data_11085 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the CH domain of human NEDD9 interacting protein with calponin homology and LIM domains ; _BMRB_accession_number 11085 _BMRB_flat_file_name bmr11085.str _Entry_type original _Submission_date 2009-12-28 _Accession_date 2009-12-28 _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 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 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" 596 "13C chemical shifts" 472 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-04 original author . stop_ _Original_release_date 2011-01-04 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the CH domain of human NEDD9 interacting protein with calponin homology and LIM domains ; _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 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 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 'NEDD9 interacting protein with calponin homology and LIM domains' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CH 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 'CH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 116 _Mol_residue_sequence ; GSSGSSGTQEELLRWCQEQT AGYPGVHVSDLSSSWADGLA LCALVYRLQPGLLEPSELQG LGALEATAWALKVAENELGI TPVVSAQAVVAGSDPLGLIA YLSHFHSAFKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLN 10 GLU 11 GLU 12 LEU 13 LEU 14 ARG 15 TRP 16 CYS 17 GLN 18 GLU 19 GLN 20 THR 21 ALA 22 GLY 23 TYR 24 PRO 25 GLY 26 VAL 27 HIS 28 VAL 29 SER 30 ASP 31 LEU 32 SER 33 SER 34 SER 35 TRP 36 ALA 37 ASP 38 GLY 39 LEU 40 ALA 41 LEU 42 CYS 43 ALA 44 LEU 45 VAL 46 TYR 47 ARG 48 LEU 49 GLN 50 PRO 51 GLY 52 LEU 53 LEU 54 GLU 55 PRO 56 SER 57 GLU 58 LEU 59 GLN 60 GLY 61 LEU 62 GLY 63 ALA 64 LEU 65 GLU 66 ALA 67 THR 68 ALA 69 TRP 70 ALA 71 LEU 72 LYS 73 VAL 74 ALA 75 GLU 76 ASN 77 GLU 78 LEU 79 GLY 80 ILE 81 THR 82 PRO 83 VAL 84 VAL 85 SER 86 ALA 87 GLN 88 ALA 89 VAL 90 VAL 91 ALA 92 GLY 93 SER 94 ASP 95 PRO 96 LEU 97 GLY 98 LEU 99 ILE 100 ALA 101 TYR 102 LEU 103 SER 104 HIS 105 PHE 106 HIS 107 SER 108 ALA 109 PHE 110 LYS 111 SER 112 GLY 113 PRO 114 SER 115 SER 116 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 1WYL "Solution Structure Of The Ch Domain Of Human Nedd9 Interacting Protein With Calponin Homology And Lim Domains" 100.00 116 100.00 100.00 1.99e-74 PDB 2DK9 "Solution Structure Of Calponin Homology Domain Of Human Mical-1" 93.10 118 99.07 100.00 8.50e-69 DBJ BAB13949 "unnamed protein product [Homo sapiens]" 94.83 1067 97.27 100.00 5.95e-63 DBJ BAB15124 "unnamed protein product [Homo sapiens]" 94.83 1067 97.27 100.00 6.01e-63 DBJ BAB86289 "CasL interacting molecule MICAL [Homo sapiens]" 94.83 1067 97.27 100.00 6.01e-63 DBJ BAD18727 "FLJ00407 protein [Homo sapiens]" 91.38 591 99.06 100.00 1.54e-63 DBJ BAH12301 "unnamed protein product [Homo sapiens]" 94.83 1086 97.27 100.00 6.94e-63 EMBL CAB59266 "hypothetical protein [Homo sapiens]" 94.83 646 97.27 100.00 7.13e-65 GB AAH09972 "MICAL1 protein [Homo sapiens]" 94.83 981 97.27 100.00 2.88e-63 GB AAH42144 "Microtubule associated monoxygenase, calponin and LIM domain containing 1 [Homo sapiens]" 94.83 1067 97.27 100.00 5.77e-63 GB AAH52983 "Microtubule associated monoxygenase, calponin and LIM domain containing 1 [Homo sapiens]" 94.83 1067 97.27 100.00 5.77e-63 GB AIC63549 "MICAL1, partial [synthetic construct]" 94.83 981 97.27 100.00 2.88e-63 GB EAW48341 "microtubule associated monoxygenase, calponin and LIM domain containing 1, isoform CRA_c [Homo sapiens]" 94.83 981 97.27 100.00 2.77e-63 REF NP_001152763 "protein-methionine sulfoxide oxidase MICAL1 isoform 2 [Homo sapiens]" 94.83 981 97.27 100.00 2.77e-63 REF NP_001273542 "protein-methionine sulfoxide oxidase MICAL1 isoform 3 [Homo sapiens]" 94.83 1086 97.27 100.00 7.60e-63 REF NP_073602 "protein-methionine sulfoxide oxidase MICAL1 isoform 1 [Homo sapiens]" 94.83 1067 97.27 100.00 5.77e-63 REF XP_011905848 "PREDICTED: protein-methionine sulfoxide oxidase MICAL1 isoform X1 [Cercocebus atys]" 88.79 1086 97.09 99.03 1.24e-57 REF XP_011905849 "PREDICTED: protein-methionine sulfoxide oxidase MICAL1 isoform X1 [Cercocebus atys]" 88.79 1086 97.09 99.03 1.24e-57 SP Q8TDZ2 "RecName: Full=Protein-methionine sulfoxide oxidase MICAL1; AltName: Full=Molecule interacting with CasL protein 1; Short=MICAL-" 94.83 1067 97.27 100.00 5.77e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P040315-92 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.22mM CH domain [U-15N,13C], 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.22 mM '[U-100% 13C; U-100% 15N]' TRIS 20 mM '[U-100% 2H]' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM '[U-100% 2H]' 'sodium azide' 0.02 % 'natural abundance' D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.9295 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 _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 1H-15N-separated NOESY' '3D 1H-13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'CH domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.406 0.030 1 2 6 6 SER HB2 H 3.795 0.030 2 3 6 6 SER C C 172.780 0.300 1 4 6 6 SER CA C 56.479 0.300 1 5 6 6 SER CB C 61.210 0.300 1 6 7 7 GLY H H 8.398 0.030 1 7 7 7 GLY HA2 H 3.954 0.030 1 8 7 7 GLY HA3 H 3.954 0.030 1 9 7 7 GLY C C 172.731 0.300 1 10 7 7 GLY CA C 43.302 0.300 1 11 7 7 GLY N N 110.610 0.300 1 12 8 8 THR H H 8.079 0.030 1 13 8 8 THR HA H 4.261 0.030 1 14 8 8 THR HB H 4.361 0.030 1 15 8 8 THR HG2 H 1.159 0.030 1 16 8 8 THR C C 174.002 0.300 1 17 8 8 THR CA C 60.204 0.300 1 18 8 8 THR CB C 67.686 0.300 1 19 8 8 THR CG2 C 19.465 0.300 1 20 8 8 THR N N 112.781 0.300 1 21 9 9 GLN H H 8.644 0.030 1 22 9 9 GLN HA H 3.936 0.030 1 23 9 9 GLN HB2 H 