data_11148 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the TIG domain from Human Nuclear factor of activated T-cells, cytoplasmic 4 ; _BMRB_accession_number 11148 _BMRB_flat_file_name bmr11148.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 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" 681 "13C chemical shifts" 509 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the TIG domain from Human Nuclear factor of activated T-cells, cytoplasmic 4 ; _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 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 'Nuclear factor of activated T-cells, cytoplasmic 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TIG 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 'TIG domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSSGSSGLPQVEAYSPSACS VRGGEELVLTGSNFLPDSKV VFIERGPDGKLQWEEEATVN RLQSNEVTLTLTVPEYSNKR VSRPVQVYFYVSNGRRKRSP TQSFRFLPVICKEE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 PRO 10 GLN 11 VAL 12 GLU 13 ALA 14 TYR 15 SER 16 PRO 17 SER 18 ALA 19 CYS 20 SER 21 VAL 22 ARG 23 GLY 24 GLY 25 GLU 26 GLU 27 LEU 28 VAL 29 LEU 30 THR 31 GLY 32 SER 33 ASN 34 PHE 35 LEU 36 PRO 37 ASP 38 SER 39 LYS 40 VAL 41 VAL 42 PHE 43 ILE 44 GLU 45 ARG 46 GLY 47 PRO 48 ASP 49 GLY 50 LYS 51 LEU 52 GLN 53 TRP 54 GLU 55 GLU 56 GLU 57 ALA 58 THR 59 VAL 60 ASN 61 ARG 62 LEU 63 GLN 64 SER 65 ASN 66 GLU 67 VAL 68 THR 69 LEU 70 THR 71 LEU 72 THR 73 VAL 74 PRO 75 GLU 76 TYR 77 SER 78 ASN 79 LYS 80 ARG 81 VAL 82 SER 83 ARG 84 PRO 85 VAL 86 GLN 87 VAL 88 TYR 89 PHE 90 TYR 91 VAL 92 SER 93 ASN 94 GLY 95 ARG 96 ARG 97 LYS 98 ARG 99 SER 100 PRO 101 THR 102 GLN 103 SER 104 PHE 105 ARG 106 PHE 107 LEU 108 PRO 109 VAL 110 ILE 111 CYS 112 LYS 113 GLU 114 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-06 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 2YRP "Solution Structure Of The Tig Domain From Human Nuclear Factor Of Activated T-Cells, Cytoplasmic 4" 100.00 114 100.00 100.00 4.39e-75 DBJ BAG56726 "unnamed protein product [Homo sapiens]" 93.86 794 100.00 100.00 7.19e-65 DBJ BAG63617 "unnamed protein product [Homo sapiens]" 93.86 832 99.07 99.07 6.16e-64 DBJ BAI46039 "nuclear factor of activated T-cells, cytoplasmic, calcineurin-dependent 4 [synthetic construct]" 93.86 902 100.00 100.00 9.66e-65 GB AAA79175 "NF-AT3 [Homo sapiens]" 93.86 902 100.00 100.00 9.11e-65 GB AAH08857 "NFATC4 protein, partial [Homo sapiens]" 93.86 842 100.00 100.00 6.67e-65 GB AAH53855 "Nuclear factor of activated T-cells, cytoplasmic, calcineurin-dependent 4 [Homo sapiens]" 93.86 902 100.00 100.00 9.66e-65 GB ABZ92167 "nuclear factor of activated T-cells, cytoplasmic, calcineurin-dependent 4 [synthetic construct]" 93.86 902 100.00 100.00 1.12e-64 GB ACG55652 "nuclear factor of activated T-cells c4 isoform IA-IXL [Homo sapiens]" 93.86 965 100.00 100.00 8.14e-65 REF NP_001129494 "nuclear factor of activated T-cells, cytoplasmic 4 isoform 1 [Homo sapiens]" 93.86 964 100.00 100.00 1.29e-64 REF NP_001185894 "nuclear factor of activated T-cells, cytoplasmic 4 isoform 3 [Homo sapiens]" 93.86 794 100.00 100.00 7.19e-65 REF NP_001185895 "nuclear factor of activated T-cells, cytoplasmic 4 isoform 4 [Homo sapiens]" 93.86 832 100.00 100.00 7.33e-65 REF NP_001185896 "nuclear factor of activated T-cells, cytoplasmic 4 isoform 5 [Homo sapiens]" 93.86 857 100.00 100.00 6.12e-65 REF NP_001275731 "nuclear factor of activated T-cells, cytoplasmic 4 isoform 6 [Homo sapiens]" 93.86 889 100.00 100.00 1.54e-64 SP Q14934 "RecName: Full=Nuclear factor of activated T-cells, cytoplasmic 4; Short=NF-ATc4; Short=NFATc4; AltName: Full=T-cell transcripti" 93.86 902 100.00 100.00 9.66e-65 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' . Escherichia coli . P061030-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.94mM TIG domain {U-15N,13C;} 20mM d-Tris-HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.94 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_topspin _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060524 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 0.9823 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _Field_strength 900 _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 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 $topspin $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 'TIG 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 3.827 0.030 1 2 1 1 GLY HA3 H 3.827 0.030 1 3 1 1 GLY C C 168.035 0.300 1 4 1 1 GLY CA C 41.055 0.300 1 5 2 2 SER H H 8.648 0.030 1 6 2 2 SER HA H 4.431 0.030 1 7 2 2 SER HB2 H 3.769 0.030 1 8 2 2 SER HB3 H 3.769 0.030 1 9 2 2 SER C C 172.559 0.300 1 10 2 2 SER CA C 55.939 0.300 1 11 2 2 SER CB C 61.410 0.300 1 12 2 2 SER N N 115.456 0.300 1 13 3 3 SER H H 8.296 0.030 1 14 3 3 SER HA H 4.428 0.030 1 15 3 3 SER HB2 H 3.827 0.030 1 16 3 3 SER HB3 H 3.827 0.030 1 17 3 3 SER C C 172.848 0.300 1 18 3 3 SER CA C 56.097 0.300 1 19 3 3 SER CB C 61.524 0.300 1 20 3 3 SER N N 117.472 0.300 1 21 4 4 GLY H H 8.412 0.030 1 22 4 4 GLY HA2 H 3.931 0.030 1 23 4 4 GLY HA3 H 3.931 0.030 1 24 4 4 GLY C C 172.090 0.300 1 25 4 4 GLY CA C 43.149 0.300 1 26 4 4 GLY N N 110.612 0.300 1 27 5 5 SER H H 8.189 0.030 1 28 5 5 SER HA H 4.487 0.030 1 29 5 5 SER HB2 H 3.767 0.030 2 30 5 5 SER HB3 H 3.834 0.030 2 31 5 5 SER C C 172.482 0.300 1 32 5 5 SER CA C 55.945 0.300 1 33 5 5 SER CB C 61.575 0.300 1 34 5 5 SER N N 115.294 0.300 1 35 6 6 SER H H 8.518 0.030 1 36 6 6 SER HA H 4.337 0.030 1 37 6 6 SER HB2 H 3.823 0.030 1 38 6 6 SER HB3 H 3.823 0.030 1 39 6 6 SER C C 172.751 0.300 1 40 6 6 SER CA C 56.415 0.300 1 41 6 6 SER CB C 61.536 0.300 1 42 6 6 SER N N 117.871 0.300 1 43 7 7 GLY H H 8.290 0.030 1 44 7 7 GLY HA2 H 3.759 0.030 2 45 7 7 GLY HA3 H 3.843 0.030 2 46 7 7 GLY C C 171.147 0.300 1 47 7 7 GLY CA C 42.921 0.300 1 48 7 7 GLY N N 109.535 0.300 1 49 8 8 LEU H H 7.941 0.030 1 50 8 8 LEU HA H 4.361 0.030 1 51 8 8 LEU HB2 H 1.494 0.030 2 52 8 8 LEU HB3 H 1.297 0.030 2 53 8 8 LEU HD1 H 0.903 0.030 1 54 8 8 LEU HD2 H 0.881 0.030 1 55 8 8 LEU HG H 1.557 0.030 1 56 8 8 LEU C C 172.397 0.300 1 57 8 8 LEU CA C 50.298 0.300 1 58 8 8 LEU CB C 38.658 0.300 1 59 8 8 LEU