU HB3 H 1.420 0.030 2 126 15 15 LEU HD1 H 0.784 0.030 1 127 15 15 LEU HD2 H 0.879 0.030 1 128 15 15 LEU HG H 1.543 0.030 1 129 15 15 LEU C C 174.735 0.300 1 130 15 15 LEU CA C 53.130 0.300 1 131 15 15 LEU CB C 46.766 0.300 1 132 15 15 LEU CD1 C 25.650 0.300 2 133 15 15 LEU CD2 C 24.883 0.300 2 134 15 15 LEU CG C 26.760 0.300 1 135 15 15 LEU N N 122.390 0.300 1 136 16 16 GLU H H 8.523 0.030 1 137 16 16 GLU HA H 4.842 0.030 1 138 16 16 GLU HB2 H 1.931 0.030 2 139 16 16 GLU HB3 H 1.852 0.030 2 140 16 16 GLU HG2 H 2.185 0.030 1 141 16 16 GLU HG3 H 2.185 0.030 1 142 16 16 GLU C C 175.952 0.300 1 143 16 16 GLU CA C 54.609 0.300 1 144 16 16 GLU CB C 30.723 0.300 1 145 16 16 GLU CG C 36.064 0.300 1 146 16 16 GLU N N 122.797 0.300 1 147 17 17 LYS H H 8.599 0.030 1 148 17 17 LYS HA H 3.828 0.030 1 149 17 17 LYS HB2 H 1.938 0.030 2 150 17 17 LYS HB3 H 1.639 0.030 2 151 17 17 LYS HD2 H 1.625 0.030 2 152 17 17 LYS HD3 H 1.572 0.030 2 153 17 17 LYS HE2 H 2.896 0.030 1 154 17 17 LYS HE3 H 2.896 0.030 1 155 17 17 LYS HG2 H 1.303 0.030 2 156 17 17 LYS HG3 H 1.250 0.030 2 157 17 17 LYS C C 176.982 0.300 1 158 17 17 LYS CA C 57.767 0.300 1 159 17 17 LYS CB C 34.310 0.300 1 160 17 17 LYS CD C 30.095 0.300 1 161 17 17 LYS CE C 42.479 0.300 1 162 17 17 LYS CG C 26.423 0.300 1 163 17 17 LYS N N 124.854 0.300 1 164 18 18 ASP H H 7.594 0.030 1 165 18 18 ASP HA H 4.964 0.030 1 166 18 18 ASP HB2 H 3.207 0.030 2 167 18 18 ASP HB3 H 2.807 0.030 2 168 18 18 ASP C C 178.125 0.300 1 169 18 18 ASP CA C 52.820 0.300 1 170 18 18 ASP CB C 41.939 0.300 1 171 18 18 ASP N N 123.644 0.300 1 172 19 19 GLU H H 9.019 0.030 1 173 19 19 GLU HA H 4.065 0.030 1 174 19 19 GLU HB2 H 2.061 0.030 1 175 19 19 GLU HB3 H 2.061 0.030 1 176 19 19 GLU HG2 H 2.337 0.030 1 177 19 19 GLU HG3 H 2.337 0.030 1 178 19 19 GLU C C 177.395 0.300 1 179 19 19 GLU CA C 59.557 0.300 1 180 19 19 GLU CB C 29.172 0.300 1 181 19 19 GLU CG C 36.318 0.300 1 182 19 19 GLU N N 119.975 0.300 1 183 20 20 ASP H H 8.431 0.030 1 184 20 20 ASP HA H 4.827 0.030 1 185 20 20 ASP HB2 H 2.838 0.030 2 186 20 20 ASP HB3 H 2.670 0.030 2 187 20 20 ASP C C 176.347 0.300 1 188 20 20 ASP CA C 54.365 0.300 1 189 20 20 ASP CB C 41.492 0.300 1 190 20 20 ASP N N 116.725 0.300 1 191 21 21 GLY H H 8.044 0.030 1 192 21 21 GLY HA2 H 4.608 0.030 2 193 21 21 GLY HA3 H 3.605 0.030 2 194 21 21 GLY C C 174.744 0.300 1 195 21 21 GLY CA C 45.227 0.300 1 196 21 21 GLY N N 108.171 0.300 1 197 22 22 LEU H H 9.195 0.030 1 198 22 22 LEU HA H 4.183 0.030 1 199 22 22 LEU HB2 H 1.944 0.030 2 200 22 22 LEU HB3 H 1.434 0.030 2 201 22 22 LEU HD1 H 1.100 0.030 1 202 22 22 LEU HD2 H 0.925 0.030 1 203 22 22 LEU HG H 1.707 0.030 1 204 22 22 LEU C C 176.949 0.300 1 205 22 22 LEU CA C 56.299 0.300 1 206 22 22 LEU CB C 44.275 0.300 1 207 22 22 LEU CD1 C 26.285 0.300 2 208 22 22 LEU CD2 C 23.852 0.300 2 209 22 22 LEU CG C 27.237 0.300 1 210 22 22 LEU N N 123.689 0.300 1 211 23 23 GLY H H 8.835 0.030 1 212 23 23 GLY HA2 H 4.225 0.030 2 213 23 23 GLY HA3 H 3.911 0.030 2 214 23 23 GLY C C 176.066 0.300 1 215 23 23 GLY CA C 46.355 0.300 1 216 23 23 GLY N N 105.215 0.300 1 217 24 24 ILE H H 7.179 0.030 1 218 24 24 ILE HA H 5.162 0.030 1 219 24 24 ILE HB H 1.729 0.030 1 220 24 24 ILE HD1 H 0.556 0.030 1 221 24 24 ILE HG12 H 1.300 0.030 2 222 24 24 ILE HG13 H 0.715 0.030 2 223 24 24 ILE HG2 H 0.761 0.030 1 224 24 24 ILE C C 174.891 0.300 1 225 24 24 ILE CA C 59.399 0.300 1 226 24 24 ILE CB C 43.299 0.300 1 227 24 24 ILE CD1 C 13.849 0.300 1 228 24 24 ILE CG1 C 25.523 0.300 1 229 24 24 ILE CG2 C 18.741 0.300 1 230 24 24 ILE N N 112.106 0.300 1 231 25 25 SER H H 8.321 0.030 1 232 25 25 SER HA H 4.992 0.030 1 233 25 25 SER HB2 H 3.930 0.030 2 234 25 25 SER HB3 H 3.830 0.030 2 235 25 25 SER C C 174.490 0.300 1 236 25 25 SER CA C 57.047 0.300 1 237 25 25 SER CB C 65.710 0.300 1 238 25 25 SER N N 117.096 0.300 1 239 26 26 ILE H H 8.565 0.030 1 240 26 26 ILE HA H 5.565 0.030 1 241 26 26 ILE HB H 1.891 0.030 1 242 26 26 ILE HD1 H 0.788 0.030 1 243 26 26 ILE HG12 H 1.433 0.030 2 244 26 26 ILE HG13 H 1.113 0.030 2 245 26 26 ILE HG2 H 0.633 0.030 1 246 26 26 ILE C C 174.731 0.300 1 247 26 26 ILE CA C 59.659 0.300 1 248 26 26 ILE CB C 42.779 0.300 1 249 26 26 ILE CD1 C 15.045 0.300 1 250 26 26 ILE CG1 C 25.523 0.300 1 