2.028 0.030 2 24 9 9 GLN HB3 H 1.899 0.030 2 25 9 9 GLN HE21 H 7.418 0.030 2 26 9 9 GLN HE22 H 6.671 0.030 2 27 9 9 GLN HG2 H 2.121 0.030 2 28 9 9 GLN HG3 H 2.359 0.030 2 29 9 9 GLN C C 175.317 0.300 1 30 9 9 GLN CA C 56.691 0.300 1 31 9 9 GLN CB C 25.448 0.300 1 32 9 9 GLN CG C 32.359 0.300 1 33 9 9 GLN NE2 N 110.449 0.300 1 34 10 10 GLU H H 8.331 0.030 1 35 10 10 GLU HA H 3.898 0.030 1 36 10 10 GLU HB2 H 1.902 0.030 2 37 10 10 GLU HB3 H 2.008 0.030 2 38 10 10 GLU HG2 H 2.244 0.030 1 39 10 10 GLU HG3 H 2.244 0.030 1 40 10 10 GLU C C 176.525 0.300 1 41 10 10 GLU CA C 57.735 0.300 1 42 10 10 GLU CB C 26.877 0.300 1 43 10 10 GLU CG C 34.255 0.300 1 44 10 10 GLU N N 120.046 0.300 1 45 11 11 GLU H H 7.873 0.030 1 46 11 11 GLU HA H 3.964 0.030 1 47 11 11 GLU HB2 H 2.004 0.030 2 48 11 11 GLU HB3 H 1.906 0.030 2 49 11 11 GLU HG2 H 2.236 0.030 2 50 11 11 GLU HG3 H 2.202 0.030 2 51 11 11 GLU C C 176.400 0.300 1 52 11 11 GLU CA C 56.784 0.300 1 53 11 11 GLU CB C 26.959 0.300 1 54 11 11 GLU CG C 34.172 0.300 1 55 11 11 GLU N N 119.982 0.300 1 56 12 12 LEU H H 7.800 0.030 1 57 12 12 LEU HA H 3.601 0.030 1 58 12 12 LEU HB2 H 1.832 0.030 2 59 12 12 LEU HB3 H 1.385 0.030 2 60 12 12 LEU HD1 H 0.637 0.030 1 61 12 12 LEU HD2 H 0.755 0.030 1 62 12 12 LEU HG H 1.308 0.030 1 63 12 12 LEU C C 176.295 0.300 1 64 12 12 LEU CA C 55.471 0.300 1 65 12 12 LEU CB C 39.213 0.300 1 66 12 12 LEU CD1 C 21.229 0.300 2 67 12 12 LEU CD2 C 24.018 0.300 2 68 12 12 LEU CG C 24.644 0.300 1 69 12 12 LEU N N 121.333 0.300 1 70 13 13 LEU H H 8.283 0.030 1 71 13 13 LEU HA H 3.875 0.030 1 72 13 13 LEU HB2 H 1.909 0.030 2 73 13 13 LEU HB3 H 1.278 0.030 2 74 13 13 LEU HD1 H 0.563 0.030 1 75 13 13 LEU HD2 H 0.748 0.030 1 76 13 13 LEU HG H 1.202 0.030 1 77 13 13 LEU C C 175.516 0.300 1 78 13 13 LEU CA C 56.645 0.300 1 79 13 13 LEU CB C 38.729 0.300 1 80 13 13 LEU CD1 C 21.337 0.300 2 81 13 13 LEU CD2 C 23.879 0.300 2 82 13 13 LEU CG C 24.463 0.300 1 83 13 13 LEU N N 119.572 0.300 1 84 14 14 ARG H H 7.902 0.030 1 85 14 14 ARG HA H 4.153 0.030 1 86 14 14 ARG HB2 H 1.870 0.030 1 87 14 14 ARG HB3 H 1.870 0.030 1 88 14 14 ARG HD2 H 3.176 0.030 1 89 14 14 ARG HD3 H 3.176 0.030 1 90 14 14 ARG HG2 H 1.610 0.030 2 91 14 14 ARG HG3 H 1.715 0.030 2 92 14 14 ARG C C 176.588 0.300 1 93 14 14 ARG CA C 56.897 0.300 1 94 14 14 ARG CB C 27.471 0.300 1 95 14 14 ARG CD C 40.878 0.300 1 96 14 14 ARG CG C 25.040 0.300 1 97 14 14 ARG N N 117.399 0.300 1 98 15 15 TRP H H 8.266 0.030 1 99 15 15 TRP HA H 4.247 0.030 1 100 15 15 TRP HB2 H 3.224 0.030 1 101 15 15 TRP HB3 H 3.224 0.030 1 102 15 15 TRP HD1 H 7.470 0.030 1 103 15 15 TRP HE1 H 10.168 0.030 1 104 15 15 TRP HE3 H 7.643 0.030 1 105 15 15 TRP HH2 H 6.894 0.030 1 106 15 15 TRP HZ2 H 7.231 0.030 1 107 15 15 TRP HZ3 H 6.797 0.030 1 108 15 15 TRP C C 176.446 0.300 1 109 15 15 TRP CA C 60.282 0.300 1 110 15 15 TRP CB C 25.888 0.300 1 111 15 15 TRP CD1 C 125.310 0.300 1 112 15 15 TRP CE3 C 119.032 0.300 1 113 15 15 TRP CH2 C 121.542 0.300 1 114 15 15 TRP CZ2 C 111.870 0.300 1 115 15 15 TRP CZ3 C 118.952 0.300 1 116 15 15 TRP N N 120.221 0.300 1 117 15 15 TRP NE1 N 130.156 0.300 1 118 16 16 CYS H H 8.782 0.030 1 119 16 16 CYS HA H 3.588 0.030 1 120 16 16 CYS HB2 H 3.421 0.030 2 121 16 16 CYS HB3 H 2.728 0.030 2 122 16 16 CYS C C 176.392 0.300 1 123 16 16 CYS CA C 62.855 0.300 1 124 16 16 CYS CB C 25.480 0.300 1 125 16 16 CYS N N 116.596 0.300 1 126 17 17 GLN H H 8.671 0.030 1 127 17 17 GLN HA H 3.502 0.030 1 128 17 17 GLN HB2 H 2.415 0.030 2 129 17 17 GLN HB3 H 1.788 0.030 2 130 17 17 GLN HE21 H 7.285 0.030 2 131 17 17 GLN HE22 H 6.690 0.030 2 132 17 17 GLN HG2 H 2.259 0.030 2 133 17 17 GLN HG3 H 2.439 0.030 2 134 17 17 GLN C C 175.363 0.300 1 135 17 17 GLN CA C 57.375 0.300 1 136 17 17 GLN CB C 25.620 0.300 1 137 17 17 GLN CG C 31.984 0.300 1 138 17 17 GLN N N 120.481 0.300 1 139 17 17 GLN NE2 N 109.410 0.300 1 140 18 18 GLU H H 8.077 0.030 1 141 18 18 GLU HA H 3.845 0.030 1 142 18 18 GLU HB2 H 1.895 0.030 2 143 18 18 GLU HB3 H 2.035 0.030 2 144 18 18 GLU HG2 H 2.319 0.030 2 145 18 18 GLU HG3 H 2.028 0.030 2 146 18 18 GLU C C 177.356 0.300 1 147 18 18 GLU CA C 56.859 0.300 1 148 18 18 GLU CB C 27.074 0.300 1 149 18 18 GLU CG C 34.090 0.300 1 150 18 18 GLU N N 119.366 0.300 1 151 19 19 GLN H H 7.901 0.030 1 152 19 19 GLN HA H 3.744 0.030 1 153 19 19 GLN HB2 H 1.591 0.030 2 154 19 19 GLN HB3 H 1.033 0.030 2 155 19 19 GLN HE21 H 5.618 0.030 2 156 19 19 GLN HE22 H 6.520 0.030 2 157 19 19 GLN HG2 H 0.448 0.030 2 158 19 19 GLN HG3 H 1.117 0.030 2 159 19 19 GLN C C 174.949 0.300 1 160 19 19 GLN CA C 54.303 0.300 1 161 19 19 GLN CB C 26.383 0.300 1 162 19 19 GLN CG C 28.908 0.300 1 163 19 19 GLN N N 113.526 0.300 1 164 19 19 GLN NE2 N 111.094 0.300 1 165 20 20 THR H H 6.945 0.030 1 166 20 20 THR HA H 3.887 0.030 1 167 20 20 THR HB H 4.058 0.030 1 168 20 20 THR HG2 H 0.867 0.030 1 169 20 20 THR C C 171.447 0.300 1 170 20 20 THR CA C 59.415 0.300 1 171 20 20 THR CB C 67.953 0.300 1 172 20 20 THR CG2 C 18.925 0.300 1 173 20 20 THR N N 102.489 0.300 1 174 21 21 ALA H H 6.785 0.030 1 175 21 21 ALA HA H 3.997 0.030 1 176 21 21 ALA HB H 1.293 0.030 1 177 21 21 ALA C C 176.870 0.300 1 178 21 21 ALA CA C 51.456 0.300 1 179 21 21 ALA CB C 16.172 0.300 1 180 21 21 ALA N N 123.574 0.300 1 181 22 22 GLY H H 8.646 0.030 1 182 22 22 GLY HA2 H 4.040 0.030 2 183 22 22 GLY HA3 H 3.564 0.030 2 184 22 22 GLY C C 171.661 0.300 1 185 22 22 GLY CA C 43.073 0.300 1 186 22 22 GLY N N 110.843 0.300 1 187 23 23 TYR H H 7.781 0.030 1 188 23 23 TYR HA H 4.389 0.030 1 189 23 23 TYR HB2 H 2.707 0.030 2 190 23 23 TYR HB3 H 2.564 0.030 2 191 23 23 TYR HD1 H 6.812 0.030 1 192 23 23 TYR HD2 H 6.812 0.030 1 193 23 23 TYR