CD1 C 22.717 0.300 2 60 8 8 LEU CD2 C 21.449 0.300 2 61 8 8 LEU CG C 25.120 0.300 1 62 8 8 LEU N N 120.906 0.300 1 63 9 9 PRO HA H 4.700 0.030 1 64 9 9 PRO HB2 H 2.292 0.030 2 65 9 9 PRO HB3 H 1.711 0.030 2 66 9 9 PRO HD2 H 3.231 0.030 2 67 9 9 PRO HD3 H 3.658 0.030 2 68 9 9 PRO HG2 H 1.870 0.030 2 69 9 9 PRO HG3 H 2.124 0.030 2 70 9 9 PRO C C 173.078 0.300 1 71 9 9 PRO CA C 60.492 0.300 1 72 9 9 PRO CB C 29.239 0.300 1 73 9 9 PRO CD C 47.603 0.300 1 74 9 9 PRO CG C 24.781 0.300 1 75 10 10 GLN H H 8.112 0.030 1 76 10 10 GLN HA H 4.557 0.030 1 77 10 10 GLN HB2 H 1.694 0.030 2 78 10 10 GLN HB3 H 1.915 0.030 2 79 10 10 GLN HE21 H 7.096 0.030 2 80 10 10 GLN HE22 H 6.736 0.030 2 81 10 10 GLN HG2 H 2.166 0.030 1 82 10 10 GLN HG3 H 2.166 0.030 1 83 10 10 GLN C C 171.950 0.300 1 84 10 10 GLN CA C 51.580 0.300 1 85 10 10 GLN CB C 29.432 0.300 1 86 10 10 GLN CG C 30.805 0.300 1 87 10 10 GLN N N 118.921 0.300 1 88 10 10 GLN NE2 N 111.569 0.300 1 89 11 11 VAL H H 8.941 0.030 1 90 11 11 VAL HA H 4.323 0.030 1 91 11 11 VAL HB H 2.018 0.030 1 92 11 11 VAL HG1 H 1.027 0.030 1 93 11 11 VAL HG2 H 0.958 0.030 1 94 11 11 VAL C C 172.843 0.300 1 95 11 11 VAL CA C 60.065 0.300 1 96 11 11 VAL CB C 31.193 0.300 1 97 11 11 VAL CG1 C 20.620 0.300 2 98 11 11 VAL CG2 C 19.441 0.300 2 99 11 11 VAL N N 121.173 0.300 1 100 12 12 GLU H H 9.762 0.030 1 101 12 12 GLU HA H 4.407 0.030 1 102 12 12 GLU HB2 H 1.861 0.030 2 103 12 12 GLU HB3 H 1.992 0.030 2 104 12 12 GLU HG2 H 2.223 0.030 1 105 12 12 GLU HG3 H 2.223 0.030 1 106 12 12 GLU C C 173.730 0.300 1 107 12 12 GLU CA C 54.614 0.300 1 108 12 12 GLU CB C 28.492 0.300 1 109 12 12 GLU CG C 32.572 0.300 1 110 12 12 GLU N N 128.030 0.300 1 111 13 13 ALA H H 8.285 0.030 1 112 13 13 ALA HA H 4.613 0.030 1 113 13 13 ALA HB H 1.353 0.030 1 114 13 13 ALA C C 172.364 0.300 1 115 13 13 ALA CA C 49.492 0.300 1 116 13 13 ALA CB C 19.934 0.300 1 117 13 13 ALA N N 119.619 0.300 1 118 14 14 TYR H H 7.986 0.030 1 119 14 14 TYR HA H 5.558 0.030 1 120 14 14 TYR HB2 H 3.389 0.030 2 121 14 14 TYR HB3 H 2.768 0.030 2 122 14 14 TYR HD1 H 6.948 0.030 1 123 14 14 TYR HD2 H 6.948 0.030 1 124 14 14 TYR HE1 H 7.104 0.030 1 125 14 14 TYR HE2 H 7.104 0.030 1 126 14 14 TYR C C 171.322 0.300 1 127 14 14 TYR CA C 54.196 0.300 1 128 14 14 TYR CB C 38.488 0.300 1 129 14 14 TYR CD1 C 131.668 0.300 1 130 14 14 TYR CD2 C 131.668 0.300 1 131 14 14 TYR CE1 C 117.528 0.300 1 132 14 14 TYR CE2 C 117.528 0.300 1 133 14 14 TYR N N 112.746 0.300 1 134 15 15 SER H H 7.990 0.030 1 135 15 15 SER HA H 4.568 0.030 1 136 15 15 SER HB2 H 3.675 0.030 2 137 15 15 SER HB3 H 3.719 0.030 2 138 15 15 SER C C 170.498 0.300 1 139 15 15 SER CA C 53.478 0.300 1 140 15 15 SER CB C 63.021 0.300 1 141 15 15 SER N N 112.616 0.300 1 142 16 16 PRO HA H 5.055 0.030 1 143 16 16 PRO HB2 H 2.508 0.030 2 144 16 16 PRO HB3 H 2.582 0.030 2 145 16 16 PRO HD2 H 3.877 0.030 2 146 16 16 PRO HD3 H 3.819 0.030 2 147 16 16 PRO HG2 H 1.741 0.030 2 148 16 16 PRO HG3 H 2.161 0.030 2 149 16 16 PRO C C 171.371 0.300 1 150 16 16 PRO CA C 61.397 0.300 1 151 16 16 PRO CB C 32.965 0.300 1 152 16 16 PRO CD C 48.215 0.300 1 153 16 16 PRO CG C 22.256 0.300 1 154 17 17 SER H H 8.432 0.030 1 155 17 17 SER HA H 4.725 0.030 1 156 17 17 SER HB2 H 3.735 0.030 2 157 17 17 SER HB3 H 4.075 0.030 2 158 17 17 SER C C 170.629 0.300 1 159 17 17 SER CA C 55.405 0.300 1 160 17 17 SER CB C 61.655 0.300 1 161 17 17 SER N N 107.280 0.300 1 162 18 18 ALA H H 7.190 0.030 1 163 18 18 ALA HA H 4.137 0.030 1 164 18 18 ALA HB H 0.972 0.030 1 165 18 18 ALA C C 174.223 0.300 1 166 18 18 ALA CA C 48.424 0.300 1 167 18 18 ALA CB C 20.630 0.300 1 168 18 18 ALA N N 122.086 0.300 1 169 19 19 CYS H H 8.036 0.030 1 170 19 19 CYS HA H 4.651 0.030 1 171 19 19 CYS HB2 H 2.830 0.030 2 172 19 19 CYS HB3 H 3.203 0.030 2 173 19 19 CYS C C 169.931 0.300 1 174 19 19 CYS CA C 54.943 0.300 1 175 19 19 CYS CB C 28.084 0.300 1 176 19 19 CYS N N 113.541 0.300 1 177 20 20 SER H H 8.986 0.030 1 178 20 20 SER HA H 4.880 0.030 1 179 20 20 SER HB2 H 3.961 0.030 2 180 20 20 SER HB3 H 4.037 0.030 2 181 20 20 SER C C 174.403 0.300 1 182 20 20 SER CA C 57.195 0.300 1 183 20 20 SER CB C 62.236 0.300 1 184 20 20 SER N N 118.664 0.300 1 185 21 21 VAL H H 8.484 0.030 1 186 21 21 VAL HA H 3.756 0.030 1 187 21 21 VAL HB H 2.085 0.030 1 188 21 21 VAL HG1 H 0.819 0.030 1 189 21 21 VAL HG2 H 1.020 0.030 1 190 21 21 VAL C C 172.858 0.300 1 191 21 21 VAL CA C 61.879 0.300 1 192 21 21 VAL CB C 30.551 0.300 1 193 21 21 VAL CG1 C 20.711 0.300 2 194 21 21 VAL CG2 C 16.959 0.300 2 195 21 21 VAL N N 116.056 0.300 1 196 22 22 ARG H H 7.804 0.030 1 197 22 22 ARG HA H 3.912 0.030 1 198 22 22 ARG HB2 H 1.602 0.030 2 199 22 22 ARG HB3 H 1.814 0.030 2 200 22 22 ARG HD2 H 3.152 0.030 1 201 22 22 ARG HD3 H 3.152 0.030 1 202 22 22 ARG HG2 H 1.576 0.030 2 203 22 22 ARG HG3 H 1.475 0.030 2 204 22 22 ARG C C 174.723 0.300 1 205 22 22 ARG CA C 55.667 0.300 1 206 22 22 ARG CB C 27.740 0.300 1 207 22 22 ARG CD C 40.788 0.300 1 208 22 22 ARG CG C 26.077 0.300 1 209 22 22 ARG N N 117.037 0.300 1 210 23 23 GLY H H 8.402 0.030 1 211 23 23 GLY HA2 H 3.530 0.030 2 212 23 23 GLY HA3 H 3.691 0.030 2 213 23 23 GLY C C 172.233 0.300 1 214 23 23 GLY CA C 42.551 0.300 1 215 23 23 GLY N N 104.120 0.300 1 216 24 24 GLY H H 8.768 0.030 1 217 24 24 GLY HA2 H 3.422 0.030 2 218 24 24 GLY HA3 H 4.111 0.030 2 219 24 24 GLY C C 171.478 0.300 1 220 24 24 GLY CA C 43.925 0.300 1 221 24 24 GLY N N 107.422 0.300 1 222 25 25 GLU H H 6.374 0.030 1 223 25 25 GLU HA H 4.432 0.030 1 224 25 25 GLU HB2 H 1.724 0.030 2 225 25 25 GLU HB3 H 2.078 0.030 2 226 25 25 GLU HG2 H 2.306 0.030 2 227 25 25 GLU HG3 H 2.350 0.030 2 228 25 25 GLU C C 172.022 0.300 1 229 25 25 GLU CA C 52.478 0.300 1 230 25 25 GLU CB C 29.073 0.300 1 231 25 25 GLU CG C 33.289 0.300 1 232 25 25 GLU N N 117.047 0.300 1 233 26 26 GLU H H 8.579 0.030 1 234 26 26 GLU HA H 4.737 0.030 1 235 26 26 GLU HB2 H 1.898 0.030 1 236 26 26 GLU HB3 H 1.898 0.030 1 237 26 26 GLU HG2 H 2.061 0.030 2 238 26 26 GLU HG3 H 2.180 0.030 2 239 26 26 GLU C C 172.081 0.300 1 240 26 26 GLU CA C 53.840 0.300 1 241 26 26 GLU CB C 28.051 0.300 1 242 26 26 GLU CG C 33.409 0.300 1 243 26 