251 26 26 ILE CG2 C 19.182 0.300 1 252 26 26 ILE N N 115.675 0.300 1 253 27 27 ILE H H 9.116 0.030 1 254 27 27 ILE HA H 4.606 0.030 1 255 27 27 ILE HB H 1.772 0.030 1 256 27 27 ILE HD1 H 0.989 0.030 1 257 27 27 ILE HG12 H 1.652 0.030 2 258 27 27 ILE HG13 H 1.249 0.030 2 259 27 27 ILE HG2 H 0.932 0.030 1 260 27 27 ILE C C 173.474 0.300 1 261 27 27 ILE CA C 59.629 0.300 1 262 27 27 ILE CB C 42.843 0.300 1 263 27 27 ILE CD1 C 14.602 0.300 1 264 27 27 ILE CG1 C 28.519 0.300 1 265 27 27 ILE CG2 C 17.141 0.300 1 266 27 27 ILE N N 118.212 0.300 1 267 28 28 GLY H H 8.541 0.030 1 268 28 28 GLY HA2 H 5.478 0.030 2 269 28 28 GLY HA3 H 3.555 0.030 2 270 28 28 GLY C C 173.203 0.300 1 271 28 28 GLY CA C 44.782 0.300 1 272 28 28 GLY N N 112.896 0.300 1 273 29 29 MET H H 8.992 0.030 1 274 29 29 MET HA H 4.815 0.030 1 275 29 29 MET HB2 H 2.077 0.030 2 276 29 29 MET HB3 H 1.918 0.030 2 277 29 29 MET HE H 1.734 0.030 1 278 29 29 MET HG2 H 2.424 0.030 2 279 29 29 MET HG3 H 2.340 0.030 2 280 29 29 MET C C 175.184 0.300 1 281 29 29 MET CA C 55.108 0.300 1 282 29 29 MET CB C 36.300 0.300 1 283 29 29 MET CE C 16.791 0.300 1 284 29 29 MET CG C 31.795 0.300 1 285 29 29 MET N N 121.850 0.300 1 286 30 30 GLY H H 8.752 0.030 1 287 30 30 GLY HA2 H 4.364 0.030 2 288 30 30 GLY HA3 H 3.830 0.030 2 289 30 30 GLY C C 173.725 0.300 1 290 30 30 GLY CA C 45.512 0.300 1 291 30 30 GLY N N 110.652 0.300 1 292 31 31 VAL H H 8.489 0.030 1 293 31 31 VAL HA H 4.364 0.030 1 294 31 31 VAL HB H 2.189 0.030 1 295 31 31 VAL HG1 H 0.984 0.030 1 296 31 31 VAL HG2 H 0.932 0.030 1 297 31 31 VAL C C 176.358 0.300 1 298 31 31 VAL CA C 61.603 0.300 1 299 31 31 VAL CB C 33.468 0.300 1 300 31 31 VAL CG1 C 21.367 0.300 2 301 31 31 VAL CG2 C 20.069 0.300 2 302 31 31 VAL N N 119.626 0.300 1 303 32 32 GLY H H 8.535 0.030 1 304 32 32 GLY HA2 H 4.093 0.030 2 305 32 32 GLY HA3 H 3.924 0.030 2 306 32 32 GLY C C 174.101 0.300 1 307 32 32 GLY CA C 45.284 0.300 1 308 32 32 GLY N N 112.376 0.300 1 309 33 33 ALA H H 8.407 0.030 1 310 33 33 ALA HA H 4.334 0.030 1 311 33 33 ALA HB H 1.374 0.030 1 312 33 33 ALA C C 177.715 0.300 1 313 33 33 ALA CA C 53.015 0.300 1 314 33 33 ALA CB C 19.518 0.300 1 315 33 33 ALA N N 123.930 0.300 1 316 34 34 ASP H H 8.331 0.030 1 317 34 34 ASP HA H 4.559 0.030 1 318 34 34 ASP HB2 H 2.719 0.030 2 319 34 34 ASP HB3 H 2.630 0.030 2 320 34 34 ASP C C 176.040 0.300 1 321 34 34 ASP CA C 54.514 0.300 1 322 34 34 ASP CB C 41.172 0.300 1 323 34 34 ASP N N 118.309 0.300 1 324 35 35 ALA H H 8.166 0.030 1 325 35 35 ALA HA H 4.256 0.030 1 326 35 35 ALA HB H 1.397 0.030 1 327 35 35 ALA C C 178.010 0.300 1 328 35 35 ALA CA C 52.904 0.300 1 329 35 35 ALA CB C 18.938 0.300 1 330 35 35 ALA N N 123.812 0.300 1 331 36 36 GLY H H 8.328 0.030 1 332 36 36 GLY HA2 H 4.023 0.030 2 333 36 36 GLY HA3 H 3.883 0.030 2 334 36 36 GLY C C 174.156 0.300 1 335 36 36 GLY CA C 45.520 0.300 1 336 36 36 GLY N N 107.372 0.300 1 337 37 37 LEU H H 7.939 0.030 1 338 37 37 LEU HA H 4.382 0.030 1 339 37 37 LEU HB2 H 1.622 0.030 1 340 37 37 LEU HB3 H 1.622 0.030 1 341 37 37 LEU HD1 H 0.925 0.030 1 342 37 37 LEU HD2 H 0.873 0.030 1 343 37 37 LEU HG H 1.597 0.030 1 344 37 37 LEU C C 176.829 0.300 1 345 37 37 LEU CA C 55.003 0.300 1 346 37 37 LEU CB C 42.703 0.300 1 347 37 37 LEU CD1 C 25.087 0.300 2 348 37 37 LEU CD2 C 23.618 0.300 2 349 37 37 LEU CG C 26.983 0.300 1 350 37 37 LEU N N 121.203 0.300 1 351 38 38 GLU H H 8.457 0.030 1 352 38 38 GLU HA H 4.243 0.030 1 353 38 38 GLU HB2 H 1.996 0.030 2 354 38 38 GLU HB3 H 1.912 0.030 2 355 38 38 GLU HG2 H 2.222 0.030 2 356 38 38 GLU HG3 H 2.161 0.030 2 357 38 38 GLU C C 175.705 0.300 1 358 38 38 GLU CA C 56.915 0.300 1 359 38 38 GLU CB C 30.330 0.300 1 360 38 38 GLU CG C 36.508 0.300 1 361 38 38 GLU N N 120.640 0.300 1 362 39 39 LYS H H 8.168 0.030 1 363 39 39 LYS HA H 4.372 0.030 1 364 39 39 LYS HB2 H 1.685 0.030 1 365 39 39 LYS HB3 H 1.685 0.030 1 366 39 39 LYS HD2 H 1.620 0.030 2 367 39 39 LYS HD3 H 1.586 0.030 2 368 39 39 LYS HE2 H 2.915 0.030 1 369 39 39 LYS HE3 H 2.915 0.030 1 370 39 39 LYS HG2 H 1.372 0.030 2 371 39 39 LYS HG3 H 1.306 0.030 2 372 39 39 LYS C C 175.284 0.300 1 373 39 39 LYS CA C 55.140 0.300 1 374 39 39 LYS CB C 33.625 0.300 1 375 39 39 LYS CD C 29.269 0.300 1 376 39 39 LYS CE C 42.200 0.300 