HE1 H 6.402 0.030 1 194 23 23 TYR HE2 H 6.402 0.030 1 195 23 23 TYR C C 171.986 0.300 1 196 23 23 TYR CA C 54.341 0.300 1 197 23 23 TYR CB C 36.691 0.300 1 198 23 23 TYR CD1 C 131.216 0.300 1 199 23 23 TYR CD2 C 131.216 0.300 1 200 23 23 TYR CE1 C 115.586 0.300 1 201 23 23 TYR CE2 C 115.586 0.300 1 202 23 23 TYR N N 125.518 0.300 1 203 24 24 PRO HA H 4.042 0.030 1 204 24 24 PRO HB2 H 1.957 0.030 2 205 24 24 PRO HB3 H 1.615 0.030 2 206 24 24 PRO HD2 H 3.371 0.030 2 207 24 24 PRO HD3 H 2.259 0.030 2 208 24 24 PRO HG2 H 1.595 0.030 1 209 24 24 PRO HG3 H 1.595 0.030 1 210 24 24 PRO C C 174.715 0.300 1 211 24 24 PRO CA C 61.714 0.300 1 212 24 24 PRO CB C 29.032 0.300 1 213 24 24 PRO CD C 47.997 0.300 1 214 24 24 PRO CG C 25.154 0.300 1 215 25 25 GLY H H 8.435 0.030 1 216 25 25 GLY HA2 H 3.978 0.030 2 217 25 25 GLY HA3 H 3.520 0.030 2 218 25 25 GLY C C 171.772 0.300 1 219 25 25 GLY CA C 42.972 0.300 1 220 25 25 GLY N N 109.151 0.300 1 221 26 26 VAL H H 7.347 0.030 1 222 26 26 VAL HA H 3.778 0.030 1 223 26 26 VAL HB H 1.865 0.030 1 224 26 26 VAL HG1 H 0.566 0.030 1 225 26 26 VAL HG2 H 0.574 0.030 1 226 26 26 VAL C C 172.647 0.300 1 227 26 26 VAL CA C 59.468 0.300 1 228 26 26 VAL CB C 31.161 0.300 1 229 26 26 VAL CG1 C 19.005 0.300 2 230 26 26 VAL CG2 C 21.066 0.300 2 231 26 26 VAL N N 119.687 0.300 1 232 27 27 HIS H H 8.731 0.030 1 233 27 27 HIS HA H 4.391 0.030 1 234 27 27 HIS HB2 H 2.864 0.030 1 235 27 27 HIS HB3 H 2.864 0.030 1 236 27 27 HIS HD2 H 6.761 0.030 1 237 27 27 HIS HE1 H 7.823 0.030 1 238 27 27 HIS C C 171.052 0.300 1 239 27 27 HIS CA C 53.432 0.300 1 240 27 27 HIS CB C 27.989 0.300 1 241 27 27 HIS CD2 C 117.865 0.300 1 242 27 27 HIS CE1 C 135.179 0.300 1 243 27 27 HIS N N 126.796 0.300 1 244 28 28 VAL H H 8.700 0.030 1 245 28 28 VAL HA H 3.494 0.030 1 246 28 28 VAL HB H 1.572 0.030 1 247 28 28 VAL HG1 H 0.830 0.030 1 248 28 28 VAL HG2 H 0.072 0.030 1 249 28 28 VAL C C 172.808 0.300 1 250 28 28 VAL CA C 61.290 0.300 1 251 28 28 VAL CB C 29.053 0.300 1 252 28 28 VAL CG1 C 19.967 0.300 2 253 28 28 VAL CG2 C 19.658 0.300 2 254 28 28 VAL N N 125.965 0.300 1 255 29 29 SER H H 8.345 0.030 1 256 29 29 SER HA H 4.348 0.030 1 257 29 29 SER HB2 H 3.861 0.030 2 258 29 29 SER HB3 H 3.429 0.030 2 259 29 29 SER C C 170.332 0.300 1 260 29 29 SER CA C 54.927 0.300 1 261 29 29 SER CB C 62.543 0.300 1 262 29 29 SER N N 121.558 0.300 1 263 30 30 ASP H H 7.882 0.030 1 264 30 30 ASP HA H 4.481 0.030 1 265 30 30 ASP HB2 H 3.049 0.030 2 266 30 30 ASP HB3 H 2.944 0.030 2 267 30 30 ASP C C 172.339 0.300 1 268 30 30 ASP CA C 50.819 0.300 1 269 30 30 ASP CB C 39.496 0.300 1 270 30 30 ASP N N 120.212 0.300 1 271 31 31 LEU H H 8.147 0.030 1 272 31 31 LEU HA H 4.752 0.030 1 273 31 31 LEU HB2 H 1.638 0.030 2 274 31 31 LEU HB3 H 1.483 0.030 2 275 31 31 LEU HD1 H 0.868 0.030 1 276 31 31 LEU HD2 H 0.668 0.030 1 277 31 31 LEU HG H 1.537 0.030 1 278 31 31 LEU C C 172.735 0.300 1 279 31 31 LEU CA C 51.156 0.300 1 280 31 31 LEU CB C 38.583 0.300 1 281 31 31 LEU CD1 C 24.144 0.300 2 282 31 31 LEU CD2 C 20.969 0.300 2 283 31 31 LEU CG C 24.267 0.300 1 284 31 31 LEU N N 115.938 0.300 1 285 32 32 SER H H 8.538 0.030 1 286 32 32 SER HA H 4.486 0.030 1 287 32 32 SER HB2 H 3.831 0.030 2 288 32 32 SER HB3 H 3.732 0.030 2 289 32 32 SER C C 173.823 0.300 1 290 32 32 SER CA C 55.736 0.300 1 291 32 32 SER CB C 60.675 0.300 1 292 32 32 SER N N 110.475 0.300 1 293 33 33 SER H H 8.906 0.030 1 294 33 33 SER HA H 4.337 0.030 1 295 33 33 SER HB2 H 4.000 0.030 1 296 33 33 SER HB3 H 4.000 0.030 1 297 33 33 SER C C 174.883 0.300 1 298 33 33 SER CA C 60.246 0.300 1 299 33 33 SER CB C 60.800 0.300 1 300 33 33 SER N N 126.161 0.300 1 301 34 34 SER H H 10.630 0.030 1 302 34 34 SER HA H 4.318 0.030 1 303 34 34 SER HB2 H 3.724 0.030 2 304 34 34 SER HB3 H 3.690 0.030 2 305 34 34 SER C C 171.224 0.300 1 306 34 34 SER CA C 58.701 0.300 1 307 34 34 SER CB C 61.414 0.300 1 308 34 34 SER N N 120.870 0.300 1 309 35 35 TRP H H 7.840 0.030 1 310 35 35 TRP HA H 4.357 0.030 1 311 35 35 TRP HB2 H 3.388 0.030 2 312 35 35 TRP HB3 H 2.853 0.030 2 313 35 35 TRP HD1 H 6.852 0.030 1 314 35 35 TRP HE1 H 10.188 0.030 1 315 35 35 TRP HE3 H 7.467 0.030 1 316 35 35 TRP HH2 H 6.521 0.030 1 317 35 35 TRP HZ2 H 6.951 0.030 1 318 35 35 TRP HZ3 H 6.425 0.030 1 319 35 35 TRP C C 173.798 0.300 1 320 35 35 TRP CA C 54.564 0.300 1 321 35 35 TRP CB C 26.992 0.300 1 322 35 35 TRP CD1 C 125.151 0.300 1 323 35 35 TRP CE3 C 118.448 0.300 1 324 35 35 TRP CH2 C 119.555 0.300 1 325 35 35 TRP CZ2 C 111.878 0.300 1 326 35 35 TRP CZ3 C 119.574 0.300 1 327 35 35 TRP N N 119.677 0.300 1 328 35 35 TRP NE1 N 127.272 0.300 1 329 36 36 ALA H H 7.120 0.030 1 330 36 36 ALA HA H 4.262 0.030 1 331 36 36 ALA HB H 1.541 0.030 1 332 36 36 ALA C C 174.712 0.300 1 333 36 36 ALA CA C 52.045 0.300 1 334 36 36 ALA CB C 17.439 0.300 1 335 36 36 ALA N N 120.455 0.300 1 336 37 37 ASP H H 7.515 0.030 1 337 37 37 ASP HA H 4.752 0.030 1 338 37 37 ASP HB2 H 2.449 0.030 2 339 37 37 ASP HB3 H 3.114 0.030 2 340 37 37 ASP C C 174.258 0.300 1 341 37 37 ASP CA C 50.041 0.300 1 342 37 37 ASP CB C 38.005 0.300 1 343 37 37 ASP N N 112.275 0.300 1 344 38 38 GLY H H 7.303 0.030 1 345 38 38 GLY HA2 H 4.161 0.030 2 346 38 38 GLY HA3 H 3.749 0.030 2 347 38 38 GLY C C 172.609 0.300 1 348 38 38 GLY CA C 45.654 0.300 1 349 38 38 GLY N N 106.016 0.300 1 350 39 39 LEU H H 7.560 0.030 1 351 39 39 LEU HA H 3.820 0.030 1 352 39 39 LEU HB2 H 1.670 0.030 2 353 39 39 LEU HB3 H 1.123 0.030 2 354 39 39 LEU HD1 H 0.801 0.030 1 355 39 39 LEU HD2 H 0.711 0.030 1 356 39 39 LEU HG H 1.405 0.030 1 357 39 39 LEU C C 176.562 0.300 1 358 39 39 LEU CA C 55.799 0.300 1 359 39 39 LEU CB C 38.995 0.300 1 360 39 39 LEU