26 GLU N N 122.343 0.300 1 244 27 27 LEU H H 8.871 0.030 1 245 27 27 LEU HA H 5.001 0.030 1 246 27 27 LEU HB2 H 1.004 0.030 2 247 27 27 LEU HB3 H 1.213 0.030 2 248 27 27 LEU HD1 H 0.882 0.030 1 249 27 27 LEU HD2 H 0.035 0.030 1 250 27 27 LEU HG H 1.135 0.030 1 251 27 27 LEU C C 171.503 0.300 1 252 27 27 LEU CA C 51.600 0.300 1 253 27 27 LEU CB C 43.595 0.300 1 254 27 27 LEU CD1 C 23.468 0.300 2 255 27 27 LEU CD2 C 24.027 0.300 2 256 27 27 LEU CG C 25.046 0.300 1 257 27 27 LEU N N 129.069 0.300 1 258 28 28 VAL H H 8.224 0.030 1 259 28 28 VAL HA H 4.923 0.030 1 260 28 28 VAL HB H 1.929 0.030 1 261 28 28 VAL HG1 H 0.803 0.030 1 262 28 28 VAL HG2 H 0.944 0.030 1 263 28 28 VAL C C 173.714 0.300 1 264 28 28 VAL CA C 58.851 0.300 1 265 28 28 VAL CB C 31.849 0.300 1 266 28 28 VAL CG1 C 18.944 0.300 2 267 28 28 VAL CG2 C 19.230 0.300 2 268 28 28 VAL N N 124.247 0.300 1 269 29 29 LEU H H 9.721 0.030 1 270 29 29 LEU HA H 5.115 0.030 1 271 29 29 LEU HB2 H 1.477 0.030 2 272 29 29 LEU HB3 H 1.817 0.030 2 273 29 29 LEU HD1 H 0.464 0.030 1 274 29 29 LEU HD2 H 0.520 0.030 1 275 29 29 LEU HG H 1.572 0.030 1 276 29 29 LEU C C 173.655 0.300 1 277 29 29 LEU CA C 50.797 0.300 1 278 29 29 LEU CB C 41.507 0.300 1 279 29 29 LEU CD1 C 23.824 0.300 2 280 29 29 LEU CD2 C 23.890 0.300 2 281 29 29 LEU CG C 24.846 0.300 1 282 29 29 LEU N N 128.396 0.300 1 283 30 30 THR H H 9.275 0.030 1 284 30 30 THR HA H 5.451 0.030 1 285 30 30 THR HB H 4.074 0.030 1 286 30 30 THR HG2 H 1.257 0.030 1 287 30 30 THR C C 172.859 0.300 1 288 30 30 THR CA C 58.352 0.300 1 289 30 30 THR CB C 68.692 0.300 1 290 30 30 THR CG2 C 19.418 0.300 1 291 30 30 THR N N 117.535 0.300 1 292 31 31 GLY H H 9.068 0.030 1 293 31 31 GLY HA2 H 3.683 0.030 2 294 31 31 GLY HA3 H 4.767 0.030 2 295 31 31 GLY C C 168.458 0.300 1 296 31 31 GLY CA C 44.471 0.300 1 297 31 31 GLY N N 115.606 0.300 1 298 32 32 SER H H 7.850 0.030 1 299 32 32 SER HA H 4.481 0.030 1 300 32 32 SER HB2 H 3.466 0.030 2 301 32 32 SER HB3 H 3.635 0.030 2 302 32 32 SER C C 169.421 0.300 1 303 32 32 SER CA C 54.720 0.300 1 304 32 32 SER CB C 62.793 0.300 1 305 32 32 SER N N 114.822 0.300 1 306 33 33 ASN H H 8.572 0.030 1 307 33 33 ASN HA H 4.176 0.030 1 308 33 33 ASN HB2 H 2.687 0.030 2 309 33 33 ASN HB3 H 2.861 0.030 2 310 33 33 ASN HD21 H 6.756 0.030 2 311 33 33 ASN HD22 H 7.057 0.030 2 312 33 33 ASN C C 171.755 0.300 1 313 33 33 ASN CA C 51.339 0.300 1 314 33 33 ASN CB C 33.614 0.300 1 315 33 33 ASN N N 111.738 0.300 1 316 33 33 ASN ND2 N 112.034 0.300 1 317 34 34 PHE H H 7.789 0.030 1 318 34 34 PHE HA H 4.970 0.030 1 319 34 34 PHE HB2 H 3.338 0.030 2 320 34 34 PHE HB3 H 2.908 0.030 2 321 34 34 PHE HD1 H 6.786 0.030 1 322 34 34 PHE HD2 H 6.786 0.030 1 323 34 34 PHE HE1 H 6.827 0.030 1 324 34 34 PHE HE2 H 6.827 0.030 1 325 34 34 PHE HZ H 6.817 0.030 1 326 34 34 PHE C C 173.702 0.300 1 327 34 34 PHE CA C 51.777 0.300 1 328 34 34 PHE CB C 34.937 0.300 1 329 34 34 PHE CD1 C 128.208 0.300 1 330 34 34 PHE CD2 C 128.208 0.300 1 331 34 34 PHE CE1 C 128.167 0.300 1 332 34 34 PHE CE2 C 128.167 0.300 1 333 34 34 PHE CZ C 126.141 0.300 1 334 34 34 PHE N N 115.524 0.300 1 335 35 35 LEU H H 9.224 0.030 1 336 35 35 LEU HA H 4.932 0.030 1 337 35 35 LEU HB2 H 1.591 0.030 1 338 35 35 LEU HB3 H 1.591 0.030 1 339 35 35 LEU HD1 H 0.864 0.030 1 340 35 35 LEU HD2 H 0.853 0.030 1 341 35 35 LEU HG H 1.475 0.030 1 342 35 35 LEU C C 175.390 0.300 1 343 35 35 LEU CA C 50.467 0.300 1 344 35 35 LEU CB C 41.221 0.300 1 345 35 35 LEU CD1 C 23.720 0.300 2 346 35 35 LEU CD2 C 20.103 0.300 2 347 35 35 LEU CG C 24.821 0.300 1 348 35 35 LEU N N 122.541 0.300 1 349 36 36 PRO HA H 4.367 0.030 1 350 36 36 PRO HB2 H 1.784 0.030 2 351 36 36 PRO HB3 H 2.348 0.030 2 352 36 36 PRO HD2 H 3.818 0.030 2 353 36 36 PRO HD3 H 3.677 0.030 2 354 36 36 PRO HG2 H 1.973 0.030 1 355 36 36 PRO HG3 H 1.973 0.030 1 356 36 36 PRO C C 173.236 0.300 1 357 36 36 PRO CA C 62.234 0.300 1 358 36 36 PRO CB C 29.473 0.300 1 359 36 36 PRO CD C 48.548 0.300 1 360 36 36 PRO CG C 25.294 0.300 1 361 37 37 ASP H H 7.482 0.030 1 362 37 37 ASP HA H 4.592 0.030 1 363 37 37 ASP HB2 H 2.463 0.030 2 364 37 37 ASP HB3 H 2.776 0.030 2 365 37 37 ASP C C 175.078 0.300 1 366 37 37 ASP CA C 49.323 0.300 1 367 37 37 ASP CB C 37.681 0.300 1 368 37 37 ASP N N 109.392 0.300 1 369 38 38 SER H H 7.776 0.030 1 370 38 38 SER HA H 4.552 0.030 1 371 38 38 SER HB2 H 3.554 0.030 2 372 38 38 SER HB3 H 3.753 0.030 2 373 38 38 SER C C 170.912 0.300 1 374 38 38 SER CA C 60.294 0.300 1 375 38 38 SER CB C 62.578 0.300 1 376 38 38 SER N N 118.897 0.300 1 377 39 39 LYS H H 8.835 0.030 1 378 39 39 LYS HA H 4.735 0.030 1 379 39 39 LYS HB2 H 1.559 0.030 1 380 39 39 LYS HB3 H 1.559 0.030 1 381 39 39 LYS HD2 H 1.496 0.030 1 382 39 39 LYS HD3 H 1.496 0.030 1 383 39 39 LYS HE2 H 2.875 0.030 1 384 39 39 LYS HE3 H 2.875 0.030 1 385 39 39 LYS HG2 H 1.301 0.030 2 386 39 39 LYS HG3 H 1.407 0.030 2 387 39 39 LYS C C 173.241 0.300 1 388 39 39 LYS CA C 51.777 0.300 1 389 39 39 LYS CB C 34.124 0.300 1 390 39 39 LYS CD C 26.961 0.300 1 391 39 39 LYS CE C 39.713 0.300 1 392 39 39 LYS CG C 22.953 0.300 1 393 39 39 LYS N N 122.153 0.300 1 394 40 40 VAL H H 8.798 0.030 1 395 40 40 VAL HA H 4.610 0.030 1 396 40 40 VAL HB H 1.476 0.030 1 397 40 40 VAL HG1 H 0.322 0.030 1 398 40 40 VAL HG2 H 0.496 0.030 1 399 40 40 VAL C C 171.051 0.300 1 400 40 40 VAL CA C 59.069 0.300 1 401 40 40 VAL CB C 31.218 0.300 1 402 40 40 VAL CG1 C 18.936 0.300 2 403 40 40 VAL CG2 C 19.661 0.300 2 404 40 40 VAL N N 120.375 0.300 1 405 41 41 VAL H H 7.944 0.030 1 406 41 41 VAL HA H 4.087 0.030 1 407 41 41 VAL HB H 0.557 0.030 1 408 41 41 VAL HG1 H 0.478 0.030 1 409 41 41 VAL HG2 H 0.536 0.030 1 410 41 41 VAL C C 171.596 0.300 1 411 41 41 VAL CA C 59.103 0.300 1 412 41 41 VAL CB C 31.586 0.300 1 413 41 41 VAL CG1 C 18.142 0.300 2 414 41 41 VAL CG2 C 19.098 0.300 2 415 41 41 VAL N N 127.509 0.300 1 416 42 42 PHE H H 8.698 0.030 1 417 42 42 PHE HA H 5.075 0.030 1 418 42 42 PHE HB2 H 2.863 0.030 2 419 42 42 PHE HB3 H 2.937 0.030 2 420 42 42 PHE HD1 H 6.921 0.030 1 421 42 42 PHE HD2 H 6.921 0.030 1 422 42 42 PHE HE1 H 5.998 0.030 1 423 42 42 PHE HE2 H 5.998 0.030 1 424 42 42 PHE HZ H 5.735 