1 377 39 39 LYS CG C 24.789 0.300 1 378 39 39 LYS N N 122.280 0.300 1 379 40 40 LEU H H 8.433 0.030 1 380 40 40 LEU HA H 4.693 0.030 1 381 40 40 LEU HB2 H 1.657 0.030 2 382 40 40 LEU HB3 H 1.612 0.030 2 383 40 40 LEU HD1 H 0.815 0.030 1 384 40 40 LEU HD2 H 0.759 0.030 1 385 40 40 LEU HG H 1.650 0.030 1 386 40 40 LEU C C 177.562 0.300 1 387 40 40 LEU CA C 55.186 0.300 1 388 40 40 LEU CB C 43.270 0.300 1 389 40 40 LEU CD1 C 25.542 0.300 2 390 40 40 LEU CD2 C 23.173 0.300 2 391 40 40 LEU CG C 27.038 0.300 1 392 40 40 LEU N N 123.360 0.300 1 393 41 41 GLY H H 8.707 0.030 1 394 41 41 GLY HA2 H 4.536 0.030 2 395 41 41 GLY HA3 H 3.621 0.030 2 396 41 41 GLY C C 171.252 0.300 1 397 41 41 GLY CA C 44.025 0.300 1 398 41 41 GLY N N 108.674 0.300 1 399 42 42 ILE H H 8.817 0.030 1 400 42 42 ILE HA H 4.762 0.030 1 401 42 42 ILE HB H 2.210 0.030 1 402 42 42 ILE HD1 H 0.630 0.030 1 403 42 42 ILE HG12 H 1.902 0.030 2 404 42 42 ILE HG13 H 1.177 0.030 2 405 42 42 ILE HG2 H 0.762 0.030 1 406 42 42 ILE C C 174.015 0.300 1 407 42 42 ILE CA C 57.527 0.300 1 408 42 42 ILE CB C 36.034 0.300 1 409 42 42 ILE CD1 C 8.759 0.300 1 410 42 42 ILE CG1 C 26.416 0.300 1 411 42 42 ILE CG2 C 18.333 0.300 1 412 42 42 ILE N N 122.063 0.300 1 413 43 43 PHE H H 9.155 0.030 1 414 43 43 PHE HA H 5.402 0.030 1 415 43 43 PHE HB2 H 2.743 0.030 2 416 43 43 PHE HB3 H 2.698 0.030 2 417 43 43 PHE HD1 H 7.089 0.030 1 418 43 43 PHE HD2 H 7.089 0.030 1 419 43 43 PHE HE1 H 7.245 0.030 1 420 43 43 PHE HE2 H 7.245 0.030 1 421 43 43 PHE HZ H 7.112 0.030 1 422 43 43 PHE C C 175.561 0.300 1 423 43 43 PHE CA C 55.633 0.300 1 424 43 43 PHE CB C 43.128 0.300 1 425 43 43 PHE CD1 C 132.200 0.300 1 426 43 43 PHE CD2 C 132.200 0.300 1 427 43 43 PHE CE1 C 130.888 0.300 1 428 43 43 PHE CE2 C 130.888 0.300 1 429 43 43 PHE CZ C 129.417 0.300 1 430 43 43 PHE N N 124.555 0.300 1 431 44 44 VAL H H 9.030 0.030 1 432 44 44 VAL HA H 3.893 0.030 1 433 44 44 VAL HB H 2.236 0.030 1 434 44 44 VAL HG1 H 0.683 0.030 1 435 44 44 VAL HG2 H 0.770 0.030 1 436 44 44 VAL C C 175.712 0.300 1 437 44 44 VAL CA C 63.810 0.300 1 438 44 44 VAL CB C 31.680 0.300 1 439 44 44 VAL CG1 C 22.516 0.300 2 440 44 44 VAL CG2 C 21.318 0.300 2 441 44 44 VAL N N 120.380 0.300 1 442 45 45 LYS H H 9.365 0.030 1 443 45 45 LYS HA H 4.420 0.030 1 444 45 45 LYS HB2 H 1.769 0.030 2 445 45 45 LYS HB3 H 1.463 0.030 2 446 45 45 LYS HD2 H 1.725 0.030 2 447 45 45 LYS HD3 H 1.556 0.030 2 448 45 45 LYS HE2 H 2.953 0.030 1 449 45 45 LYS HE3 H 2.953 0.030 1 450 45 45 LYS HG2 H 1.396 0.030 1 451 45 45 LYS HG3 H 1.396 0.030 1 452 45 45 LYS C C 175.428 0.300 1 453 45 45 LYS CA C 57.240 0.300 1 454 45 45 LYS CB C 34.084 0.300 1 455 45 45 LYS CD C 29.079 0.300 1 456 45 45 LYS CE C 42.273 0.300 1 457 45 45 LYS CG C 24.779 0.300 1 458 45 45 LYS N N 133.472 0.300 1 459 46 46 THR H H 7.279 0.030 1 460 46 46 THR HA H 4.504 0.030 1 461 46 46 THR HB H 3.921 0.030 1 462 46 46 THR HG2 H 1.082 0.030 1 463 46 46 THR C C 171.961 0.300 1 464 46 46 THR CA C 60.466 0.300 1 465 46 46 THR CB C 72.552 0.300 1 466 46 46 THR CG2 C 22.411 0.300 1 467 46 46 THR N N 107.187 0.300 1 468 47 47 VAL H H 8.405 0.030 1 469 47 47 VAL HA H 4.442 0.030 1 470 47 47 VAL HB H 1.891 0.030 1 471 47 47 VAL HG1 H 0.795 0.030 1 472 47 47 VAL HG2 H 0.693 0.030 1 473 47 47 VAL C C 175.536 0.300 1 474 47 47 VAL CA C 61.443 0.300 1 475 47 47 VAL CB C 33.367 0.300 1 476 47 47 VAL CG1 C 21.698 0.300 2 477 47 47 VAL CG2 C 21.154 0.300 2 478 47 47 VAL N N 121.746 0.300 1 479 48 48 THR H H 8.062 0.030 1 480 48 48 THR HA H 3.901 0.030 1 481 48 48 THR HB H 3.793 0.030 1 482 48 48 THR HG2 H 1.208 0.030 1 483 48 48 THR C C 175.603 0.300 1 484 48 48 THR CA C 63.602 0.300 1 485 48 48 THR CB C 69.485 0.300 1 486 48 48 THR CG2 C 22.155 0.300 1 487 48 48 THR N N 123.165 0.300 1 488 49 49 GLU H H 9.328 0.030 1 489 49 49 GLU HA H 3.938 0.030 1 490 49 49 GLU HB2 H 2.044 0.030 2 491 49 49 GLU HB3 H 1.958 0.030 2 492 49 49 GLU HG2 H 2.292 0.030 2 493 49 49 GLU HG3 H 2.259 0.030 2 494 49 49 GLU C C 177.181 0.300 1 495 49 49 GLU CA C 58.626 0.300 1 496 49 49 GLU CB C 28.970 0.300 1 497 49 49 GLU CG C 35.635 0.300 1 498 49 49 GLU N N 131.677 0.300 1 499 50 50 GLY H H 9.022 0.030 1 500 50 50 GLY HA2 H 4.257 0.030 2 501 50 50 GLY HA3 H 3.742 0.030 2 502 50 50 GLY