CD1 C 22.797 0.300 2 361 39 39 LEU CD2 C 19.980 0.300 2 362 39 39 LEU CG C 24.586 0.300 1 363 39 39 LEU N N 119.439 0.300 1 364 40 40 ALA H H 8.721 0.030 1 365 40 40 ALA HA H 3.484 0.030 1 366 40 40 ALA HB H 0.265 0.030 1 367 40 40 ALA C C 176.524 0.300 1 368 40 40 ALA CA C 53.154 0.300 1 369 40 40 ALA CB C 15.297 0.300 1 370 40 40 ALA N N 121.280 0.300 1 371 41 41 LEU H H 8.443 0.030 1 372 41 41 LEU HA H 4.066 0.030 1 373 41 41 LEU HB2 H 1.959 0.030 2 374 41 41 LEU HB3 H 1.470 0.030 2 375 41 41 LEU HD1 H 1.085 0.030 1 376 41 41 LEU HD2 H 0.940 0.030 1 377 41 41 LEU HG H 2.101 0.030 1 378 41 41 LEU C C 176.629 0.300 1 379 41 41 LEU CA C 55.910 0.300 1 380 41 41 LEU CB C 40.182 0.300 1 381 41 41 LEU CD1 C 23.870 0.300 2 382 41 41 LEU CD2 C 22.137 0.300 2 383 41 41 LEU CG C 25.546 0.300 1 384 41 41 LEU N N 118.211 0.300 1 385 42 42 CYS H H 7.498 0.030 1 386 42 42 CYS HA H 3.995 0.030 1 387 42 42 CYS HB2 H 3.137 0.030 2 388 42 42 CYS HB3 H 2.420 0.030 2 389 42 42 CYS C C 173.466 0.300 1 390 42 42 CYS CA C 62.671 0.300 1 391 42 42 CYS CB C 24.105 0.300 1 392 42 42 CYS N N 115.802 0.300 1 393 43 43 ALA H H 8.210 0.030 1 394 43 43 ALA HA H 3.096 0.030 1 395 43 43 ALA HB H 0.702 0.030 1 396 43 43 ALA C C 176.613 0.300 1 397 43 43 ALA CA C 52.588 0.300 1 398 43 43 ALA CB C 16.136 0.300 1 399 43 43 ALA N N 121.261 0.300 1 400 44 44 LEU H H 7.850 0.030 1 401 44 44 LEU HA H 3.487 0.030 1 402 44 44 LEU HB2 H 1.591 0.030 2 403 44 44 LEU HB3 H 1.301 0.030 2 404 44 44 LEU HD1 H 0.416 0.030 1 405 44 44 LEU HD2 H 0.125 0.030 1 406 44 44 LEU HG H 1.135 0.030 1 407 44 44 LEU C C 175.293 0.300 1 408 44 44 LEU CA C 55.683 0.300 1 409 44 44 LEU CB C 40.231 0.300 1 410 44 44 LEU CD1 C 21.898 0.300 2 411 44 44 LEU CD2 C 22.591 0.300 2 412 44 44 LEU CG C 24.033 0.300 1 413 44 44 LEU N N 118.456 0.300 1 414 45 45 VAL H H 7.594 0.030 1 415 45 45 VAL HA H 3.334 0.030 1 416 45 45 VAL HB H 2.040 0.030 1 417 45 45 VAL HG1 H 0.718 0.030 1 418 45 45 VAL HG2 H 1.032 0.030 1 419 45 45 VAL C C 174.610 0.300 1 420 45 45 VAL CA C 64.616 0.300 1 421 45 45 VAL CB C 29.225 0.300 1 422 45 45 VAL CG1 C 19.694 0.300 2 423 45 45 VAL CG2 C 20.308 0.300 2 424 45 45 VAL N N 114.508 0.300 1 425 46 46 TYR H H 8.229 0.030 1 426 46 46 TYR HA H 4.111 0.030 1 427 46 46 TYR HB2 H 3.027 0.030 1 428 46 46 TYR HB3 H 3.027 0.030 1 429 46 46 TYR HD1 H 7.193 0.030 1 430 46 46 TYR HD2 H 7.193 0.030 1 431 46 46 TYR HE1 H 6.778 0.030 1 432 46 46 TYR HE2 H 6.778 0.030 1 433 46 46 TYR C C 175.546 0.300 1 434 46 46 TYR CA C 58.980 0.300 1 435 46 46 TYR CB C 36.109 0.300 1 436 46 46 TYR CD1 C 131.194 0.300 1 437 46 46 TYR CD2 C 131.194 0.300 1 438 46 46 TYR CE1 C 115.592 0.300 1 439 46 46 TYR CE2 C 115.592 0.300 1 440 46 46 TYR N N 117.164 0.300 1 441 47 47 ARG H H 7.954 0.030 1 442 47 47 ARG HA H 3.914 0.030 1 443 47 47 ARG HB2 H 2.014 0.030 2 444 47 47 ARG HB3 H 1.761 0.030 2 445 47 47 ARG HD2 H 3.215 0.030 1 446 47 47 ARG HD3 H 3.215 0.030 1 447 47 47 ARG HE H 7.344 0.030 1 448 47 47 ARG HG2 H 1.532 0.030 2 449 47 47 ARG HG3 H 1.806 0.030 2 450 47 47 ARG C C 176.085 0.300 1 451 47 47 ARG CA C 54.679 0.300 1 452 47 47 ARG CB C 27.042 0.300 1 453 47 47 ARG CD C 40.373 0.300 1 454 47 47 ARG CG C 25.018 0.300 1 455 47 47 ARG N N 117.270 0.300 1 456 47 47 ARG NE N 85.021 0.300 1 457 48 48 LEU H H 7.416 0.030 1 458 48 48 LEU HA H 4.013 0.030 1 459 48 48 LEU HB2 H 1.483 0.030 2 460 48 48 LEU HB3 H 0.899 0.030 2 461 48 48 LEU HD1 H 0.589 0.030 1 462 48 48 LEU HD2 H 0.614 0.030 1 463 48 48 LEU HG H 1.707 0.030 1 464 48 48 LEU C C 174.579 0.300 1 465 48 48 LEU CA C 53.596 0.300 1 466 48 48 LEU CB C 39.777 0.300 1 467 48 48 LEU CD1 C 24.115 0.300 2 468 48 48 LEU CD2 C 19.745 0.300 2 469 48 48 LEU CG C 24.257 0.300 1 470 48 48 LEU N N 117.031 0.300 1 471 49 49 GLN H H 7.790 0.030 1 472 49 49 GLN HA H 4.699 0.030 1 473 49 49 GLN HB2 H 2.065 0.030 2 474 49 49 GLN HB3 H 1.642 0.030 2 475 49 49 GLN HE21 H 7.353 0.030 2 476 49 49 GLN HE22 H 6.584 0.030 2 477 49 49 GLN HG2 H 2.037 0.030 2 478 49 49 GLN HG3 H 2.084 0.030 2 479 49 49 GLN C C 169.047 0.300 1 480 49 49 GLN CA C 50.572 0.300 1 481 49 49 GLN CB C 27.367 0.300 1 482 49 49 GLN CG C 31.937 0.300 1 483 49 49 GLN N N 119.393 0.300 1 484 49 49 GLN NE2 N 111.131 0.300 1 485 50 50 PRO HA H 4.318 0.030 1 486 50 50 PRO HB2 H 2.075 0.030 2 487 50 50 PRO HB3 H 1.782 0.030 2 488 50 50 PRO HD2 H 3.523 0.030 2 489 50 50 PRO HD3 H 3.370 0.030 2 490 50 50 PRO HG2 H 1.867 0.030 1 491 50 50 PRO HG3 H 1.867 0.030 1 492 50 50 PRO C C 175.692 0.300 1 493 50 50 PRO CA C 61.573 0.300 1 494 50 50 PRO CB C 29.556 0.300 1 495 50 50 PRO CD C 47.977 0.300 1 496 50 50 PRO CG C 24.857 0.300 1 497 51 51 GLY H H 8.329 0.030 1 498 51 51 GLY HA2 H 3.898 0.030 2 499 51 51 GLY HA3 H 3.830 0.030 2 500 51 51 GLY C C 172.504 0.300 1 501 51 51 GLY CA C 43.126 0.300 1 502 51 51 GLY N N 108.269 0.300 1 503 52 52 LEU H H 7.948 0.030 1 504 52 52 LEU HA H 4.371 0.030 1 505 52 52 LEU HB2 H 1.830 0.030 2 506 52 52 LEU HB3 H 1.633 0.030 2 507 52 52 LEU HD1 H 0.769 0.030 1 508 52 52 LEU HD2 H 0.759 0.030 1 509 52 52 LEU HG H 1.635 0.030 1 510 52 52 LEU C C 174.099 0.300 1 511 52 52 LEU CA C 52.818 0.300 1 512 52 52 LEU CB C 40.684 0.300 1 513 52 52 LEU CD1 C 23.374 0.300 2 514 52 52 LEU CD2 C 21.230 0.300 2 515 52 52 LEU CG C 24.391 0.300 1 516 52 52 LEU N N 121.007 0.300 1 517 53 53 LEU H H 7.911 0.030 1 518 53 53 LEU HA H 4.283 0.030 1 519 53 53 LEU HB2 H 1.441 0.030 2 520 53 53 LEU HB3 H 1.512 0.030 2 521 53 53 LEU HD1 H 0.702 0.030 1 522 53 53 LEU HD2 H 0.652 0.030 1 523 53 53 LEU HG H 1.487 0.030 1 524 53 53 LEU C C 173.510 0.300 1 525 53 53 LEU CA C 52.225 0.300 1 526 53 53 LEU CB C 40.560 0.300 1 527 53 53 LEU CD1 C 