0.030 1 425 42 42 PHE C C 172.461 0.300 1 426 42 42 PHE CA C 54.025 0.300 1 427 42 42 PHE CB C 39.914 0.300 1 428 42 42 PHE CD1 C 128.177 0.300 1 429 42 42 PHE CD2 C 128.177 0.300 1 430 42 42 PHE CE1 C 128.194 0.300 1 431 42 42 PHE CE2 C 128.194 0.300 1 432 42 42 PHE CZ C 126.074 0.300 1 433 42 42 PHE N N 125.680 0.300 1 434 43 43 ILE H H 9.508 0.030 1 435 43 43 ILE HA H 5.376 0.030 1 436 43 43 ILE HB H 1.862 0.030 1 437 43 43 ILE HD1 H 0.825 0.030 1 438 43 43 ILE HG12 H 0.982 0.030 2 439 43 43 ILE HG13 H 1.637 0.030 2 440 43 43 ILE HG2 H 0.975 0.030 1 441 43 43 ILE C C 172.253 0.300 1 442 43 43 ILE CA C 56.935 0.300 1 443 43 43 ILE CB C 41.540 0.300 1 444 43 43 ILE CD1 C 11.727 0.300 1 445 43 43 ILE CG1 C 24.390 0.300 1 446 43 43 ILE CG2 C 17.578 0.300 1 447 43 43 ILE N N 112.452 0.300 1 448 44 44 GLU H H 8.926 0.030 1 449 44 44 GLU HA H 5.059 0.030 1 450 44 44 GLU HB2 H 2.628 0.030 2 451 44 44 GLU HB3 H 2.433 0.030 2 452 44 44 GLU HG2 H 2.718 0.030 2 453 44 44 GLU HG3 H 2.304 0.030 2 454 44 44 GLU C C 173.221 0.300 1 455 44 44 GLU CA C 53.093 0.300 1 456 44 44 GLU CB C 32.216 0.300 1 457 44 44 GLU CG C 32.742 0.300 1 458 44 44 GLU N N 120.471 0.300 1 459 45 45 ARG H H 9.426 0.030 1 460 45 45 ARG HA H 4.985 0.030 1 461 45 45 ARG HB2 H 1.703 0.030 1 462 45 45 ARG HB3 H 1.703 0.030 1 463 45 45 ARG HD2 H 3.024 0.030 2 464 45 45 ARG HD3 H 3.092 0.030 2 465 45 45 ARG HE H 7.055 0.030 1 466 45 45 ARG HG2 H 1.505 0.030 1 467 45 45 ARG HG3 H 1.505 0.030 1 468 45 45 ARG C C 174.199 0.300 1 469 45 45 ARG CA C 53.038 0.300 1 470 45 45 ARG CB C 30.492 0.300 1 471 45 45 ARG CD C 40.992 0.300 1 472 45 45 ARG CG C 25.770 0.300 1 473 45 45 ARG N N 127.821 0.300 1 474 45 45 ARG NE N 83.695 0.300 1 475 46 46 GLY H H 8.886 0.030 1 476 46 46 GLY HA2 H 4.097 0.030 2 477 46 46 GLY HA3 H 4.525 0.030 2 478 46 46 GLY C C 171.399 0.300 1 479 46 46 GLY CA C 42.160 0.300 1 480 46 46 GLY N N 109.765 0.300 1 481 47 47 PRO HA H 4.363 0.030 1 482 47 47 PRO HB2 H 1.947 0.030 2 483 47 47 PRO HB3 H 2.328 0.030 2 484 47 47 PRO HD2 H 3.702 0.030 1 485 47 47 PRO HD3 H 3.702 0.030 1 486 47 47 PRO HG2 H 2.027 0.030 1 487 47 47 PRO HG3 H 2.027 0.030 1 488 47 47 PRO C C 174.492 0.300 1 489 47 47 PRO CA C 62.458 0.300 1 490 47 47 PRO CB C 29.358 0.300 1 491 47 47 PRO CD C 47.548 0.300 1 492 47 47 PRO CG C 24.996 0.300 1 493 48 48 ASP H H 8.049 0.030 1 494 48 48 ASP HA H 4.490 0.030 1 495 48 48 ASP HB2 H 2.618 0.030 2 496 48 48 ASP HB3 H 2.913 0.030 2 497 48 48 ASP C C 174.589 0.300 1 498 48 48 ASP CA C 50.682 0.300 1 499 48 48 ASP CB C 37.772 0.300 1 500 48 48 ASP N N 115.276 0.300 1 501 49 49 GLY H H 8.191 0.030 1 502 49 49 GLY HA2 H 3.525 0.030 2 503 49 49 GLY HA3 H 4.206 0.030 2 504 49 49 GLY C C 171.906 0.300 1 505 49 49 GLY CA C 43.028 0.300 1 506 49 49 GLY N N 107.476 0.300 1 507 50 50 LYS H H 7.667 0.030 1 508 50 50 LYS HA H 4.228 0.030 1 509 50 50 LYS HB2 H 1.719 0.030 2 510 50 50 LYS HB3 H 1.794 0.030 2 511 50 50 LYS HD2 H 1.609 0.030 1 512 50 50 LYS HD3 H 1.609 0.030 1 513 50 50 LYS HE2 H 2.896 0.030 1 514 50 50 LYS HE3 H 2.896 0.030 1 515 50 50 LYS HG2 H 1.289 0.030 2 516 50 50 LYS HG3 H 1.240 0.030 2 517 50 50 LYS C C 174.609 0.300 1 518 50 50 LYS CA C 53.805 0.300 1 519 50 50 LYS CB C 30.556 0.300 1 520 50 50 LYS CD C 26.667 0.300 1 521 50 50 LYS CE C 39.880 0.300 1 522 50 50 LYS CG C 23.071 0.300 1 523 50 50 LYS N N 120.944 0.300 1 524 51 51 LEU H H 8.741 0.030 1 525 51 51 LEU HA H 4.449 0.030 1 526 51 51 LEU HB2 H 1.473 0.030 2 527 51 51 LEU HB3 H 1.678 0.030 2 528 51 51 LEU HD1 H 0.845 0.030 1 529 51 51 LEU HD2 H 0.927 0.030 1 530 51 51 LEU HG H 1.628 0.030 1 531 51 51 LEU C C 174.968 0.300 1 532 51 51 LEU CA C 53.921 0.300 1 533 51 51 LEU CB C 39.687 0.300 1 534 51 51 LEU CD1 C 22.471 0.300 2 535 51 51 LEU CD2 C 22.981 0.300 2 536 51 51 LEU CG C 24.794 0.300 1 537 51 51 LEU N N 123.734 0.300 1 538 52 52 GLN H H 9.043 0.030 1 539 52 52 GLN HA H 4.511 0.030 1 540 52 52 GLN HB2 H 1.838 0.030 2 541 52 52 GLN HB3 H 2.094 0.030 2 542 52 52 GLN HE21 H 7.340 0.030 2 543 52 52 GLN HE22 H 6.805 0.030 2 544 52 52 GLN HG2 H 2.281 0.030 2 545 52 52 GLN HG3 H 2.345 0.030 2 546 52 52 GLN C C 172.902 0.300 1 547 52 52 GLN CA C 53.449 0.300 1 548 52 52 GLN CB C 28.807 0.300 1 549 52 52 GLN CG C 31.379 0.300 1 550 52 52 GLN N N 123.402 0.300 1 551 52 52 GLN NE2 N 110.969 0.300 1 552 53 53 TRP H H 7.846 0.030 1 553 53 53 TRP HA H 4.657 0.030 1 554 53 53 TRP HB2 H 3.303 0.030 2 555 53 53 TRP HB3 H 3.467 0.030 2 556 53 53 TRP HD1 H 7.272 0.030 1 557 53 53 TRP HE1 H 10.240 0.030 1 558 53 53 TRP HE3 H 7.638 0.030 1 559 53 53 TRP HH2 H 6.909 0.030 1 560 53 53 TRP HZ2 H 7.415 0.030 1 561 53 53 TRP HZ3 H 7.111 0.030 1 562 53 53 TRP C C 170.868 0.300 1 563 53 53 TRP CA C 55.477 0.300 1 564 53 53 TRP CB C 28.927 0.300 1 565 53 53 TRP CD1 C 124.625 0.300 1 566 53 53 TRP CE3 C 118.198 0.300 1 567 53 53 TRP CH2 C 120.840 0.300 1 568 53 53 TRP CZ2 C 112.520 0.300 1 569 53 53 TRP CZ3 C 118.850 0.300 1 570 53 53 TRP N N 120.825 0.300 1 571 53 53 TRP NE1 N 129.610 0.300 1 572 54 54 GLU H H 7.504 0.030 1 573 54 54 GLU HA H 4.818 0.030 1 574 54 54 GLU HB2 H 1.715 0.030 2 575 54 54 GLU HB3 H 1.879 0.030 2 576 54 54 GLU HG2 H 2.007 0.030 2 577 54 54 GLU HG3 H 1.804 0.030 2 578 54 54 GLU C C 171.778 0.300 1 579 54 54 GLU CA C 52.702 0.300 1 580 54 54 GLU CB C 29.453 0.300 1 581 54 54 GLU CG C 31.710 0.300 1 582 54 54 GLU N N 125.919 0.300 1 583 55 55 GLU H H 8.455 0.030 1 584 55 55 GLU HA H 4.288 0.030 1 585 55 55 GLU HB2 H 1.155 0.030 2 586 55 55 GLU HB3 H 1.429 0.030 2 587 55 55 GLU HG2 H 1.891 0.030 2 588 55 55 GLU HG3 H 2.260 0.030 2 589 55 55 GLU C C 172.010 0.300 1 590 55 55 GLU CA C 52.352 0.300 1 591 55 55 GLU CB C 30.869 0.300 1 592 55 55 GLU CG C 31.586 0.300 1 593 55 55 GLU N N 123.813 0.300 1 594 56 56 GLU H H 8.644 0.030 1 595 56 56 GLU HA H 4.554 0.030 1 596 56 56 GLU HB2 H 1.832 0.030 2 597 56 56 GLU HB3 H 1.901 0.030 2 598 56 56 GLU HG2 H 2.177 0.030 2 599 56 56 GLU HG3 H 2.252 0.030 2 600 56 56 GLU C C 173.555 0.300 1 601 56 56 GLU CA C 53.606 0.300 1 602 56 56 GLU CB C 27.570 0.300 1 603 56 56 GLU CG C 34.079 0.300 1 604 56 56 GLU N N 124.471 0.300 1 605 57 57 ALA H H 8.776 