C C 174.608 0.300 1 503 50 50 GLY CA C 45.523 0.300 1 504 50 50 GLY N N 115.640 0.300 1 505 51 51 GLY H H 7.635 0.030 1 506 51 51 GLY HA2 H 4.350 0.030 2 507 51 51 GLY HA3 H 3.891 0.030 2 508 51 51 GLY C C 173.966 0.300 1 509 51 51 GLY CA C 45.017 0.300 1 510 51 51 GLY N N 106.590 0.300 1 511 52 52 ALA H H 8.854 0.030 1 512 52 52 ALA HA H 3.915 0.030 1 513 52 52 ALA HB H 1.507 0.030 1 514 52 52 ALA C C 180.848 0.300 1 515 52 52 ALA CA C 55.874 0.300 1 516 52 52 ALA CB C 18.239 0.300 1 517 52 52 ALA N N 120.427 0.300 1 518 53 53 ALA H H 7.772 0.030 1 519 53 53 ALA HA H 4.129 0.030 1 520 53 53 ALA HB H 1.268 0.030 1 521 53 53 ALA C C 180.948 0.300 1 522 53 53 ALA CA C 54.926 0.300 1 523 53 53 ALA CB C 18.555 0.300 1 524 53 53 ALA N N 118.661 0.300 1 525 54 54 GLN H H 9.401 0.030 1 526 54 54 GLN HA H 3.932 0.030 1 527 54 54 GLN HB2 H 2.244 0.030 2 528 54 54 GLN HB3 H 1.971 0.030 2 529 54 54 GLN HE21 H 7.556 0.030 2 530 54 54 GLN HE22 H 7.067 0.030 2 531 54 54 GLN HG2 H 2.510 0.030 2 532 54 54 GLN HG3 H 2.310 0.030 2 533 54 54 GLN C C 178.022 0.300 1 534 54 54 GLN CA C 59.744 0.300 1 535 54 54 GLN CB C 28.142 0.300 1 536 54 54 GLN CG C 34.487 0.300 1 537 54 54 GLN N N 124.821 0.300 1 538 54 54 GLN NE2 N 114.451 0.300 1 539 55 55 ARG H H 8.450 0.030 1 540 55 55 ARG HA H 3.862 0.030 1 541 55 55 ARG HB2 H 1.825 0.030 2 542 55 55 ARG HB3 H 1.797 0.030 2 543 55 55 ARG HD2 H 3.288 0.030 2 544 55 55 ARG HD3 H 3.174 0.030 2 545 55 55 ARG HE H 7.103 0.030 1 546 55 55 ARG HG2 H 1.836 0.030 2 547 55 55 ARG HG3 H 1.478 0.030 2 548 55 55 ARG C C 178.502 0.300 1 549 55 55 ARG CA C 59.684 0.300 1 550 55 55 ARG CB C 30.157 0.300 1 551 55 55 ARG CD C 43.430 0.300 1 552 55 55 ARG CG C 28.198 0.300 1 553 55 55 ARG N N 117.837 0.300 1 554 55 55 ARG NE N 82.995 0.300 1 555 56 56 ASP H H 7.544 0.030 1 556 56 56 ASP HA H 4.424 0.030 1 557 56 56 ASP HB2 H 2.784 0.030 2 558 56 56 ASP HB3 H 2.588 0.030 2 559 56 56 ASP C C 177.686 0.300 1 560 56 56 ASP CA C 57.160 0.300 1 561 56 56 ASP CB C 44.221 0.300 1 562 56 56 ASP N N 117.603 0.300 1 563 57 57 GLY H H 7.515 0.030 1 564 57 57 GLY HA2 H 4.083 0.030 2 565 57 57 GLY HA3 H 3.912 0.030 2 566 57 57 GLY C C 175.086 0.300 1 567 57 57 GLY CA C 46.410 0.300 1 568 57 57 GLY N N 103.606 0.300 1 569 58 58 ARG H H 7.908 0.030 1 570 58 58 ARG HA H 4.271 0.030 1 571 58 58 ARG HB2 H 2.075 0.030 2 572 58 58 ARG HB3 H 1.755 0.030 2 573 58 58 ARG HD2 H 3.449 0.030 2 574 58 58 ARG HD3 H 3.165 0.030 2 575 58 58 ARG HE H 9.191 0.030 1 576 58 58 ARG HG2 H 1.731 0.030 1 577 58 58 ARG HG3 H 1.731 0.030 1 578 58 58 ARG C C 176.519 0.300 1 579 58 58 ARG CA C 59.140 0.300 1 580 58 58 ARG CB C 33.452 0.300 1 581 58 58 ARG CD C 44.257 0.300 1 582 58 58 ARG CG C 27.753 0.300 1 583 58 58 ARG N N 119.193 0.300 1 584 58 58 ARG NE N 87.724 0.300 1 585 59 59 ILE H H 8.894 0.030 1 586 59 59 ILE HA H 3.919 0.030 1 587 59 59 ILE HB H 1.386 0.030 1 588 59 59 ILE HD1 H 0.313 0.030 1 589 59 59 ILE HG12 H 1.722 0.030 2 590 59 59 ILE HG13 H 0.667 0.030 2 591 59 59 ILE HG2 H 0.705 0.030 1 592 59 59 ILE C C 174.240 0.300 1 593 59 59 ILE CA C 62.696 0.300 1 594 59 59 ILE CB C 38.888 0.300 1 595 59 59 ILE CD1 C 13.107 0.300 1 596 59 59 ILE CG1 C 29.607 0.300 1 597 59 59 ILE CG2 C 18.474 0.300 1 598 59 59 ILE N N 120.252 0.300 1 599 60 60 GLN H H 9.169 0.030 1 600 60 60 GLN HA H 4.608 0.030 1 601 60 60 GLN HB2 H 2.078 0.030 2 602 60 60 GLN HB3 H 1.855 0.030 2 603 60 60 GLN HE21 H 7.106 0.030 2 604 60 60 GLN HE22 H 6.768 0.030 2 605 60 60 GLN HG2 H 2.399 0.030 2 606 60 60 GLN HG3 H 2.326 0.030 2 607 60 60 GLN C C 175.294 0.300 1 608 60 60 GLN CA C 53.031 0.300 1 609 60 60 GLN CB C 32.288 0.300 1 610 60 60 GLN CG C 33.444 0.300 1 611 60 60 GLN N N 125.857 0.300 1 612 60 60 GLN NE2 N 111.422 0.300 1 613 61 61 VAL H H 8.312 0.030 1 614 61 61 VAL HA H 3.267 0.030 1 615 61 61 VAL HB H 1.866 0.030 1 616 61 61 VAL HG1 H 0.957 0.030 1 617 61 61 VAL HG2 H 0.973 0.030 1 618 61 61 VAL C C 177.655 0.300 1 619 61 61 VAL CA C 65.460 0.300 1 620 61 61 VAL CB C 31.796 0.300 1 621 61 61 VAL CG1 C 21.395 0.300 2 622 61 61 VAL CG2 C 23.047 0.300 2 623 61 61 VAL N N 119.243 0.300 1 624 62 62 ASN H H 9.211 0.030 1 625 62 62 ASN HA H 4.335 0.030 1 626 62 62 ASN HB2 H 3.425 0.030 2 627 62 62 ASN HB3 H 3.146 0.030 2 628 