22.772 0.300 2 528 53 53 LEU CD2 C 21.771 0.300 2 529 53 53 LEU CG C 24.633 0.300 1 530 53 53 LEU N N 120.156 0.300 1 531 54 54 GLU H H 8.456 0.030 1 532 54 54 GLU HA H 4.262 0.030 1 533 54 54 GLU HB2 H 1.823 0.030 2 534 54 54 GLU HB3 H 1.709 0.030 2 535 54 54 GLU HG2 H 2.034 0.030 1 536 54 54 GLU HG3 H 2.034 0.030 1 537 54 54 GLU C C 173.030 0.300 1 538 54 54 GLU CA C 51.790 0.300 1 539 54 54 GLU CB C 27.432 0.300 1 540 54 54 GLU CG C 33.656 0.300 1 541 54 54 GLU N N 123.488 0.300 1 542 55 55 PRO HA H 4.047 0.030 1 543 55 55 PRO HB2 H 1.862 0.030 2 544 55 55 PRO HB3 H 1.561 0.030 2 545 55 55 PRO HD2 H 3.336 0.030 2 546 55 55 PRO HD3 H 3.558 0.030 2 547 55 55 PRO HG2 H 1.325 0.030 2 548 55 55 PRO HG3 H 1.474 0.030 2 549 55 55 PRO C C 176.265 0.300 1 550 55 55 PRO CA C 61.997 0.300 1 551 55 55 PRO CB C 29.314 0.300 1 552 55 55 PRO CD C 48.119 0.300 1 553 55 55 PRO CG C 24.775 0.300 1 554 56 56 SER H H 8.402 0.030 1 555 56 56 SER HA H 3.981 0.030 1 556 56 56 SER HB2 H 3.755 0.030 1 557 56 56 SER HB3 H 3.755 0.030 1 558 56 56 SER C C 173.909 0.300 1 559 56 56 SER CA C 58.425 0.300 1 560 56 56 SER CB C 60.094 0.300 1 561 56 56 SER N N 115.065 0.300 1 562 57 57 GLU H H 8.224 0.030 1 563 57 57 GLU HA H 4.046 0.030 1 564 57 57 GLU HB2 H 1.904 0.030 2 565 57 57 GLU HB3 H 2.055 0.030 2 566 57 57 GLU HG2 H 2.158 0.030 2 567 57 57 GLU HG3 H 2.084 0.030 2 568 57 57 GLU C C 175.029 0.300 1 569 57 57 GLU CA C 55.312 0.300 1 570 57 57 GLU CB C 26.877 0.300 1 571 57 57 GLU CG C 34.363 0.300 1 572 57 57 GLU N N 120.240 0.300 1 573 58 58 LEU H H 7.195 0.030 1 574 58 58 LEU HA H 3.905 0.030 1 575 58 58 LEU HB2 H 1.402 0.030 1 576 58 58 LEU HB3 H 1.402 0.030 1 577 58 58 LEU HD1 H 0.241 0.030 1 578 58 58 LEU HD2 H 0.488 0.030 1 579 58 58 LEU HG H 1.247 0.030 1 580 58 58 LEU C C 175.721 0.300 1 581 58 58 LEU CA C 53.455 0.300 1 582 58 58 LEU CB C 39.612 0.300 1 583 58 58 LEU CD1 C 20.951 0.300 2 584 58 58 LEU CD2 C 22.785 0.300 2 585 58 58 LEU CG C 24.607 0.300 1 586 58 58 LEU N N 118.866 0.300 1 587 59 59 GLN H H 7.412 0.030 1 588 59 59 GLN HA H 3.873 0.030 1 589 59 59 GLN HB2 H 1.920 0.030 1 590 59 59 GLN HB3 H 1.920 0.030 1 591 59 59 GLN HE21 H 7.408 0.030 2 592 59 59 GLN HE22 H 6.679 0.030 2 593 59 59 GLN HG2 H 2.256 0.030 1 594 59 59 GLN HG3 H 2.256 0.030 1 595 59 59 GLN C C 174.502 0.300 1 596 59 59 GLN CA C 55.418 0.300 1 597 59 59 GLN CB C 25.929 0.300 1 598 59 59 GLN CG C 31.445 0.300 1 599 59 59 GLN N N 116.459 0.300 1 600 59 59 GLN NE2 N 111.682 0.300 1 601 60 60 GLY H H 8.193 0.030 1 602 60 60 GLY HA2 H 3.899 0.030 2 603 60 60 GLY HA3 H 3.756 0.030 2 604 60 60 GLY C C 172.282 0.300 1 605 60 60 GLY CA C 42.790 0.300 1 606 60 60 GLY N N 108.350 0.300 1 607 61 61 LEU H H 7.322 0.030 1 608 61 61 LEU HA H 4.240 0.030 1 609 61 61 LEU HB2 H 1.721 0.030 2 610 61 61 LEU HB3 H 1.428 0.030 2 611 61 61 LEU HD1 H 0.658 0.030 1 612 61 61 LEU HD2 H 0.662 0.030 1 613 61 61 LEU HG H 1.612 0.030 1 614 61 61 LEU C C 175.897 0.300 1 615 61 61 LEU CA C 52.730 0.300 1 616 61 61 LEU CB C 40.548 0.300 1 617 61 61 LEU CD1 C 23.071 0.300 2 618 61 61 LEU CD2 C 20.080 0.300 2 619 61 61 LEU CG C 24.306 0.300 1 620 61 61 LEU N N 120.215 0.300 1 621 62 62 GLY H H 8.322 0.030 1 622 62 62 GLY HA2 H 4.062 0.030 2 623 62 62 GLY HA3 H 3.987 0.030 2 624 62 62 GLY C C 170.906 0.300 1 625 62 62 GLY CA C 41.852 0.300 1 626 62 62 GLY N N 108.527 0.300 1 627 63 63 ALA H H 8.215 0.030 1 628 63 63 ALA HA H 4.021 0.030 1 629 63 63 ALA HB H 1.474 0.030 1 630 63 63 ALA C C 178.516 0.300 1 631 63 63 ALA CA C 53.526 0.300 1 632 63 63 ALA CB C 17.645 0.300 1 633 63 63 ALA N N 121.446 0.300 1 634 64 64 LEU H H 8.617 0.030 1 635 64 64 LEU HA H 3.859 0.030 1 636 64 64 LEU HB2 H 1.613 0.030 2 637 64 64 LEU HB3 H 1.548 0.030 2 638 64 64 LEU HD1 H 0.803 0.030 1 639 64 64 LEU HD2 H 0.819 0.030 1 640 64 64 LEU HG H 1.544 0.030 1 641 64 64 LEU C C 176.150 0.300 1 642 64 64 LEU CA C 56.178 0.300 1 643 64 64 LEU CB C 39.220 0.300 1 644 64 64 LEU CD1 C 21.646 0.300 2 645 64 64 LEU CD2 C 22.551 0.300 2 646 64 64 LEU CG C 24.732 0.300 1 647 64 64 LEU N N 119.709 0.300 1 648 65 65 GLU H H 8.229 0.030 1 649 65 65 GLU HA H 3.961 0.030 1 650 65 65 GLU HB2 H 2.054 0.030 2 651 65 65 GLU HB3 H 1.903 0.030 2 652 65 65 GLU HG2 H 2.379 0.030 2 653 65 65 GLU HG3 H 2.236 0.030 2 654 65 65 GLU C C 177.567 0.300 1 655 65 65 GLU CA C 57.823 0.300 1 656 65 65 GLU CB C 27.279 0.300 1 657 65 65 GLU CG C 35.054 0.300 1 658 65 65 GLU N N 118.243 0.300 1 659 66 66 ALA H H 8.973 0.030 1 660 66 66 ALA HA H 3.985 0.030 1 661 66 66 ALA HB H 1.375 0.030 1 662 66 66 ALA C C 176.231 0.300 1 663 66 66 ALA CA C 53.437 0.300 1 664 66 66 ALA CB C 15.419 0.300 1 665 66 66 ALA N N 123.718 0.300 1 666 67 67 THR H H 7.929 0.030 1 667 67 67 THR HA H 4.178 0.030 1 668 67 67 THR HB H 3.753 0.030 1 669 67 67 THR HG2 H 1.204 0.030 1 670 67 67 THR C C 173.666 0.300 1 671 67 67 THR CA C 65.793 0.300 1 672 67 67 THR CB C 65.765 0.300 1 673 67 67 THR CG2 C 19.747 0.300 1 674 67 67 THR N N 113.966 0.300 1 675 68 68 ALA H H 8.593 0.030 1 676 68 68 ALA HA H 3.901 0.030 1 677 68 68 ALA HB H 1.416 0.030 1 678 68 68 ALA C C 178.079 0.300 1 679 68 68 ALA CA C 53.242 0.300 1 680 68 68 ALA CB C 15.913 0.300 1 681 68 68 ALA N N 121.146 0.300 1 682 69 69 TRP H H 8.108 0.030 1 683 69 69 TRP HA H 4.186 0.030 1 684 69 69 TRP HB2 H 3.253 0.030 2 685 69 69 TRP HB3 H 3.519 0.030 2 686 69 69 TRP HD1 H 7.127 0.030 1 687 69 69 TRP HE1 H 10.167 0.030 1 688 69 69 TRP HE3 H 7.642 0.030 1 689 69 69 TRP HH2 H 7.042 0.030 1 690 69 69 TRP HZ2 H 7.380 0.030 1 691 69 69 TRP HZ3 H 6.909 0.030 1 692 69 69 TRP C C 174.901 0.300 1 693 69 69 TRP CA C 58.920 0.300 1 694 69 69 TRP CB C 26.176 0.300 1 695 69 