0.030 1 606 57 57 ALA HA H 4.446 0.030 1 607 57 57 ALA HB H 1.239 0.030 1 608 57 57 ALA C C 174.461 0.300 1 609 57 57 ALA CA C 48.410 0.300 1 610 57 57 ALA CB C 19.801 0.300 1 611 57 57 ALA N N 127.217 0.300 1 612 58 58 THR H H 8.849 0.030 1 613 58 58 THR HA H 4.176 0.030 1 614 58 58 THR HB H 3.897 0.030 1 615 58 58 THR HG2 H 1.074 0.030 1 616 58 58 THR C C 171.854 0.300 1 617 58 58 THR CA C 60.725 0.300 1 618 58 58 THR CB C 66.910 0.300 1 619 58 58 THR CG2 C 19.641 0.300 1 620 58 58 THR N N 118.378 0.300 1 621 59 59 VAL H H 8.792 0.030 1 622 59 59 VAL HA H 3.808 0.030 1 623 59 59 VAL HB H 1.736 0.030 1 624 59 59 VAL HG1 H 0.693 0.030 1 625 59 59 VAL HG2 H 0.804 0.030 1 626 59 59 VAL C C 172.978 0.300 1 627 59 59 VAL CA C 59.901 0.300 1 628 59 59 VAL CB C 31.141 0.300 1 629 59 59 VAL CG1 C 20.116 0.300 2 630 59 59 VAL CG2 C 19.505 0.300 2 631 59 59 VAL N N 130.955 0.300 1 632 60 60 ASN H H 9.018 0.030 1 633 60 60 ASN HA H 4.611 0.030 1 634 60 60 ASN HB2 H 2.580 0.030 2 635 60 60 ASN HB3 H 2.677 0.030 2 636 60 60 ASN HD21 H 6.709 0.030 2 637 60 60 ASN HD22 H 7.503 0.030 2 638 60 60 ASN C C 174.377 0.300 1 639 60 60 ASN CA C 49.252 0.300 1 640 60 60 ASN CB C 34.240 0.300 1 641 60 60 ASN N N 124.793 0.300 1 642 60 60 ASN ND2 N 110.515 0.300 1 643 61 61 ARG H H 8.890 0.030 1 644 61 61 ARG HA H 3.829 0.030 1 645 61 61 ARG HB2 H 1.895 0.030 2 646 61 61 ARG HB3 H 1.971 0.030 2 647 61 61 ARG HD2 H 3.048 0.030 2 648 61 61 ARG HD3 H 3.188 0.030 2 649 61 61 ARG HE H 7.215 0.030 1 650 61 61 ARG HG2 H 1.672 0.030 2 651 61 61 ARG HG3 H 1.880 0.030 2 652 61 61 ARG C C 176.150 0.300 1 653 61 61 ARG CA C 55.437 0.300 1 654 61 61 ARG CB C 26.648 0.300 1 655 61 61 ARG CD C 40.306 0.300 1 656 61 61 ARG CG C 23.737 0.300 1 657 61 61 ARG N N 127.220 0.300 1 658 61 61 ARG NE N 85.123 0.300 1 659 62 62 LEU H H 7.818 0.030 1 660 62 62 LEU HA H 4.235 0.030 1 661 62 62 LEU HB2 H 1.826 0.030 2 662 62 62 LEU HB3 H 1.612 0.030 2 663 62 62 LEU HD1 H 0.901 0.030 1 664 62 62 LEU HD2 H 0.848 0.030 1 665 62 62 LEU HG H 1.672 0.030 1 666 62 62 LEU C C 175.974 0.300 1 667 62 62 LEU CA C 54.548 0.300 1 668 62 62 LEU CB C 39.141 0.300 1 669 62 62 LEU CD1 C 22.460 0.300 2 670 62 62 LEU CD2 C 20.912 0.300 2 671 62 62 LEU CG C 25.124 0.300 1 672 62 62 LEU N N 117.122 0.300 1 673 63 63 GLN H H 6.815 0.030 1 674 63 63 GLN HA H 4.507 0.030 1 675 63 63 GLN HB2 H 1.192 0.030 2 676 63 63 GLN HB3 H 2.504 0.030 2 677 63 63 GLN HE21 H 7.286 0.030 2 678 63 63 GLN HE22 H 6.730 0.030 2 679 63 63 GLN HG2 H 2.160 0.030 2 680 63 63 GLN HG3 H 2.194 0.030 2 681 63 63 GLN C C 172.753 0.300 1 682 63 63 GLN CA C 51.762 0.300 1 683 63 63 GLN CB C 26.653 0.300 1 684 63 63 GLN CG C 31.545 0.300 1 685 63 63 GLN N N 115.254 0.300 1 686 63 63 GLN NE2 N 110.696 0.300 1 687 64 64 SER H H 7.072 0.030 1 688 64 64 SER HA H 4.924 0.030 1 689 64 64 SER HB2 H 4.232 0.030 2 690 64 64 SER HB3 H 3.627 0.030 2 691 64 64 SER C C 169.079 0.300 1 692 64 64 SER CA C 55.832 0.300 1 693 64 64 SER CB C 64.205 0.300 1 694 64 64 SER N N 116.457 0.300 1 695 65 65 ASN H H 9.861 0.030 1 696 65 65 ASN HA H 4.676 0.030 1 697 65 65 ASN HB2 H 3.045 0.030 2 698 65 65 ASN HB3 H 3.177 0.030 2 699 65 65 ASN HD21 H 6.854 0.030 2 700 65 65 ASN HD22 H 7.438 0.030 2 701 65 65 ASN C C 173.046 0.300 1 702 65 65 ASN CA C 50.817 0.300 1 703 65 65 ASN CB C 35.073 0.300 1 704 65 65 ASN N N 122.802 0.300 1 705 65 65 ASN ND2 N 111.834 0.300 1 706 66 66 GLU H H 8.807 0.030 1 707 66 66 GLU HA H 4.423 0.030 1 708 66 66 GLU HB2 H 2.104 0.030 1 709 66 66 GLU HB3 H 2.104 0.030 1 710 66 66 GLU HG2 H 2.463 0.030 1 711 66 66 GLU HG3 H 2.463 0.030 1 712 66 66 GLU C C 174.019 0.300 1 713 66 66 GLU CA C 57.076 0.300 1 714 66 66 GLU CB C 27.079 0.300 1 715 66 66 GLU CG C 33.733 0.300 1 716 66 66 GLU N N 116.885 0.300 1 717 67 67 VAL H H 7.791 0.030 1 718 67 67 VAL HA H 4.456 0.030 1 719 67 67 VAL HB H 2.556 0.030 1 720 67 67 VAL HG1 H 0.851 0.030 1 721 67 67 VAL HG2 H 0.792 0.030 1 722 67 67 VAL C C 173.448 0.300 1 723 67 67 VAL CA C 57.763 0.300 1 724 67 67 VAL CB C 31.276 0.300 1 725 67 67 VAL CG1 C 19.579 0.300 2 726 67 67 VAL CG2 C 16.212 0.300 2 727 67 67 VAL N N 106.467 0.300 1 728 68 68 THR H H 7.749 0.030 1 729 68 68 THR HA H 5.555 0.030 1 730 68 68 THR HB H 3.766 0.030 1 731 68 68 THR HG2 H 1.123 0.030 1 732 68 68 THR C C 170.567 0.300 1 733 68 68 THR CA C 58.925 0.300 1 734 68 68 THR CB C 69.681 0.300 1 735 68 68 THR CG2 C 19.239 0.300 1 736 68 68 THR N N 119.613 0.300 1 737 69 69 LEU H H 8.929 0.030 1 738 69 69 LEU HA H 4.589 0.030 1 739 69 69 LEU HB2 H 0.928 0.030 2 740 69 69 LEU HB3 H 0.713 0.030 2 741 69 69 LEU HD1 H -0.147 0.030 1 742 69 69 LEU HD2 H 0.575 0.030 1 743 69 69 LEU HG H 0.900 0.030 1 744 69 69 LEU C C 172.237 0.300 1 745 69 69 LEU CA C 51.621 0.300 1 746 69 69 LEU CB C 43.523 0.300 1 747 69 69 LEU CD1 C 23.736 0.300 2 748 69 69 LEU CD2 C 23.135 0.300 2 749 69 69 LEU CG C 24.920 0.300 1 750 69 69 LEU N N 126.327 0.300 1 751 70 70 THR H H 8.242 0.030 1 752 70 70 THR HA H 4.821 0.030 1 753 70 70 THR HB H 3.600 0.030 1 754 70 70 THR HG2 H 1.081 0.030 1 755 70 70 THR C C 170.439 0.300 1 756 70 70 THR CA C 59.500 0.300 1 757 70 70 THR CB C 67.276 0.300 1 758 70 70 THR CG2 C 19.183 0.300 1 759 70 70 THR N N 121.177 0.300 1 760 71 71 LEU H H 9.235 0.030 1 761 71 71 LEU HA H 4.995 0.030 1 762 71 71 LEU HB2 H 1.429 0.030 2 763 71 71 LEU HB3 H 1.294 0.030 2 764 71 71 LEU HD1 H 0.435 0.030 1 765 71 71 LEU HD2 H 0.422 0.030 1 766 71 71 LEU HG H 1.484 0.030 1 767 71 71 LEU C C 171.878 0.300 1 768 71 71 LEU CA C 51.599 0.300 1 769 71 71 LEU CB C 42.330 0.300 1 770 71 71 LEU CD1 C 25.333 0.300 2 771 71 71 LEU CD2 C 25.333 0.300 2 772 71 71 LEU CG C 23.532 0.300 1 773 71 71 LEU N N 123.606 0.300 1 774 72 72 THR H H 7.730 0.030 1 775 72 72 THR HA H 4.590 0.030 1 776 72 72 THR HB H 3.655 0.030 1 777 72 72 THR HG2 H 0.953 0.030 1 778 72 72 THR C C 172.214 0.300 1 779 72 72 THR CA C 58.784 0.300 1 780 72 72 THR CB C 67.738 0.300 1 781 72 72 THR CG2 C 19.579 0.300 1 782 72 72 THR N N 114.912 0.300 1 783 73 73 VAL H H 8.715 0.030 1 784 73 73 VAL HA H 3.177 0.030 1 785 73 73 VAL HB H 1.667 0.030 1 786 73 73 VAL HG1 H 0.770 0.030 1 787 73 73 VAL HG2 