62 62 ASN HD21 H 7.666 0.030 2 629 62 62 ASN HD22 H 6.812 0.030 2 630 62 62 ASN C C 174.777 0.300 1 631 62 62 ASN CA C 56.309 0.300 1 632 62 62 ASN CB C 37.390 0.300 1 633 62 62 ASN N N 119.518 0.300 1 634 62 62 ASN ND2 N 113.036 0.300 1 635 63 63 ASP H H 8.098 0.030 1 636 63 63 ASP HA H 4.845 0.030 1 637 63 63 ASP HB2 H 2.730 0.030 2 638 63 63 ASP HB3 H 2.593 0.030 2 639 63 63 ASP C C 175.350 0.300 1 640 63 63 ASP CA C 55.937 0.300 1 641 63 63 ASP CB C 40.999 0.300 1 642 63 63 ASP N N 121.760 0.300 1 643 64 64 GLN H H 9.311 0.030 1 644 64 64 GLN HA H 4.378 0.030 1 645 64 64 GLN HB2 H 1.763 0.030 2 646 64 64 GLN HB3 H 1.613 0.030 2 647 64 64 GLN HE21 H 7.493 0.030 2 648 64 64 GLN HE22 H 6.593 0.030 2 649 64 64 GLN HG2 H 1.428 0.030 2 650 64 64 GLN HG3 H 1.326 0.030 2 651 64 64 GLN C C 176.417 0.300 1 652 64 64 GLN CA C 54.146 0.300 1 653 64 64 GLN CB C 29.840 0.300 1 654 64 64 GLN CG C 32.952 0.300 1 655 64 64 GLN N N 121.662 0.300 1 656 64 64 GLN NE2 N 105.991 0.300 1 657 65 65 ILE H H 8.822 0.030 1 658 65 65 ILE HA H 4.124 0.030 1 659 65 65 ILE HB H 1.614 0.030 1 660 65 65 ILE HD1 H 0.500 0.030 1 661 65 65 ILE HG12 H 1.304 0.030 2 662 65 65 ILE HG13 H 0.547 0.030 2 663 65 65 ILE HG2 H 0.750 0.030 1 664 65 65 ILE C C 174.735 0.300 1 665 65 65 ILE CA C 61.184 0.300 1 666 65 65 ILE CB C 36.668 0.300 1 667 65 65 ILE CD1 C 13.204 0.300 1 668 65 65 ILE CG1 C 26.503 0.300 1 669 65 65 ILE CG2 C 20.261 0.300 1 670 65 65 ILE N N 126.003 0.300 1 671 66 66 VAL H H 8.554 0.030 1 672 66 66 VAL HA H 3.739 0.030 1 673 66 66 VAL HB H 1.705 0.030 1 674 66 66 VAL HG1 H 0.781 0.030 1 675 66 66 VAL HG2 H 0.600 0.030 1 676 66 66 VAL C C 176.518 0.300 1 677 66 66 VAL CA C 64.731 0.300 1 678 66 66 VAL CB C 32.603 0.300 1 679 66 66 VAL CG1 C 20.959 0.300 2 680 66 66 VAL CG2 C 21.392 0.300 2 681 66 66 VAL N N 128.804 0.300 1 682 67 67 GLU H H 7.898 0.030 1 683 67 67 GLU HA H 5.138 0.030 1 684 67 67 GLU HB2 H 1.788 0.030 2 685 67 67 GLU HB3 H 1.723 0.030 2 686 67 67 GLU HG2 H 1.868 0.030 1 687 67 67 GLU HG3 H 1.868 0.030 1 688 67 67 GLU C C 174.487 0.300 1 689 67 67 GLU CA C 55.200 0.300 1 690 67 67 GLU CB C 35.738 0.300 1 691 67 67 GLU CG C 37.223 0.300 1 692 67 67 GLU N N 119.545 0.300 1 693 68 68 VAL H H 8.561 0.030 1 694 68 68 VAL HA H 4.518 0.030 1 695 68 68 VAL HB H 1.646 0.030 1 696 68 68 VAL HG1 H 0.474 0.030 1 697 68 68 VAL HG2 H 0.582 0.030 1 698 68 68 VAL C C 174.342 0.300 1 699 68 68 VAL CA C 60.403 0.300 1 700 68 68 VAL CB C 34.663 0.300 1 701 68 68 VAL CG1 C 20.614 0.300 2 702 68 68 VAL CG2 C 22.750 0.300 2 703 68 68 VAL N N 122.329 0.300 1 704 69 69 ASP H H 9.657 0.030 1 705 69 69 ASP HA H 4.190 0.030 1 706 69 69 ASP HB2 H 2.862 0.030 2 707 69 69 ASP HB3 H 2.565 0.030 2 708 69 69 ASP C C 176.048 0.300 1 709 69 69 ASP CA C 55.660 0.300 1 710 69 69 ASP CB C 39.609 0.300 1 711 69 69 ASP N N 127.285 0.300 1 712 70 70 GLY H H 8.342 0.030 1 713 70 70 GLY HA2 H 4.058 0.030 2 714 70 70 GLY HA3 H 3.572 0.030 2 715 70 70 GLY C C 173.812 0.300 1 716 70 70 GLY CA C 45.411 0.300 1 717 70 70 GLY N N 102.433 0.300 1 718 71 71 ILE H H 8.530 0.030 1 719 71 71 ILE HA H 4.066 0.030 1 720 71 71 ILE HB H 2.197 0.030 1 721 71 71 ILE HD1 H 0.865 0.030 1 722 71 71 ILE HG12 H 1.542 0.030 2 723 71 71 ILE HG13 H 1.031 0.030 2 724 71 71 ILE HG2 H 1.033 0.030 1 725 71 71 ILE C C 175.567 0.300 1 726 71 71 ILE CA C 60.493 0.300 1 727 71 71 ILE CB C 38.196 0.300 1 728 71 71 ILE CD1 C 13.450 0.300 1 729 71 71 ILE CG1 C 27.419 0.300 1 730 71 71 ILE CG2 C 17.141 0.300 1 731 71 71 ILE N N 124.603 0.300 1 732 72 72 SER H H 8.658 0.030 1 733 72 72 SER HA H 4.466 0.030 1 734 72 72 SER HB2 H 4.062 0.030 2 735 72 72 SER HB3 H 3.866 0.030 2 736 72 72 SER C C 175.643 0.300 1 737 72 72 SER CA C 58.728 0.300 1 738 72 72 SER CB C 63.519 0.300 1 739 72 72 SER N N 120.492 0.300 1 740 73 73 LEU H H 8.279 0.030 1 741 73 73 LEU HA H 4.837 0.030 1 742 73 73 LEU HB2 H 1.865 0.030 2 743 73 73 LEU HB3 H 1.538 0.030 2 744 73 73 LEU HD1 H 0.786 0.030 1 745 73 73 LEU HD2 H 0.901 0.030 1 746 73 73 LEU HG H 1.633 0.030 1 747 73 73 LEU C C 177.029 0.300 1 748 73 73 LEU CA C 53.277 0.300 1 749 73 73 LEU CB C 40.161 0.300 1 750 73 73 LEU CD1 C 25.824 0.300 2 751 73 73 LEU CD2 C 23.673 0.300 2 752 73 73 LEU CG C 27.525 0.300 1 753 73 73 LEU