69 TRP CD1 C 123.637 0.300 1 696 69 69 TRP CE3 C 119.034 0.300 1 697 69 69 TRP CH2 C 121.938 0.300 1 698 69 69 TRP CZ2 C 112.066 0.300 1 699 69 69 TRP CZ3 C 118.872 0.300 1 700 69 69 TRP N N 120.027 0.300 1 701 69 69 TRP NE1 N 128.095 0.300 1 702 70 70 ALA H H 8.114 0.030 1 703 70 70 ALA HA H 3.664 0.030 1 704 70 70 ALA HB H 1.666 0.030 1 705 70 70 ALA C C 177.279 0.300 1 706 70 70 ALA CA C 53.684 0.300 1 707 70 70 ALA CB C 16.413 0.300 1 708 70 70 ALA N N 121.065 0.300 1 709 71 71 LEU H H 8.377 0.030 1 710 71 71 LEU HA H 4.089 0.030 1 711 71 71 LEU HB2 H 1.742 0.030 2 712 71 71 LEU HB3 H 1.427 0.030 2 713 71 71 LEU HD1 H 0.728 0.030 1 714 71 71 LEU HD2 H 0.579 0.030 1 715 71 71 LEU HG H 1.828 0.030 1 716 71 71 LEU C C 179.366 0.300 1 717 71 71 LEU CA C 55.627 0.300 1 718 71 71 LEU CB C 39.874 0.300 1 719 71 71 LEU CD1 C 22.858 0.300 2 720 71 71 LEU CD2 C 21.807 0.300 2 721 71 71 LEU CG C 25.669 0.300 1 722 71 71 LEU N N 115.492 0.300 1 723 72 72 LYS H H 7.801 0.030 1 724 72 72 LYS HA H 4.160 0.030 1 725 72 72 LYS HB2 H 1.884 0.030 2 726 72 72 LYS HB3 H 1.817 0.030 2 727 72 72 LYS HD2 H 1.586 0.030 1 728 72 72 LYS HD3 H 1.586 0.030 1 729 72 72 LYS HE2 H 2.824 0.030 1 730 72 72 LYS HE3 H 2.824 0.030 1 731 72 72 LYS HG2 H 1.223 0.030 2 732 72 72 LYS HG3 H 1.393 0.030 2 733 72 72 LYS C C 176.119 0.300 1 734 72 72 LYS CA C 56.817 0.300 1 735 72 72 LYS CB C 29.646 0.300 1 736 72 72 LYS CD C 26.658 0.300 1 737 72 72 LYS CE C 39.571 0.300 1 738 72 72 LYS CG C 22.059 0.300 1 739 72 72 LYS N N 121.913 0.300 1 740 73 73 VAL H H 8.314 0.030 1 741 73 73 VAL HA H 3.530 0.030 1 742 73 73 VAL HB H 1.459 0.030 1 743 73 73 VAL HG1 H 0.519 0.030 1 744 73 73 VAL HG2 H 0.220 0.030 1 745 73 73 VAL C C 176.706 0.300 1 746 73 73 VAL CA C 63.985 0.300 1 747 73 73 VAL CB C 29.291 0.300 1 748 73 73 VAL CG1 C 19.692 0.300 2 749 73 73 VAL CG2 C 19.273 0.300 2 750 73 73 VAL N N 120.352 0.300 1 751 74 74 ALA H H 8.849 0.030 1 752 74 74 ALA HA H 3.859 0.030 1 753 74 74 ALA HB H 1.561 0.030 1 754 74 74 ALA C C 177.417 0.300 1 755 74 74 ALA CA C 52.959 0.300 1 756 74 74 ALA CB C 16.367 0.300 1 757 74 74 ALA N N 121.287 0.300 1 758 75 75 GLU H H 7.434 0.030 1 759 75 75 GLU HA H 3.940 0.030 1 760 75 75 GLU HB2 H 2.114 0.030 2 761 75 75 GLU HB3 H 1.857 0.030 2 762 75 75 GLU HG2 H 1.933 0.030 2 763 75 75 GLU HG3 H 2.030 0.030 2 764 75 75 GLU C C 175.950 0.300 1 765 75 75 GLU CA C 57.126 0.300 1 766 75 75 GLU CB C 27.892 0.300 1 767 75 75 GLU CG C 33.513 0.300 1 768 75 75 GLU N N 117.838 0.300 1 769 76 76 ASN H H 8.438 0.030 1 770 76 76 ASN HA H 4.282 0.030 1 771 76 76 ASN HB2 H 2.717 0.030 1 772 76 76 ASN HB3 H 2.717 0.030 1 773 76 76 ASN HD21 H 7.538 0.030 2 774 76 76 ASN HD22 H 6.857 0.030 2 775 76 76 ASN C C 174.525 0.300 1 776 76 76 ASN CA C 53.808 0.300 1 777 76 76 ASN CB C 36.779 0.300 1 778 76 76 ASN N N 116.514 0.300 1 779 76 76 ASN ND2 N 111.626 0.300 1 780 77 77 GLU H H 8.877 0.030 1 781 77 77 GLU HA H 4.538 0.030 1 782 77 77 GLU HB2 H 2.024 0.030 2 783 77 77 GLU HB3 H 1.743 0.030 2 784 77 77 GLU HG2 H 2.175 0.030 1 785 77 77 GLU HG3 H 2.175 0.030 1 786 77 77 GLU C C 175.473 0.300 1 787 77 77 GLU CA C 54.180 0.300 1 788 77 77 GLU CB C 27.487 0.300 1 789 77 77 GLU CG C 33.430 0.300 1 790 77 77 GLU N N 113.762 0.300 1 791 78 78 LEU H H 6.750 0.030 1 792 78 78 LEU HA H 4.659 0.030 1 793 78 78 LEU HB2 H 2.221 0.030 2 794 78 78 LEU HB3 H 1.749 0.030 2 795 78 78 LEU HD1 H 0.825 0.030 1 796 78 78 LEU HD2 H 0.756 0.030 1 797 78 78 LEU HG H 1.450 0.030 1 798 78 78 LEU C C 174.607 0.300 1 799 78 78 LEU CA C 52.252 0.300 1 800 78 78 LEU CB C 40.303 0.300 1 801 78 78 LEU CD1 C 24.302 0.300 2 802 78 78 LEU CD2 C 21.253 0.300 2 803 78 78 LEU CG C 25.378 0.300 1 804 78 78 LEU N N 114.217 0.300 1 805 79 79 GLY H H 7.027 0.030 1 806 79 79 GLY HA2 H 3.773 0.030 2 807 79 79 GLY HA3 H 3.850 0.030 2 808 79 79 GLY C C 172.010 0.300 1 809 79 79 GLY CA C 44.147 0.300 1 810 79 79 GLY N N 106.869 0.300 1 811 80 80 ILE H H 7.735 0.030 1 812 80 80 ILE HA H 3.859 0.030 1 813 80 80 ILE HB H 1.210 0.030 1 814 80 80 ILE HD1 H -0.077 0.030 1 815 80 80 ILE HG12 H 0.730 0.030 2 816 80 80 ILE HG13 H 0.371 0.030 2 817 80 80 ILE HG2 H 0.098 0.030 1 818 80 80 ILE C C 173.036 0.300 1 819 80 80 ILE CA C 56.214 0.300 1 820 80 80 ILE CB C 34.125 0.300 1 821 80 80 ILE CD1 C 7.325 0.300 1 822 80 80 ILE CG1 C 22.879 0.300 1 823 80 80 ILE CG2 C 14.638 0.300 1 824 80 80 ILE N N 121.160 0.300 1 825 81 81 THR H H 8.081 0.030 1 826 81 81 THR HA H 4.116 0.030 1 827 81 81 THR HB H 3.881 0.030 1 828 81 81 THR HG2 H 1.109 0.030 1 829 81 81 THR C C 170.553 0.300 1 830 81 81 THR CA C 58.955 0.300 1 831 81 81 THR CB C 67.256 0.300 1 832 81 81 THR CG2 C 18.955 0.300 1 833 81 81 THR N N 126.378 0.300 1 834 82 82 PRO HA H 4.443 0.030 1 835 82 82 PRO HB2 H 1.966 0.030 2 836 82 82 PRO HB3 H 1.857 0.030 2 837 82 82 PRO HD2 H 3.609 0.030 1 838 82 82 PRO HD3 H 3.609 0.030 1 839 82 82 PRO HG2 H 2.002 0.030 2 840 82 82 PRO C C 174.396 0.300 1 841 82 82 PRO CA C 60.936 0.300 1 842 82 82 PRO CB C 28.407 0.300 1 843 82 82 PRO CD C 48.949 0.300 1 844 82 82 PRO CG C 25.434 0.300 1 845 83 83 VAL H H 7.095 0.030 1 846 83 83 VAL HA H 4.026 0.030 1 847 83 83 VAL HB H 2.034 0.030 1 848 83 83 VAL HG1 H 0.902 0.030 1 849 83 83 VAL HG2 H 0.877 0.030 1 850 83 83 VAL C C 171.741 0.300 1 851 83 83 VAL CA C 60.158 0.300 1 852 83 83 VAL CB C 30.678 0.300 1 853 83 83 VAL CG1 C 17.686 0.300 2 854 83 83 VAL CG2 C 19.252 0.300 2 855 83 83 VAL N N 118.770 0.300 1 856 84 84 VAL H H 6.832 0.030 1 857 84 84 VAL HA H 4.415 0.030 1 858 84 84 VAL HB H 1.650 0.030 1 859 84 84 VAL HG1 H 0.613 0.030 1 860 84 84 VAL HG2 H 0.444 0.030 1 861 84 84 VAL C C 170.912 0.300 1 862 84 84 