H 0.658 0.030 1 788 73 73 VAL C C 171.496 0.300 1 789 73 73 VAL CA C 59.543 0.300 1 790 73 73 VAL CB C 31.394 0.300 1 791 73 73 VAL CG1 C 18.923 0.300 2 792 73 73 VAL CG2 C 21.261 0.300 2 793 73 73 VAL N N 129.273 0.300 1 794 74 74 PRO HA H 4.328 0.030 1 795 74 74 PRO HB2 H 1.737 0.030 2 796 74 74 PRO HB3 H 2.162 0.030 2 797 74 74 PRO HD2 H 3.037 0.030 2 798 74 74 PRO HD3 H 2.075 0.030 2 799 74 74 PRO HG2 H 1.360 0.030 1 800 74 74 PRO HG3 H 1.360 0.030 1 801 74 74 PRO C C 171.470 0.300 1 802 74 74 PRO CA C 60.241 0.300 1 803 74 74 PRO CB C 30.122 0.300 1 804 74 74 PRO CD C 48.270 0.300 1 805 74 74 PRO CG C 24.528 0.300 1 806 75 75 GLU H H 7.772 0.030 1 807 75 75 GLU HA H 3.664 0.030 1 808 75 75 GLU HB2 H 1.727 0.030 2 809 75 75 GLU HB3 H 1.818 0.030 2 810 75 75 GLU HG2 H 2.064 0.030 2 811 75 75 GLU HG3 H 2.223 0.030 2 812 75 75 GLU C C 173.546 0.300 1 813 75 75 GLU CA C 53.341 0.300 1 814 75 75 GLU CB C 28.154 0.300 1 815 75 75 GLU CG C 32.858 0.300 1 816 75 75 GLU N N 115.233 0.300 1 817 76 76 TYR H H 7.694 0.030 1 818 76 76 TYR HA H 3.660 0.030 1 819 76 76 TYR HB2 H 1.615 0.030 2 820 76 76 TYR HB3 H 0.734 0.030 2 821 76 76 TYR HD1 H 5.740 0.030 1 822 76 76 TYR HD2 H 5.740 0.030 1 823 76 76 TYR HE1 H 6.258 0.030 1 824 76 76 TYR HE2 H 6.258 0.030 1 825 76 76 TYR C C 172.689 0.300 1 826 76 76 TYR CA C 54.569 0.300 1 827 76 76 TYR CB C 35.452 0.300 1 828 76 76 TYR CD1 C 129.393 0.300 1 829 76 76 TYR CD2 C 129.393 0.300 1 830 76 76 TYR CE1 C 116.301 0.300 1 831 76 76 TYR CE2 C 116.301 0.300 1 832 76 76 TYR N N 123.629 0.300 1 833 77 77 SER HA H 3.764 0.030 1 834 77 77 SER HB2 H 3.249 0.030 2 835 77 77 SER HB3 H 3.474 0.030 2 836 77 77 SER C C 171.625 0.300 1 837 77 77 SER CA C 56.895 0.300 1 838 77 77 SER CB C 60.631 0.300 1 839 78 78 ASN H H 5.749 0.030 1 840 78 78 ASN HA H 4.640 0.030 1 841 78 78 ASN HB2 H 2.447 0.030 2 842 78 78 ASN HB3 H 2.737 0.030 2 843 78 78 ASN HD21 H 6.826 0.030 2 844 78 78 ASN HD22 H 7.517 0.030 2 845 78 78 ASN C C 172.173 0.300 1 846 78 78 ASN CA C 49.217 0.300 1 847 78 78 ASN CB C 36.238 0.300 1 848 78 78 ASN N N 117.413 0.300 1 849 78 78 ASN ND2 N 110.776 0.300 1 850 79 79 LYS H H 8.455 0.030 1 851 79 79 LYS HA H 4.046 0.030 1 852 79 79 LYS HB2 H 1.577 0.030 2 853 79 79 LYS HB3 H 1.851 0.030 2 854 79 79 LYS HD2 H 1.426 0.030 2 855 79 79 LYS HD3 H 1.476 0.030 2 856 79 79 LYS HE2 H 2.869 0.030 1 857 79 79 LYS HE3 H 2.869 0.030 1 858 79 79 LYS HG2 H 1.210 0.030 2 859 79 79 LYS HG3 H 1.277 0.030 2 860 79 79 LYS C C 174.947 0.300 1 861 79 79 LYS CA C 54.203 0.300 1 862 79 79 LYS CB C 29.236 0.300 1 863 79 79 LYS CD C 26.588 0.300 1 864 79 79 LYS CE C 39.797 0.300 1 865 79 79 LYS CG C 23.063 0.300 1 866 79 79 LYS N N 119.844 0.300 1 867 80 80 ARG H H 8.188 0.030 1 868 80 80 ARG HA H 4.347 0.030 1 869 80 80 ARG HB2 H 1.686 0.030 2 870 80 80 ARG HB3 H 1.971 0.030 2 871 80 80 ARG HD2 H 3.107 0.030 1 872 80 80 ARG HD3 H 3.107 0.030 1 873 80 80 ARG HG2 H 1.431 0.030 2 874 80 80 ARG HG3 H 1.524 0.030 2 875 80 80 ARG C C 173.626 0.300 1 876 80 80 ARG CA C 53.170 0.300 1 877 80 80 ARG CB C 27.177 0.300 1 878 80 80 ARG CD C 40.914 0.300 1 879 80 80 ARG CG C 25.154 0.300 1 880 80 80 ARG N N 119.201 0.300 1 881 81 81 VAL H H 6.709 0.030 1 882 81 81 VAL HA H 4.135 0.030 1 883 81 81 VAL HB H 2.281 0.030 1 884 81 81 VAL HG1 H 1.012 0.030 1 885 81 81 VAL HG2 H 0.815 0.030 1 886 81 81 VAL C C 173.374 0.300 1 887 81 81 VAL CA C 59.760 0.300 1 888 81 81 VAL CB C 30.425 0.300 1 889 81 81 VAL CG1 C 19.648 0.300 2 890 81 81 VAL CG2 C 16.828 0.300 2 891 81 81 VAL N N 114.457 0.300 1 892 82 82 SER H H 8.734 0.030 1 893 82 82 SER HA H 4.549 0.030 1 894 82 82 SER HB2 H 3.733 0.030 2 895 82 82 SER HB3 H 3.951 0.030 2 896 82 82 SER C C 171.197 0.300 1 897 82 82 SER CA C 55.829 0.300 1 898 82 82 SER CB C 62.160 0.300 1 899 82 82 SER N N 115.307 0.300 1 900 83 83 ARG H H 7.393 0.030 1 901 83 83 ARG HA H 4.756 0.030 1 902 83 83 ARG HB2 H 1.594 0.030 2 903 83 83 ARG HB3 H 1.827 0.030 2 904 83 83 ARG HD2 H 3.141 0.030 1 905 83 83 ARG HD3 H 3.141 0.030 1 906 83 83 ARG HG2 H 1.533 0.030 1 907 83 83 ARG HG3 H 1.533 0.030 1 908 83 83 ARG C C 169.476 0.300 1 909 83 83 ARG CA C 50.721 0.300 1 910 83 83 ARG CB C 29.074 0.300 1 911 83 83 ARG CD C 40.916 0.300 1 912 83 83 ARG CG C 24.006 0.300 1 913 83 83 ARG N N 120.514 0.300 1 914 84 84 PRO HA H 4.683 0.030 1 915 84 84 PRO HB2 H 1.674 0.030 2 916 84 84 PRO HB3 H 2.009 0.030 2 917 84 84 PRO HD2 H 3.474 0.030 2 918 84 84 PRO HD3 H 3.736 0.030 2 919 84 84 PRO HG2 H 1.756 0.030 2 920 84 84 PRO HG3 H 2.006 0.030 2 921 84 84 PRO C C 173.351 0.300 1 922 84 84 PRO CA C 60.705 0.300 1 923 84 84 PRO CB C 30.127 0.300 1 924 84 84 PRO CD C 48.159 0.300 1 925 84 84 PRO CG C 25.743 0.300 1 926 85 85 VAL H H 8.866 0.030 1 927 85 85 VAL HA H 4.082 0.030 1 928 85 85 VAL HB H 1.518 0.030 1 929 85 85 VAL HG1 H 0.538 0.030 1 930 85 85 VAL HG2 H 0.666 0.030 1 931 85 85 VAL C C 172.868 0.300 1 932 85 85 VAL CA C 58.607 0.300 1 933 85 85 VAL CB C 32.995 0.300 1 934 85 85 VAL CG1 C 18.393 0.300 2 935 85 85 VAL CG2 C 18.509 0.300 2 936 85 85 VAL N N 122.897 0.300 1 937 86 86 GLN H H 8.638 0.030 1 938 86 86 GLN HA H 4.397 0.030 1 939 86 86 GLN HB2 H 1.919 0.030 2 940 86 86 GLN HB3 H 2.122 0.030 2 941 86 86 GLN HE21 H 7.036 0.030 2 942 86 86 GLN HE22 H 7.195 0.030 2 943 86 86 GLN HG2 H 2.302 0.030 2 944 86 86 GLN HG3 H 1.899 0.030 2 945 86 86 GLN C C 172.592 0.300 1 946 86 86 GLN CA C 53.399 0.300 1 947 86 86 GLN CB C 27.198 0.300 1 948 86 86 GLN CG C 31.809 0.300 1 949 86 86 GLN N N 126.705 0.300 1 950 86 86 GLN NE2 N 115.179 0.300 1 951 87 87 VAL H H 8.791 0.030 1 952 87 87 VAL HA H 5.023 0.030 1 953 87 87 VAL HB H 3.110 0.030 1 954 87 87 VAL HG1 H 1.055 0.030 1 955 87 87 VAL HG2 H 0.987 0.030 1 956 87 87 VAL C C 170.608 0.300 1 957 87 87 VAL CA C 57.325 0.300 1 958 87 87 VAL CB C 32.376 0.300 1 959 87 87 VAL CG1 C 20.211 0.300 2 960 87 87 VAL CG2 C 17.664 0.300 2 961 87 87 VAL N N 122.351 0.300 1 962 88 88 TYR H H 9.103 0.030 1 963 88 88 TYR HA H 5.619 0.030 1 964 88 88 TYR HB2 H 2.503 0.030 2 965 88 88 TYR HB3 H 2.789 0.030 2 966 88 88 TYR HD1 H 6.870 0.030 1 967 88 88 TYR HD2 H 6.870 0.030 1 968 88 88 TYR HE1 H 6.785 