N N 125.632 0.300 1 754 74 74 VAL H H 8.033 0.030 1 755 74 74 VAL HA H 3.975 0.030 1 756 74 74 VAL HB H 1.915 0.030 1 757 74 74 VAL HG1 H 0.908 0.030 1 758 74 74 VAL HG2 H 1.035 0.030 1 759 74 74 VAL C C 176.190 0.300 1 760 74 74 VAL CA C 63.655 0.300 1 761 74 74 VAL CB C 31.968 0.300 1 762 74 74 VAL CG1 C 21.171 0.300 2 763 74 74 VAL CG2 C 21.937 0.300 2 764 74 74 VAL N N 124.286 0.300 1 765 75 75 GLY H H 8.524 0.030 1 766 75 75 GLY HA2 H 4.026 0.030 2 767 75 75 GLY HA3 H 3.805 0.030 2 768 75 75 GLY C C 174.252 0.300 1 769 75 75 GLY CA C 46.777 0.300 1 770 75 75 GLY N N 117.433 0.300 1 771 76 76 VAL H H 7.317 0.030 1 772 76 76 VAL HA H 4.729 0.030 1 773 76 76 VAL HB H 2.246 0.030 1 774 76 76 VAL HG1 H 0.603 0.030 1 775 76 76 VAL HG2 H 0.888 0.030 1 776 76 76 VAL C C 174.819 0.300 1 777 76 76 VAL CA C 58.319 0.300 1 778 76 76 VAL CB C 34.311 0.300 1 779 76 76 VAL CG1 C 21.205 0.300 2 780 76 76 VAL CG2 C 17.817 0.300 2 781 76 76 VAL N N 111.172 0.300 1 782 77 77 THR H H 8.026 0.030 1 783 77 77 THR HA H 4.437 0.030 1 784 77 77 THR HB H 4.794 0.030 1 785 77 77 THR HG2 H 1.370 0.030 1 786 77 77 THR C C 175.736 0.300 1 787 77 77 THR CA C 60.464 0.300 1 788 77 77 THR CB C 71.267 0.300 1 789 77 77 THR CG2 C 22.122 0.300 1 790 77 77 THR N N 108.244 0.300 1 791 78 78 GLN H H 9.145 0.030 1 792 78 78 GLN HA H 3.855 0.030 1 793 78 78 GLN HB2 H 2.119 0.030 1 794 78 78 GLN HB3 H 2.119 0.030 1 795 78 78 GLN HE21 H 7.621 0.030 2 796 78 78 GLN HE22 H 6.873 0.030 2 797 78 78 GLN HG2 H 2.451 0.030 2 798 78 78 GLN HG3 H 2.189 0.030 2 799 78 78 GLN C C 177.863 0.300 1 800 78 78 GLN CA C 60.071 0.300 1 801 78 78 GLN CB C 28.538 0.300 1 802 78 78 GLN CG C 34.222 0.300 1 803 78 78 GLN N N 121.157 0.300 1 804 78 78 GLN NE2 N 111.699 0.300 1 805 79 79 ASN H H 8.624 0.030 1 806 79 79 ASN HA H 4.460 0.030 1 807 79 79 ASN HB2 H 2.831 0.030 2 808 79 79 ASN HB3 H 2.778 0.030 2 809 79 79 ASN HD21 H 7.718 0.030 2 810 79 79 ASN HD22 H 7.030 0.030 2 811 79 79 ASN C C 177.781 0.300 1 812 79 79 ASN CA C 56.493 0.300 1 813 79 79 ASN CB C 38.439 0.300 1 814 79 79 ASN N N 116.025 0.300 1 815 79 79 ASN ND2 N 113.274 0.300 1 816 80 80 PHE H H 8.155 0.030 1 817 80 80 PHE HA H 4.172 0.030 1 818 80 80 PHE HB2 H 3.230 0.030 2 819 80 80 PHE HB3 H 3.174 0.030 2 820 80 80 PHE HD1 H 7.081 0.030 1 821 80 80 PHE HD2 H 7.081 0.030 1 822 80 80 PHE HE1 H 7.271 0.030 1 823 80 80 PHE HE2 H 7.271 0.030 1 824 80 80 PHE HZ H 7.234 0.030 1 825 80 80 PHE C C 177.448 0.300 1 826 80 80 PHE CA C 61.799 0.300 1 827 80 80 PHE CB C 39.465 0.300 1 828 80 80 PHE CD1 C 131.569 0.300 1 829 80 80 PHE CD2 C 131.569 0.300 1 830 80 80 PHE CE1 C 131.544 0.300 1 831 80 80 PHE CE2 C 131.544 0.300 1 832 80 80 PHE CZ C 130.104 0.300 1 833 80 80 PHE N N 123.018 0.300 1 834 81 81 ALA H H 8.158 0.030 1 835 81 81 ALA HA H 3.762 0.030 1 836 81 81 ALA HB H 1.472 0.030 1 837 81 81 ALA C C 178.299 0.300 1 838 81 81 ALA CA C 55.062 0.300 1 839 81 81 ALA CB C 19.959 0.300 1 840 81 81 ALA N N 120.625 0.300 1 841 82 82 ALA H H 8.777 0.030 1 842 82 82 ALA HA H 3.975 0.030 1 843 82 82 ALA HB H 1.548 0.030 1 844 82 82 ALA C C 180.901 0.300 1 845 82 82 ALA CA C 55.161 0.300 1 846 82 82 ALA CB C 18.193 0.300 1 847 82 82 ALA N N 118.560 0.300 1 848 83 83 THR H H 7.813 0.030 1 849 83 83 THR HA H 3.743 0.030 1 850 83 83 THR HB H 4.247 0.030 1 851 83 83 THR HG2 H 1.104 0.030 1 852 83 83 THR C C 175.551 0.300 1 853 83 83 THR CA C 66.872 0.300 1 854 83 83 THR CB C 68.554 0.300 1 855 83 83 THR CG2 C 21.536 0.300 1 856 83 83 THR N N 117.232 0.300 1 857 84 84 VAL H H 7.803 0.030 1 858 84 84 VAL HA H 3.380 0.030 1 859 84 84 VAL HB H 1.936 0.030 1 860 84 84 VAL HG1 H 0.709 0.030 1 861 84 84 VAL HG2 H 0.428 0.030 1 862 84 84 VAL C C 179.684 0.300 1 863 84 84 VAL CA C 66.448 0.300 1 864 84 84 VAL CB C 31.360 0.300 1 865 84 84 VAL CG1 C 21.332 0.300 2 866 84 84 VAL CG2 C 23.146 0.300 2 867 84 84 VAL N N 122.174 0.300 1 868 85 85 LEU H H 8.254 0.030 1 869 85 85 LEU HA H 3.911 0.030 1 870 85 85 LEU HB2 H 1.866 0.030 2 871 85 85 LEU HB3 H 1.467 0.030 2 872 85 85 LEU HD1 H 0.825 0.030 1 873 85 85 LEU HD2 H 0.850 0.030 1 874 85 85 LEU HG H 1.765 0.030 1 875 85 85 LEU C C 180.310 0.300 1 876 85 85 LEU CA C 58.256 0.300 1 877 85 85 LEU CB C 40.974 0.300 1 878 85 85 LEU CD1 C 25.714 0.300 