VAL CA C 55.624 0.300 1 863 84 84 VAL CB C 32.442 0.300 1 864 84 84 VAL CG1 C 17.642 0.300 2 865 84 84 VAL CG2 C 18.446 0.300 2 866 84 84 VAL N N 114.186 0.300 1 867 85 85 SER H H 8.082 0.030 1 868 85 85 SER HA H 4.327 0.030 1 869 85 85 SER HB2 H 4.134 0.030 2 870 85 85 SER HB3 H 3.800 0.030 2 871 85 85 SER C C 172.245 0.300 1 872 85 85 SER CA C 54.144 0.300 1 873 85 85 SER CB C 62.981 0.300 1 874 85 85 SER N N 118.284 0.300 1 875 86 86 ALA H H 8.802 0.030 1 876 86 86 ALA HA H 3.820 0.030 1 877 86 86 ALA HB H 1.294 0.030 1 878 86 86 ALA C C 176.675 0.300 1 879 86 86 ALA CA C 53.031 0.300 1 880 86 86 ALA CB C 15.460 0.300 1 881 86 86 ALA N N 123.273 0.300 1 882 87 87 GLN H H 8.374 0.030 1 883 87 87 GLN HA H 3.731 0.030 1 884 87 87 GLN HB2 H 1.973 0.030 2 885 87 87 GLN HB3 H 1.817 0.030 2 886 87 87 GLN HE21 H 7.327 0.030 2 887 87 87 GLN HE22 H 6.816 0.030 2 888 87 87 GLN HG2 H 2.386 0.030 2 889 87 87 GLN HG3 H 2.300 0.030 2 890 87 87 GLN C C 175.526 0.300 1 891 87 87 GLN CA C 56.621 0.300 1 892 87 87 GLN CB C 25.434 0.300 1 893 87 87 GLN CG C 31.534 0.300 1 894 87 87 GLN N N 114.115 0.300 1 895 87 87 GLN NE2 N 111.301 0.300 1 896 88 88 ALA H H 7.669 0.030 1 897 88 88 ALA HA H 4.182 0.030 1 898 88 88 ALA HB H 1.325 0.030 1 899 88 88 ALA C C 179.284 0.300 1 900 88 88 ALA CA C 52.177 0.300 1 901 88 88 ALA CB C 16.861 0.300 1 902 88 88 ALA N N 121.134 0.300 1 903 89 89 VAL H H 7.809 0.030 1 904 89 89 VAL HA H 3.313 0.030 1 905 89 89 VAL HB H 2.292 0.030 1 906 89 89 VAL HG1 H 0.956 0.030 1 907 89 89 VAL HG2 H 0.853 0.030 1 908 89 89 VAL C C 175.982 0.300 1 909 89 89 VAL CA C 65.381 0.300 1 910 89 89 VAL CB C 29.680 0.300 1 911 89 89 VAL CG1 C 19.748 0.300 2 912 89 89 VAL CG2 C 21.235 0.300 2 913 89 89 VAL N N 120.396 0.300 1 914 90 90 VAL H H 7.546 0.030 1 915 90 90 VAL HA H 4.349 0.030 1 916 90 90 VAL HB H 1.994 0.030 1 917 90 90 VAL HG1 H 0.885 0.030 1 918 90 90 VAL HG2 H 0.948 0.030 1 919 90 90 VAL C C 175.865 0.300 1 920 90 90 VAL CA C 62.369 0.300 1 921 90 90 VAL CB C 29.867 0.300 1 922 90 90 VAL CG1 C 18.878 0.300 2 923 90 90 VAL CG2 C 19.745 0.300 2 924 90 90 VAL N N 117.016 0.300 1 925 91 91 ALA H H 7.985 0.030 1 926 91 91 ALA HA H 4.273 0.030 1 927 91 91 ALA HB H 1.396 0.030 1 928 91 91 ALA C C 176.365 0.300 1 929 91 91 ALA CA C 50.071 0.300 1 930 91 91 ALA CB C 17.136 0.300 1 931 91 91 ALA N N 118.117 0.300 1 932 92 92 GLY H H 7.773 0.030 1 933 92 92 GLY HA2 H 3.900 0.030 1 934 92 92 GLY HA3 H 3.900 0.030 1 935 92 92 GLY C C 173.635 0.300 1 936 92 92 GLY CA C 44.364 0.300 1 937 92 92 GLY N N 108.145 0.300 1 938 93 93 SER H H 7.859 0.030 1 939 93 93 SER HA H 4.293 0.030 1 940 93 93 SER HB2 H 3.516 0.030 2 941 93 93 SER HB3 H 4.061 0.030 2 942 93 93 SER C C 171.909 0.300 1 943 93 93 SER CA C 56.287 0.300 1 944 93 93 SER CB C 61.976 0.300 1 945 93 93 SER N N 110.476 0.300 1 946 94 94 ASP H H 8.715 0.030 1 947 94 94 ASP HA H 4.975 0.030 1 948 94 94 ASP HB2 H 2.678 0.030 2 949 94 94 ASP HB3 H 2.239 0.030 2 950 94 94 ASP C C 169.921 0.300 1 951 94 94 ASP CA C 49.334 0.300 1 952 94 94 ASP CB C 38.571 0.300 1 953 94 94 ASP N N 121.379 0.300 1 954 95 95 PRO HA H 4.196 0.030 1 955 95 95 PRO HB2 H 2.240 0.030 2 956 95 95 PRO HB3 H 1.873 0.030 2 957 95 95 PRO HD2 H 3.728 0.030 2 958 95 95 PRO HD3 H 3.236 0.030 2 959 95 95 PRO HG2 H 1.966 0.030 1 960 95 95 PRO HG3 H 1.966 0.030 1 961 95 95 PRO C C 178.248 0.300 1 962 95 95 PRO CA C 62.387 0.300 1 963 95 95 PRO CB C 29.671 0.300 1 964 95 95 PRO CD C 47.879 0.300 1 965 95 95 PRO CG C 25.187 0.300 1 966 96 96 LEU H H 8.495 0.030 1 967 96 96 LEU HA H 4.017 0.030 1 968 96 96 LEU HB2 H 1.796 0.030 2 969 96 96 LEU HB3 H 1.345 0.030 2 970 96 96 LEU HD1 H 0.756 0.030 1 971 96 96 LEU HD2 H 0.818 0.030 1 972 96 96 LEU HG H 1.633 0.030 1 973 96 96 LEU C C 178.185 0.300 1 974 96 96 LEU CA C 55.330 0.300 1 975 96 96 LEU CB C 37.817 0.300 1 976 96 96 LEU CD1 C 20.324 0.300 2 977 96 96 LEU CD2 C 22.560 0.300 2 978 96 96 LEU CG C 25.105 0.300 1 979 96 96 LEU N N 116.849 0.300 1 980 97 97 GLY H H 7.708 0.030 1 981 97 97 GLY HA2 H 3.732 0.030 2 982 97 97 GLY HA3 H 3.557 0.030 2 983 97 97 GLY C C 173.307 0.300 1 984 97 97 GLY CA C 44.811 0.300 1 985 97 97 GLY N N 112.076 0.300 1 986 98 98 LEU H H 7.915 0.030 1 987 98 98 LEU HA H 4.008 0.030 1 988 98 98 LEU HB2 H 1.917 0.030 2 989 98 98 LEU HB3 H 1.209 0.030 2 990 98 98 LEU HD1 H 0.756 0.030 1 991 98 98 LEU HD2 H 0.845 0.030 1 992 98 98 LEU HG H 1.224 0.030 1 993 98 98 LEU C C 175.761 0.300 1 994 98 98 LEU CA C 55.772 0.300 1 995 98 98 LEU CB C 38.706 0.300 1 996 98 98 LEU CD1 C 20.333 0.300 2 997 98 98 LEU CD2 C 24.314 0.300 2 998 98 98 LEU CG C 24.902 0.300 1 999 98 98 LEU N N 121.896 0.300 1 1000 99 99 ILE H H 7.533 0.030 1 1001 99 99 ILE HA H 3.290 0.030 1 1002 99 99 ILE HB H 1.665 0.030 1 1003 99 99 ILE HD1 H 0.747 0.030 1 1004 99 99 ILE HG12 H 1.744 0.030 2 1005 99 99 ILE HG13 H 0.852 0.030 2 1006 99 99 ILE HG2 H 0.697 0.030 1 1007 99 99 ILE C C 175.781 0.300 1 1008 99 99 ILE CA C 64.209 0.300 1 1009 99 99 ILE CB C 35.665 0.300 1 1010 99 99 ILE CD1 C 11.211 0.300 1 1011 99 99 ILE CG1 C 29.059 0.300 1 1012 99 99 ILE CG2 C 14.583 0.300 1 1013 99 99 ILE N N 118.057 0.300 1 1014 100 100 ALA H H 7.931 0.030 1 1015 100 100 ALA HA H 3.866 0.030 1 1016 100 100 ALA HB H 1.388 0.030 1 1017 100 100 ALA C C 177.574 0.300 1 1018 100 100 ALA CA C 52.889 0.300 1 1019 100 100 ALA CB C 15.378 0.300 1 1020 100 100 ALA N N 123.223 0.300 1 1021 101 101 TYR H H 8.263 0.030 1 1022 101 101 TYR HA H 4.049 0.030 1 1023 101 101 TYR HB2 H 3.144 0.030 2 1024 101 101 TYR HB3 H 2.982 0.030 2 1025 101 101 TYR HD1 H 6.874 0.030 1 1026 101 101 TYR HD2 H 6.874 0.030 1 1027 101 101 TYR HE1 H 6.592 0.030 1 1028 101 