0.030 1 969 88 88 TYR HE2 H 6.785 0.030 1 970 88 88 TYR C C 172.017 0.300 1 971 88 88 TYR CA C 53.861 0.300 1 972 88 88 TYR CB C 41.293 0.300 1 973 88 88 TYR CD1 C 130.661 0.300 1 974 88 88 TYR CD2 C 130.661 0.300 1 975 88 88 TYR CE1 C 115.712 0.300 1 976 88 88 TYR CE2 C 115.712 0.300 1 977 88 88 TYR N N 115.164 0.300 1 978 89 89 PHE H H 8.512 0.030 1 979 89 89 PHE HA H 5.763 0.030 1 980 89 89 PHE HB2 H 1.669 0.030 2 981 89 89 PHE HB3 H 0.755 0.030 2 982 89 89 PHE HD1 H 5.990 0.030 1 983 89 89 PHE HD2 H 5.990 0.030 1 984 89 89 PHE HE1 H 6.439 0.030 1 985 89 89 PHE HE2 H 6.439 0.030 1 986 89 89 PHE HZ H 5.333 0.030 1 987 89 89 PHE C C 171.224 0.300 1 988 89 89 PHE CA C 52.762 0.300 1 989 89 89 PHE CB C 38.710 0.300 1 990 89 89 PHE CD1 C 128.449 0.300 1 991 89 89 PHE CD2 C 128.449 0.300 1 992 89 89 PHE CE1 C 127.684 0.300 1 993 89 89 PHE CE2 C 127.684 0.300 1 994 89 89 PHE CZ C 126.301 0.300 1 995 89 89 PHE N N 113.182 0.300 1 996 90 90 TYR H H 8.271 0.030 1 997 90 90 TYR HA H 4.435 0.030 1 998 90 90 TYR HB2 H 2.957 0.030 2 999 90 90 TYR HB3 H 2.456 0.030 2 1000 90 90 TYR HD1 H 6.461 0.030 1 1001 90 90 TYR HD2 H 6.461 0.030 1 1002 90 90 TYR HE1 H 6.460 0.030 1 1003 90 90 TYR HE2 H 6.460 0.030 1 1004 90 90 TYR C C 169.744 0.300 1 1005 90 90 TYR CA C 53.200 0.300 1 1006 90 90 TYR CB C 38.518 0.300 1 1007 90 90 TYR CD1 C 130.651 0.300 1 1008 90 90 TYR CD2 C 130.651 0.300 1 1009 90 90 TYR CE1 C 114.595 0.300 1 1010 90 90 TYR CE2 C 114.595 0.300 1 1011 90 90 TYR N N 113.357 0.300 1 1012 91 91 VAL H H 8.368 0.030 1 1013 91 91 VAL HA H 4.768 0.030 1 1014 91 91 VAL HB H 1.552 0.030 1 1015 91 91 VAL HG1 H 0.808 0.030 1 1016 91 91 VAL HG2 H 0.605 0.030 1 1017 91 91 VAL C C 173.103 0.300 1 1018 91 91 VAL CA C 57.966 0.300 1 1019 91 91 VAL CB C 31.501 0.300 1 1020 91 91 VAL CG1 C 18.981 0.300 2 1021 91 91 VAL CG2 C 19.953 0.300 2 1022 91 91 VAL N N 119.295 0.300 1 1023 92 92 SER H H 9.545 0.030 1 1024 92 92 SER HA H 5.297 0.030 1 1025 92 92 SER HB2 H 3.647 0.030 2 1026 92 92 SER HB3 H 3.718 0.030 2 1027 92 92 SER C C 171.784 0.300 1 1028 92 92 SER CA C 53.757 0.300 1 1029 92 92 SER CB C 63.006 0.300 1 1030 92 92 SER N N 119.758 0.300 1 1031 93 93 ASN H H 8.972 0.030 1 1032 93 93 ASN HA H 5.224 0.030 1 1033 93 93 ASN HB2 H 2.656 0.030 2 1034 93 93 ASN HB3 H 3.222 0.030 2 1035 93 93 ASN HD21 H 7.690 0.030 2 1036 93 93 ASN HD22 H 7.458 0.030 2 1037 93 93 ASN C C 172.318 0.300 1 1038 93 93 ASN CA C 49.356 0.300 1 1039 93 93 ASN CB C 36.268 0.300 1 1040 93 93 ASN N N 127.453 0.300 1 1041 93 93 ASN ND2 N 109.289 0.300 1 1042 94 94 GLY H H 8.158 0.030 1 1043 94 94 GLY HA2 H 3.701 0.030 2 1044 94 94 GLY HA3 H 4.297 0.030 2 1045 94 94 GLY C C 171.023 0.300 1 1046 94 94 GLY CA C 41.885 0.300 1 1047 94 94 GLY N N 109.360 0.300 1 1048 95 95 ARG H H 8.607 0.030 1 1049 95 95 ARG HA H 3.927 0.030 1 1050 95 95 ARG HB2 H 1.743 0.030 1 1051 95 95 ARG HB3 H 1.743 0.030 1 1052 95 95 ARG HD2 H 3.130 0.030 1 1053 95 95 ARG HD3 H 3.130 0.030 1 1054 95 95 ARG HG2 H 1.525 0.030 2 1055 95 95 ARG HG3 H 1.607 0.030 2 1056 95 95 ARG C C 174.805 0.300 1 1057 95 95 ARG CA C 56.117 0.300 1 1058 95 95 ARG CB C 27.143 0.300 1 1059 95 95 ARG CD C 41.001 0.300 1 1060 95 95 ARG CG C 25.130 0.300 1 1061 95 95 ARG N N 119.724 0.300 1 1062 96 96 ARG H H 8.766 0.030 1 1063 96 96 ARG HA H 4.071 0.030 1 1064 96 96 ARG HB2 H 1.797 0.030 2 1065 96 96 ARG HB3 H 2.007 0.030 2 1066 96 96 ARG HD2 H 3.100 0.030 2 1067 96 96 ARG HD3 H 3.124 0.030 2 1068 96 96 ARG HG2 H 1.491 0.030 1 1069 96 96 ARG HG3 H 1.491 0.030 1 1070 96 96 ARG C C 173.860 0.300 1 1071 96 96 ARG CA C 54.255 0.300 1 1072 96 96 ARG CB C 26.726 0.300 1 1073 96 96 ARG CD C 40.922 0.300 1 1074 96 96 ARG CG C 25.627 0.300 1 1075 96 96 ARG N N 115.565 0.300 1 1076 97 97 LYS H H 7.625 0.030 1 1077 97 97 LYS HA H 4.469 0.030 1 1078 97 97 LYS HB2 H 1.653 0.030 2 1079 97 97 LYS HB3 H 1.543 0.030 2 1080 97 97 LYS HD2 H 1.448 0.030 2 1081 97 97 LYS HD3 H 1.610 0.030 2 1082 97 97 LYS HE2 H 2.900 0.030 2 1083 97 97 LYS HE3 H 2.875 0.030 2 1084 97 97 LYS HG2 H 1.170 0.030 2 1085 97 97 LYS HG3 H 1.320 0.030 2 1086 97 97 LYS C C 171.630 0.300 1 1087 97 97 LYS CA C 52.560 0.300 1 1088 97 97 LYS CB C 30.734 0.300 1 1089 97 97 LYS CD C 27.211 0.300 1 1090 97 97 LYS CE C 39.963 0.300 1 1091 97 97 LYS CG C 22.137 0.300 1 1092 97 97 LYS N N 120.994 0.300 1 1093 98 98 ARG H H 7.990 0.030 1 1094 98 98 ARG HA H 5.479 0.030 1 1095 98 98 ARG HB2 H 1.483 0.030 2 1096 98 98 ARG HB3 H 1.737 0.030 2 1097 98 98 ARG HD2 H 2.100 0.030 2 1098 98 98 ARG HD3 H 2.502 0.030 2 1099 98 98 ARG HE H 6.824 0.030 1 1100 98 98 ARG HG2 H 1.374 0.030 1 1101 98 98 ARG HG3 H 1.374 0.030 1 1102 98 98 ARG C C 174.028 0.300 1 1103 98 98 ARG CA C 51.996 0.300 1 1104 98 98 ARG CB C 31.501 0.300 1 1105 98 98 ARG CD C 41.347 0.300 1 1106 98 98 ARG CG C 24.216 0.300 1 1107 98 98 ARG N N 121.276 0.300 1 1108 98 98 ARG NE N 84.139 0.300 1 1109 99 99 SER H H 9.205 0.030 1 1110 99 99 SER HA H 4.874 0.030 1 1111 99 99 SER HB2 H 3.578 0.030 2 1112 99 99 SER HB3 H 4.387 0.030 2 1113 99 99 SER C C 169.135 0.300 1 1114 99 99 SER CA C 55.054 0.300 1 1115 99 99 SER CB C 61.677 0.300 1 1116 99 99 SER N N 117.597 0.300 1 1117 100 100 PRO HA H 4.536 0.030 1 1118 100 100 PRO HB2 H 1.568 0.030 2 1119 100 100 PRO HB3 H 2.412 0.030 2 1120 100 100 PRO HD2 H 3.959 0.030 2 1121 100 100 PRO HD3 H 3.688 0.030 2 1122 100 100 PRO HG2 H 1.960 0.030 2 1123 100 100 PRO HG3 H 2.060 0.030 2 1124 100 100 PRO C C 176.151 0.300 1 1125 100 100 PRO CA C 60.548 0.300 1 1126 100 100 PRO CB C 29.599 0.300 1 1127 100 100 PRO CD C 48.281 0.300 1 1128 100 100 PRO CG C 26.029 0.300 1 1129 101 101 THR H H 8.355 0.030 1 1130 101 101 THR HA H 4.272 0.030 1 1131 101 101 THR HB H 3.954 0.030 1 1132 101 101 THR HG2 H 1.003 0.030 1 1133 101 101 THR C C 172.038 0.300 1 1134 101 101 THR CA C 59.311 0.300 1 1135 101 101 THR CB C 67.336 0.300 1 1136 101 101 THR CG2 C 21.001 0.300 1 1137 101 101 THR N N 115.590 0.300 1 1138 102 102 GLN H H 8.780 0.030 1 1139 102 102 GLN HA H 4.390 0.030 1 1140 102 102 GLN HB2 H 1.479 0.030 2 1141 102 102 GLN HB3 H -0.584 0.030 2 1142 102 102 GLN HE21 H 7.078 0.030 2 1143 102 102 GLN HE22 H 6.340 0.030 