2 879 85 85 LEU CD2 C 23.785 0.300 2 880 85 85 LEU CG C 27.870 0.300 1 881 85 85 LEU N N 117.357 0.300 1 882 86 86 ARG H H 8.153 0.030 1 883 86 86 ARG HA H 4.138 0.030 1 884 86 86 ARG HB2 H 1.998 0.030 2 885 86 86 ARG HB3 H 1.935 0.030 2 886 86 86 ARG HD2 H 3.234 0.030 1 887 86 86 ARG HD3 H 3.234 0.030 1 888 86 86 ARG HG2 H 1.759 0.030 2 889 86 86 ARG HG3 H 1.710 0.030 2 890 86 86 ARG C C 177.033 0.300 1 891 86 86 ARG CA C 58.953 0.300 1 892 86 86 ARG CB C 30.240 0.300 1 893 86 86 ARG CD C 43.653 0.300 1 894 86 86 ARG CG C 27.719 0.300 1 895 86 86 ARG N N 121.646 0.300 1 896 87 87 ASN H H 7.491 0.030 1 897 87 87 ASN HA H 4.762 0.030 1 898 87 87 ASN HB2 H 2.986 0.030 2 899 87 87 ASN HB3 H 2.718 0.030 2 900 87 87 ASN HD21 H 7.569 0.030 2 901 87 87 ASN HD22 H 6.867 0.030 2 902 87 87 ASN C C 175.502 0.300 1 903 87 87 ASN CA C 53.367 0.300 1 904 87 87 ASN CB C 39.061 0.300 1 905 87 87 ASN N N 116.235 0.300 1 906 87 87 ASN ND2 N 112.625 0.300 1 907 88 88 THR H H 7.053 0.030 1 908 88 88 THR HA H 4.120 0.030 1 909 88 88 THR HB H 4.382 0.030 1 910 88 88 THR HG2 H 1.372 0.030 1 911 88 88 THR C C 174.923 0.300 1 912 88 88 THR CA C 61.787 0.300 1 913 88 88 THR CB C 71.387 0.300 1 914 88 88 THR CG2 C 22.735 0.300 1 915 88 88 THR N N 110.937 0.300 1 916 89 89 LYS H H 8.850 0.030 1 917 89 89 LYS HA H 4.495 0.030 1 918 89 89 LYS HB2 H 1.965 0.030 2 919 89 89 LYS HB3 H 1.783 0.030 2 920 89 89 LYS HD2 H 1.682 0.030 1 921 89 89 LYS HD3 H 1.682 0.030 1 922 89 89 LYS HE2 H 3.020 0.030 1 923 89 89 LYS HE3 H 3.020 0.030 1 924 89 89 LYS HG2 H 1.500 0.030 2 925 89 89 LYS HG3 H 1.427 0.030 2 926 89 89 LYS C C 175.282 0.300 1 927 89 89 LYS CA C 55.367 0.300 1 928 89 89 LYS CB C 33.468 0.300 1 929 89 89 LYS CD C 28.923 0.300 1 930 89 89 LYS CE C 42.287 0.300 1 931 89 89 LYS CG C 24.694 0.300 1 932 89 89 LYS N N 121.403 0.300 1 933 90 90 GLY H H 8.382 0.030 1 934 90 90 GLY HA2 H 3.818 0.030 2 935 90 90 GLY HA3 H 3.709 0.030 2 936 90 90 GLY C C 172.879 0.300 1 937 90 90 GLY CA C 47.305 0.300 1 938 90 90 GLY N N 107.847 0.300 1 939 91 91 ASN H H 7.755 0.030 1 940 91 91 ASN HA H 5.159 0.030 1 941 91 91 ASN HB2 H 2.610 0.030 1 942 91 91 ASN HB3 H 2.610 0.030 1 943 91 91 ASN HD21 H 7.545 0.030 2 944 91 91 ASN HD22 H 6.923 0.030 2 945 91 91 ASN C C 174.355 0.300 1 946 91 91 ASN CA C 53.042 0.300 1 947 91 91 ASN CB C 40.041 0.300 1 948 91 91 ASN N N 120.013 0.300 1 949 91 91 ASN ND2 N 112.282 0.300 1 950 92 92 VAL H H 9.171 0.030 1 951 92 92 VAL HA H 4.273 0.030 1 952 92 92 VAL HB H 1.727 0.030 1 953 92 92 VAL HG1 H 0.288 0.030 1 954 92 92 VAL HG2 H 0.861 0.030 1 955 92 92 VAL C C 174.028 0.300 1 956 92 92 VAL CA C 61.669 0.300 1 957 92 92 VAL CB C 34.263 0.300 1 958 92 92 VAL CG1 C 22.982 0.300 2 959 92 92 VAL CG2 C 22.378 0.300 2 960 92 92 VAL N N 127.038 0.300 1 961 93 93 ARG H H 8.735 0.030 1 962 93 93 ARG HA H 4.850 0.030 1 963 93 93 ARG HB2 H 1.887 0.030 2 964 93 93 ARG HB3 H 1.738 0.030 2 965 93 93 ARG HD2 H 3.161 0.030 1 966 93 93 ARG HD3 H 3.161 0.030 1 967 93 93 ARG HE H 7.272 0.030 1 968 93 93 ARG HG2 H 1.588 0.030 2 969 93 93 ARG HG3 H 1.480 0.030 2 970 93 93 ARG C C 175.349 0.300 1 971 93 93 ARG CA C 55.194 0.300 1 972 93 93 ARG CB C 31.288 0.300 1 973 93 93 ARG CD C 43.493 0.300 1 974 93 93 ARG CG C 28.208 0.300 1 975 93 93 ARG N N 126.338 0.300 1 976 93 93 ARG NE N 85.299 0.300 1 977 94 94 PHE H H 9.477 0.030 1 978 94 94 PHE HA H 5.441 0.030 1 979 94 94 PHE HB2 H 3.023 0.030 2 980 94 94 PHE HB3 H 2.852 0.030 2 981 94 94 PHE HD1 H 7.148 0.030 1 982 94 94 PHE HD2 H 7.148 0.030 1 983 94 94 PHE HE1 H 6.925 0.030 1 984 94 94 PHE HE2 H 6.925 0.030 1 985 94 94 PHE HZ H 6.999 0.030 1 986 94 94 PHE C C 178.144 0.300 1 987 94 94 PHE CA C 56.673 0.300 1 988 94 94 PHE CB C 43.184 0.300 1 989 94 94 PHE CD1 C 131.864 0.300 1 990 94 94 PHE CD2 C 131.864 0.300 1 991 94 94 PHE CE1 C 129.981 0.300 1 992 94 94 PHE CE2 C 129.981 0.300 1 993 94 94 PHE CZ C 128.421 0.300 1 994 94 94 PHE N N 122.234 0.300 1 995 95 95 VAL H H 8.454 0.030 1 996 95 95 VAL HA H 4.190 0.030 1 997 95 95 VAL HB H 1.687 0.030 1 998 95 95 VAL HG1 H 0.708 0.030 1 999 95 95 VAL HG2 H 0.783 0.030 1 1000 95 95 VAL C C 174.108 0.300 1 1001 95 95 VAL CA C 64.526 0.300 1 1002 95 95 VAL CB C 33.212 0.300 1 1003 95 95 VAL CG1 C 21.668 0.300 2 1004 