101 TYR HE2 H 6.592 0.030 1 1029 101 101 TYR C C 175.156 0.300 1 1030 101 101 TYR CA C 58.743 0.300 1 1031 101 101 TYR CB C 36.769 0.300 1 1032 101 101 TYR CD1 C 129.103 0.300 1 1033 101 101 TYR CD2 C 129.103 0.300 1 1034 101 101 TYR CE1 C 117.146 0.300 1 1035 101 101 TYR CE2 C 117.146 0.300 1 1036 101 101 TYR N N 119.694 0.300 1 1037 102 102 LEU H H 8.479 0.030 1 1038 102 102 LEU HA H 3.848 0.030 1 1039 102 102 LEU HB2 H 1.633 0.030 2 1040 102 102 LEU HB3 H 0.870 0.030 2 1041 102 102 LEU HD1 H -0.409 0.030 1 1042 102 102 LEU HD2 H -0.173 0.030 1 1043 102 102 LEU HG H 1.380 0.030 1 1044 102 102 LEU C C 177.303 0.300 1 1045 102 102 LEU CA C 55.612 0.300 1 1046 102 102 LEU CB C 39.531 0.300 1 1047 102 102 LEU CD1 C 22.195 0.300 2 1048 102 102 LEU CD2 C 18.384 0.300 2 1049 102 102 LEU CG C 23.952 0.300 1 1050 102 102 LEU N N 117.139 0.300 1 1051 103 103 SER H H 8.555 0.030 1 1052 103 103 SER HA H 4.094 0.030 1 1053 103 103 SER HB2 H 3.834 0.030 2 1054 103 103 SER HB3 H 4.013 0.030 2 1055 103 103 SER C C 174.142 0.300 1 1056 103 103 SER CA C 59.729 0.300 1 1057 103 103 SER CB C 60.246 0.300 1 1058 103 103 SER N N 114.498 0.300 1 1059 104 104 HIS H H 7.918 0.030 1 1060 104 104 HIS HA H 4.392 0.030 1 1061 104 104 HIS HB2 H 3.238 0.030 2 1062 104 104 HIS HB3 H 2.931 0.030 2 1063 104 104 HIS HD2 H 6.908 0.030 1 1064 104 104 HIS HE1 H 7.808 0.030 1 1065 104 104 HIS C C 176.461 0.300 1 1066 104 104 HIS CA C 55.984 0.300 1 1067 104 104 HIS CB C 27.396 0.300 1 1068 104 104 HIS CD2 C 117.755 0.300 1 1069 104 104 HIS CE1 C 135.500 0.300 1 1070 104 104 HIS N N 122.682 0.300 1 1071 105 105 PHE H H 7.582 0.030 1 1072 105 105 PHE HA H 3.988 0.030 1 1073 105 105 PHE HB2 H 3.356 0.030 2 1074 105 105 PHE HB3 H 3.099 0.030 2 1075 105 105 PHE HD1 H 7.020 0.030 1 1076 105 105 PHE HD2 H 7.020 0.030 1 1077 105 105 PHE HE1 H 6.476 0.030 1 1078 105 105 PHE HE2 H 6.476 0.030 1 1079 105 105 PHE HZ H 6.856 0.030 1 1080 105 105 PHE C C 174.564 0.300 1 1081 105 105 PHE CA C 60.030 0.300 1 1082 105 105 PHE CB C 36.948 0.300 1 1083 105 105 PHE CD1 C 128.983 0.300 1 1084 105 105 PHE CD2 C 128.983 0.300 1 1085 105 105 PHE CE1 C 128.856 0.300 1 1086 105 105 PHE CE2 C 128.856 0.300 1 1087 105 105 PHE CZ C 126.948 0.300 1 1088 105 105 PHE N N 119.263 0.300 1 1089 106 106 HIS H H 7.618 0.030 1 1090 106 106 HIS HA H 2.312 0.030 1 1091 106 106 HIS HB2 H 2.265 0.030 2 1092 106 106 HIS HB3 H 2.742 0.030 2 1093 106 106 HIS HD2 H 5.144 0.030 1 1094 106 106 HIS HE1 H 7.298 0.030 1 1095 106 106 HIS C C 174.180 0.300 1 1096 106 106 HIS CA C 55.841 0.300 1 1097 106 106 HIS CB C 29.534 0.300 1 1098 106 106 HIS CD2 C 116.247 0.300 1 1099 106 106 HIS CE1 C 134.332 0.300 1 1100 106 106 HIS N N 118.173 0.300 1 1101 107 107 SER H H 8.168 0.030 1 1102 107 107 SER HA H 3.606 0.030 1 1103 107 107 SER HB2 H 3.688 0.030 2 1104 107 107 SER HB3 H 3.749 0.030 2 1105 107 107 SER C C 173.911 0.300 1 1106 107 107 SER CA C 58.946 0.300 1 1107 107 107 SER CB C 60.673 0.300 1 1108 107 107 SER N N 110.826 0.300 1 1109 108 108 ALA H H 7.395 0.030 1 1110 108 108 ALA HA H 3.911 0.030 1 1111 108 108 ALA HB H 0.939 0.030 1 1112 108 108 ALA C C 176.792 0.300 1 1113 108 108 ALA CA C 51.651 0.300 1 1114 108 108 ALA CB C 16.779 0.300 1 1115 108 108 ALA N N 120.707 0.300 1 1116 109 109 PHE H H 7.795 0.030 1 1117 109 109 PHE HA H 4.725 0.030 1 1118 109 109 PHE HB2 H 3.594 0.030 2 1119 109 109 PHE HB3 H 3.045 0.030 2 1120 109 109 PHE HD1 H 7.549 0.030 1 1121 109 109 PHE HD2 H 7.549 0.030 1 1122 109 109 PHE HE1 H 7.261 0.030 1 1123 109 109 PHE HE2 H 7.261 0.030 1 1124 109 109 PHE HZ H 7.365 0.030 1 1125 109 109 PHE C C 174.271 0.300 1 1126 109 109 PHE CA C 56.161 0.300 1 1127 109 109 PHE CB C 37.863 0.300 1 1128 109 109 PHE CD1 C 130.508 0.300 1 1129 109 109 PHE CD2 C 130.508 0.300 1 1130 109 109 PHE CE1 C 128.774 0.300 1 1131 109 109 PHE CE2 C 128.774 0.300 1 1132 109 109 PHE CZ C 128.256 0.300 1 1133 109 109 PHE N N 113.942 0.300 1 1134 110 110 LYS H H 7.651 0.030 1 1135 110 110 LYS HA H 4.098 0.030 1 1136 110 110 LYS HB2 H 1.317 0.030 2 1137 110 110 LYS HB3 H 1.453 0.030 2 1138 110 110 LYS HD2 H 0.992 0.030 2 1139 110 110 LYS HD3 H 1.172 0.030 2 1140 110 110 LYS HE2 H 2.636 0.030 2 1141 110 110 LYS HE3 H 2.587 0.030 2 1142 110 110 LYS HG2 H 0.993 0.030 2 1143 110 110 LYS HG3 H 1.119 0.030 2 1144 110 110 LYS C C 174.655 0.300 1 1145 110 110 LYS CA C 55.968 0.300 1 1146 110 110 LYS CB C 29.267 0.300 1 1147 110 110 LYS CD C 26.721 0.300 1 1148 110 110 LYS CE C 39.545 0.300 1 1149 110 110 LYS CG C 21.524 0.300 1 1150 110 110 LYS N N 121.764 0.300 1 1151 111 111 SER H H 8.350 0.030 1 1152 111 111 SER HA H 4.473 0.030 1 1153 111 111 SER HB2 H 3.846 0.030 2 1154 111 111 SER C C 172.268 0.300 1 1155 111 111 SER CA C 55.984 0.300 1 1156 111 111 SER CB C 61.498 0.300 1 1157 111 111 SER N N 115.251 0.300 1 1158 112 112 GLY H H 8.112 0.030 1 1159 112 112 GLY HA2 H 4.172 0.030 2 1160 112 112 GLY HA3 H 4.023 0.030 2 1161 112 112 GLY C C 169.314 0.300 1 1162 112 112 GLY CA C 42.297 0.300 1 1163 112 112 GLY N N 110.117 0.300 1 1164 113 113 PRO HA H 4.446 0.030 1 1165 113 113 PRO HB2 H 2.265 0.030 2 1166 113 113 PRO HB3 H 1.908 0.030 2 1167 113 113 PRO HD2 H 3.605 0.030 2 1168 113 113 PRO HD3 H 3.569 0.030 2 1169 113 113 PRO HG2 H 1.958 0.030 1 1170 113 113 PRO HG3 H 1.958 0.030 1 1171 113 113 PRO C C 175.042 0.300 1 1172 113 113 PRO CA C 60.894 0.300 1 1173 113 113 PRO CB C 29.940 0.300 1 1174 113 113 PRO CD C 47.499 0.300 1 1175 113 113 PRO CG C 24.883 0.300 1 1176 114 114 SER H H 8.514 0.030 1 1177 114 114 SER C C 172.350 0.300 1 1178 114 114 SER CA C 56.055 0.300 1 1179 114 114 SER CB C 61.622 0.300 1 1180 114 114 SER N N 116.094 0.300 1 stop_ save_