2 1144 102 102 GLN HG2 H 1.821 0.030 2 1145 102 102 GLN HG3 H 1.388 0.030 2 1146 102 102 GLN C C 173.021 0.300 1 1147 102 102 GLN CA C 49.949 0.300 1 1148 102 102 GLN CB C 27.006 0.300 1 1149 102 102 GLN CG C 30.143 0.300 1 1150 102 102 GLN N N 119.844 0.300 1 1151 102 102 GLN NE2 N 112.155 0.300 1 1152 103 103 SER H H 8.380 0.030 1 1153 103 103 SER HA H 4.218 0.030 1 1154 103 103 SER HB2 H 3.839 0.030 2 1155 103 103 SER HB3 H 3.872 0.030 2 1156 103 103 SER C C 171.877 0.300 1 1157 103 103 SER CA C 56.401 0.300 1 1158 103 103 SER CB C 61.566 0.300 1 1159 103 103 SER N N 115.621 0.300 1 1160 104 104 PHE H H 8.302 0.030 1 1161 104 104 PHE HA H 4.709 0.030 1 1162 104 104 PHE HB2 H 2.915 0.030 2 1163 104 104 PHE HB3 H 2.518 0.030 2 1164 104 104 PHE HD1 H 6.594 0.030 1 1165 104 104 PHE HD2 H 6.594 0.030 1 1166 104 104 PHE HE1 H 6.779 0.030 1 1167 104 104 PHE HE2 H 6.779 0.030 1 1168 104 104 PHE HZ H 6.655 0.030 1 1169 104 104 PHE C C 169.449 0.300 1 1170 104 104 PHE CA C 55.583 0.300 1 1171 104 104 PHE CB C 41.136 0.300 1 1172 104 104 PHE CD1 C 129.142 0.300 1 1173 104 104 PHE CD2 C 129.142 0.300 1 1174 104 104 PHE CE1 C 128.823 0.300 1 1175 104 104 PHE CE2 C 128.823 0.300 1 1176 104 104 PHE CZ C 126.571 0.300 1 1177 104 104 PHE N N 128.356 0.300 1 1178 105 105 ARG H H 6.651 0.030 1 1179 105 105 ARG HA H 5.180 0.030 1 1180 105 105 ARG HB2 H 1.351 0.030 2 1181 105 105 ARG HB3 H 1.253 0.030 2 1182 105 105 ARG HD2 H 2.979 0.030 2 1183 105 105 ARG HD3 H 2.889 0.030 2 1184 105 105 ARG HE H 7.008 0.030 1 1185 105 105 ARG HG2 H 1.213 0.030 2 1186 105 105 ARG HG3 H 1.392 0.030 2 1187 105 105 ARG C C 171.742 0.300 1 1188 105 105 ARG CA C 51.907 0.300 1 1189 105 105 ARG CB C 31.433 0.300 1 1190 105 105 ARG CD C 41.424 0.300 1 1191 105 105 ARG CG C 25.415 0.300 1 1192 105 105 ARG N N 123.394 0.300 1 1193 105 105 ARG NE N 83.743 0.300 1 1194 106 106 PHE H H 8.587 0.030 1 1195 106 106 PHE HA H 5.554 0.030 1 1196 106 106 PHE HB2 H 2.147 0.030 2 1197 106 106 PHE HB3 H 2.578 0.030 2 1198 106 106 PHE HD1 H 6.778 0.030 1 1199 106 106 PHE HD2 H 6.778 0.030 1 1200 106 106 PHE HE1 H 7.155 0.030 1 1201 106 106 PHE HE2 H 7.155 0.030 1 1202 106 106 PHE HZ H 6.997 0.030 1 1203 106 106 PHE C C 174.047 0.300 1 1204 106 106 PHE CA C 53.788 0.300 1 1205 106 106 PHE CB C 39.469 0.300 1 1206 106 106 PHE CD1 C 129.123 0.300 1 1207 106 106 PHE CD2 C 129.123 0.300 1 1208 106 106 PHE CE1 C 129.345 0.300 1 1209 106 106 PHE CE2 C 129.345 0.300 1 1210 106 106 PHE CZ C 127.731 0.300 1 1211 106 106 PHE N N 118.749 0.300 1 1212 107 107 LEU H H 8.691 0.030 1 1213 107 107 LEU HA H 4.613 0.030 1 1214 107 107 LEU HB2 H 1.448 0.030 2 1215 107 107 LEU HB3 H 1.291 0.030 2 1216 107 107 LEU HD1 H 0.642 0.030 1 1217 107 107 LEU HD2 H 0.586 0.030 1 1218 107 107 LEU HG H 1.261 0.030 1 1219 107 107 LEU C C 171.812 0.300 1 1220 107 107 LEU CA C 48.823 0.300 1 1221 107 107 LEU CB C 39.369 0.300 1 1222 107 107 LEU CD1 C 22.546 0.300 2 1223 107 107 LEU CD2 C 19.358 0.300 2 1224 107 107 LEU CG C 24.497 0.300 1 1225 107 107 LEU N N 120.318 0.300 1 1226 108 108 PRO HA H 4.261 0.030 1 1227 108 108 PRO HB2 H 1.707 0.030 2 1228 108 108 PRO HB3 H 2.037 0.030 2 1229 108 108 PRO HD2 H 3.539 0.030 2 1230 108 108 PRO HD3 H 3.113 0.030 2 1231 108 108 PRO HG2 H 1.340 0.030 2 1232 108 108 PRO HG3 H 1.705 0.030 2 1233 108 108 PRO C C 174.042 0.300 1 1234 108 108 PRO CA C 59.736 0.300 1 1235 108 108 PRO CB C 30.479 0.300 1 1236 108 108 PRO CD C 47.963 0.300 1 1237 108 108 PRO CG C 24.673 0.300 1 1238 109 109 VAL H H 8.727 0.030 1 1239 109 109 VAL HA H 4.082 0.030 1 1240 109 109 VAL HB H 2.038 0.030 1 1241 109 109 VAL HG1 H 0.877 0.030 1 1242 109 109 VAL HG2 H 0.846 0.030 1 1243 109 109 VAL C C 173.872 0.300 1 1244 109 109 VAL CA C 59.973 0.300 1 1245 109 109 VAL CB C 30.420 0.300 1 1246 109 109 VAL CG1 C 19.498 0.300 2 1247 109 109 VAL CG2 C 18.063 0.300 2 1248 109 109 VAL N N 117.635 0.300 1 1249 110 110 ILE H H 7.943 0.030 1 1250 110 110 ILE HA H 4.118 0.030 1 1251 110 110 ILE HB H 1.773 0.030 1 1252 110 110 ILE HD1 H 0.747 0.030 1 1253 110 110 ILE HG12 H 1.102 0.030 2 1254 110 110 ILE HG13 H 1.371 0.030 2 1255 110 110 ILE HG2 H 0.797 0.030 1 1256 110 110 ILE C C 173.436 0.300 1 1257 110 110 ILE CA C 58.556 0.300 1 1258 110 110 ILE CB C 36.256 0.300 1 1259 110 110 ILE CD1 C 10.462 0.300 1 1260 110 110 ILE CG1 C 24.838 0.300 1 1261 110 110 ILE CG2 C 15.204 0.300 1 1262 110 110 ILE N N 122.882 0.300 1 1263 111 111 CYS H H 8.385 0.030 1 1264 111 111 CYS HA H 4.444 0.030 1 1265 111 111 CYS HB2 H 2.798 0.030 1 1266 111 111 CYS HB3 H 2.798 0.030 1 1267 111 111 CYS C C 171.694 0.300 1 1268 111 111 CYS CA C 55.773 0.300 1 1269 111 111 CYS CB C 25.969 0.300 1 1270 111 111 CYS N N 123.871 0.300 1 1271 112 112 LYS H H 8.370 0.030 1 1272 112 112 LYS HA H 4.253 0.030 1 1273 112 112 LYS HB2 H 1.667 0.030 2 1274 112 112 LYS HB3 H 1.749 0.030 2 1275 112 112 LYS HD2 H 1.585 0.030 1 1276 112 112 LYS HD3 H 1.585 0.030 1 1277 112 112 LYS HE2 H 2.912 0.030 1 1278 112 112 LYS HE3 H 2.912 0.030 1 1279 112 112 LYS HG2 H 1.326 0.030 1 1280 112 112 LYS HG3 H 1.326 0.030 1 1281 112 112 LYS C C 173.681 0.300 1 1282 112 112 LYS CA C 53.983 0.300 1 1283 112 112 LYS CB C 30.946 0.300 1 1284 112 112 LYS CD C 26.794 0.300 1 1285 112 112 LYS CE C 39.963 0.300 1 1286 112 112 LYS CG C 22.351 0.300 1 1287 112 112 LYS N N 124.104 0.300 1 1288 113 113 GLU H H 8.380 0.030 1 1289 113 113 GLU HA H 4.244 0.030 1 1290 113 113 GLU HB2 H 1.847 0.030 2 1291 113 113 GLU HB3 H 2.006 0.030 2 1292 113 113 GLU HG2 H 2.249 0.030 1 1293 113 113 GLU HG3 H 2.249 0.030 1 1294 113 113 GLU C C 172.936 0.300 1 1295 113 113 GLU CA C 54.041 0.300 1 1296 113 113 GLU CB C 27.499 0.300 1 1297 113 113 GLU CG C 32.828 0.300 1 1298 113 113 GLU N N 122.665 0.300 1 1299 114 114 GLU H H 7.929 0.030 1 1300 114 114 GLU HA H 4.069 0.030 1 1301 114 114 GLU HB2 H 1.989 0.030 2 1302 114 114 GLU HB3 H 1.812 0.030 2 1303 114 114 GLU HG2 H 2.185 0.030 1 1304 114 114 GLU HG3 H 2.185 0.030 1 1305 114 114 GLU C C 178.214 0.300 1 1306 114 114 GLU CA C 55.161 0.300 1 1307 114 114 GLU CB C 28.287 0.300 1 1308 114 114 GLU CG C 32.876 0.300 1 1309 114 114 GLU N N 126.075 0.300 1 stop_ save_