95 95 VAL CG2 C 21.048 0.300 2 1005 95 95 VAL N N 120.978 0.300 1 1006 96 96 ILE H H 8.807 0.030 1 1007 96 96 ILE HA H 4.774 0.030 1 1008 96 96 ILE HB H 0.909 0.030 1 1009 96 96 ILE HD1 H 0.443 0.030 1 1010 96 96 ILE HG12 H 1.259 0.030 2 1011 96 96 ILE HG13 H 0.928 0.030 2 1012 96 96 ILE HG2 H 0.704 0.030 1 1013 96 96 ILE C C 173.702 0.300 1 1014 96 96 ILE CA C 55.909 0.300 1 1015 96 96 ILE CB C 36.979 0.300 1 1016 96 96 ILE CD1 C 10.363 0.300 1 1017 96 96 ILE CG1 C 27.171 0.300 1 1018 96 96 ILE CG2 C 19.276 0.300 1 1019 96 96 ILE N N 130.493 0.300 1 1020 97 97 GLY H H 9.311 0.030 1 1021 97 97 GLY HA2 H 5.499 0.030 2 1022 97 97 GLY HA3 H 2.994 0.030 2 1023 97 97 GLY C C 171.756 0.300 1 1024 97 97 GLY CA C 44.452 0.300 1 1025 97 97 GLY N N 110.029 0.300 1 1026 98 98 ARG H H 9.049 0.030 1 1027 98 98 ARG HA H 4.913 0.030 1 1028 98 98 ARG HB2 H 1.964 0.030 2 1029 98 98 ARG HB3 H 1.892 0.030 2 1030 98 98 ARG HD2 H 3.275 0.030 2 1031 98 98 ARG HD3 H 3.087 0.030 2 1032 98 98 ARG HE H 9.448 0.030 1 1033 98 98 ARG HG2 H 1.847 0.030 2 1034 98 98 ARG HG3 H 1.727 0.030 2 1035 98 98 ARG C C 175.296 0.300 1 1036 98 98 ARG CA C 54.956 0.300 1 1037 98 98 ARG CB C 34.997 0.300 1 1038 98 98 ARG CD C 43.480 0.300 1 1039 98 98 ARG CG C 26.579 0.300 1 1040 98 98 ARG N N 125.626 0.300 1 1041 98 98 ARG NE N 85.239 0.300 1 1042 99 99 GLU H H 8.818 0.030 1 1043 99 99 GLU HA H 4.408 0.030 1 1044 99 99 GLU HB2 H 1.997 0.030 1 1045 99 99 GLU HB3 H 1.997 0.030 1 1046 99 99 GLU HG2 H 2.360 0.030 2 1047 99 99 GLU HG3 H 2.257 0.030 2 1048 99 99 GLU C C 176.397 0.300 1 1049 99 99 GLU CA C 57.097 0.300 1 1050 99 99 GLU CB C 30.383 0.300 1 1051 99 99 GLU CG C 36.258 0.300 1 1052 99 99 GLU N N 127.463 0.300 1 1053 100 100 LYS H H 8.611 0.030 1 1054 100 100 LYS HA H 4.621 0.030 1 1055 100 100 LYS HB2 H 1.842 0.030 2 1056 100 100 LYS HB3 H 1.701 0.030 2 1057 100 100 LYS HD2 H 1.683 0.030 1 1058 100 100 LYS HD3 H 1.683 0.030 1 1059 100 100 LYS HE2 H 2.958 0.030 1 1060 100 100 LYS HE3 H 2.958 0.030 1 1061 100 100 LYS HG2 H 1.502 0.030 1 1062 100 100 LYS HG3 H 1.502 0.030 1 1063 100 100 LYS C C 174.522 0.300 1 1064 100 100 LYS CA C 54.355 0.300 1 1065 100 100 LYS CB C 32.807 0.300 1 1066 100 100 LYS CD C 29.452 0.300 1 1067 100 100 LYS CE C 42.119 0.300 1 1068 100 100 LYS CG C 24.962 0.300 1 1069 100 100 LYS N N 126.082 0.300 1 1070 101 101 PRO HA H 4.513 0.030 1 1071 101 101 PRO HB2 H 2.345 0.030 2 1072 101 101 PRO HB3 H 1.957 0.030 2 1073 101 101 PRO HD2 H 3.678 0.030 2 1074 101 101 PRO HD3 H 3.916 0.030 2 1075 101 101 PRO HG2 H 2.047 0.030 1 1076 101 101 PRO HG3 H 2.047 0.030 1 1077 101 101 PRO CA C 63.183 0.300 1 1078 101 101 PRO CB C 32.296 0.300 1 1079 101 101 PRO CD C 50.839 0.300 1 1080 101 101 PRO CG C 27.474 0.300 1 1081 102 102 SER H H 8.512 0.030 1 1082 102 102 SER HA H 4.479 0.030 1 1083 102 102 SER HB2 H 3.887 0.030 1 1084 102 102 SER HB3 H 3.887 0.030 1 1085 102 102 SER C C 175.048 0.300 1 1086 102 102 SER CA C 58.360 0.300 1 1087 102 102 SER CB C 64.014 0.300 1 1088 102 102 SER N N 116.757 0.300 1 1089 103 103 GLY H H 8.238 0.030 1 1090 103 103 GLY HA2 H 4.186 0.030 2 1091 103 103 GLY HA3 H 4.098 0.030 2 1092 103 103 GLY C C 174.294 0.300 1 1093 103 103 GLY CA C 44.744 0.300 1 1094 103 103 GLY N N 110.628 0.300 1 1095 104 104 PRO HA H 4.494 0.030 1 1096 104 104 PRO HB2 H 2.303 0.030 2 1097 104 104 PRO HB3 H 1.984 0.030 2 1098 104 104 PRO HD2 H 3.635 0.030 1 1099 104 104 PRO HD3 H 3.635 0.030 1 1100 104 104 PRO HG2 H 2.025 0.030 1 1101 104 104 PRO HG3 H 2.025 0.030 1 1102 104 104 PRO CA C 63.257 0.300 1 1103 104 104 PRO CB C 32.274 0.300 1 1104 104 104 PRO CD C 49.839 0.300 1 1105 104 104 PRO CG C 27.243 0.300 1 1106 105 105 SER H H 8.532 0.030 1 1107 105 105 SER N N 116.440 0.300 1 1108 106 106 SER H H 8.337 0.030 1 1109 106 106 SER HA H 4.509 0.030 1 1110 106 106 SER HB2 H 3.908 0.030 1 1111 106 106 SER HB3 H 3.908 0.030 1 1112 106 106 SER C C 173.931 0.300 1 1113 106 106 SER CA C 58.394 0.300 1 1114 106 106 SER CB C 63.986 0.300 1 1115 106 106 SER N N 117.886 0.300 1 1116 107 107 GLY H H 8.051 0.030 1 1117 107 107 GLY HA2 H 3.804 0.030 2 1118 107 107 GLY HA3 H 3.762 0.030 2 1119 107 107 GLY C C 178.999 0.300 1 1120 107 107 GLY CA C 46.245 0.300 1 1121 107 107 GLY N N 116.887 0.300 1 stop_ save_