data_11084 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the CH domain of human calponin-2 ; _BMRB_accession_number 11084 _BMRB_flat_file_name bmr11084.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" 828 "13C chemical shifts" 617 "15N chemical shifts" 151 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 calponin-2' _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 Calponin-2 _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 146 _Mol_residue_sequence ; GSSGSSGNRLLSKYDPQKEA ELRTWIEGLTGLSIGPDFQK GLKDGTILCTLMNKLQPGSV PKINRSMQNWHQLENLSNFI KAMVSYGMNPVDLFEANDLF ESGNMTQVQVSLLALAGKAK TKGLQSGVDIGVKYSEKQER SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 ARG 10 LEU 11 LEU 12 SER 13 LYS 14 TYR 15 ASP 16 PRO 17 GLN 18 LYS 19 GLU 20 ALA 21 GLU 22 LEU 23 ARG 24 THR 25 TRP 26 ILE 27 GLU 28 GLY 29 LEU 30 THR 31 GLY 32 LEU 33 SER 34 ILE 35 GLY 36 PRO 37 ASP 38 PHE 39 GLN 40 LYS 41 GLY 42 LEU 43 LYS 44 ASP 45 GLY 46 THR 47 ILE 48 LEU 49 CYS 50 THR 51 LEU 52 MET 53 ASN 54 LYS 55 LEU 56 GLN 57 PRO 58 GLY 59 SER 60 VAL 61 PRO 62 LYS 63 ILE 64 ASN 65 ARG 66 SER 67 MET 68 GLN 69 ASN 70 TRP 71 HIS 72 GLN 73 LEU 74 GLU 75 ASN 76 LEU 77 SER 78 ASN 79 PHE 80 ILE 81 LYS 82 ALA 83 MET 84 VAL 85 SER 86 TYR 87 GLY 88 MET 89 ASN 90 PRO 91 VAL 92 ASP 93 LEU 94 PHE 95 GLU 96 ALA 97 ASN 98 ASP 99 LEU 100 PHE 101 GLU 102 SER 103 GLY 104 ASN 105 MET 106 THR 107 GLN 108 VAL 109 GLN 110 VAL 111 SER 112 LEU 113 LEU 114 ALA 115 LEU 116 ALA 117 GLY 118 LYS 119 ALA 120 LYS 121 THR 122 LYS 123 GLY 124 LEU 125 GLN 126 SER 127 GLY 128 VAL 129 ASP 130 ILE 131 GLY 132 VAL 133 LYS 134 TYR 135 SER 136 GLU 137 LYS 138 GLN 139 GLU 140 ARG 141 SER 142 GLY 143 PRO 144 SER 145 SER 146 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-11 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 1WYN "Solution Structure Of The Ch Domain Of Human Calponin-2" 100.00 146 100.00 100.00 2.31e-100 GB AAH08181 "Cnn2 protein [Mus musculus]" 61.64 242 98.89 100.00 7.54e-55 GB EHH29410 "Calponin H2, smooth muscle, partial [Macaca mulatta]" 91.78 297 97.01 99.25 1.88e-87 GB ERE72360 "ATP-binding cassette sub-family A member 7 [Cricetulus griseus]" 90.41 2318 96.97 99.24 1.68e-78 REF XP_003813803 "PREDICTED: calponin-2 [Pan paniscus]" 61.64 246 98.89 100.00 1.16e-54 REF XP_005587402 "PREDICTED: calponin-2 [Macaca fascicularis]" 61.64 246 98.89 100.00 1.19e-54 REF XP_007176698 "PREDICTED: calponin-2 isoform X1 [Balaenoptera acutorostrata scammoni]" 90.41 384 96.97 98.48 1.69e-85 REF XP_007176699 "PREDICTED: calponin-2 isoform X2 [Balaenoptera acutorostrata scammoni]" 89.73 337 97.71 99.24 5.16e-86 REF XP_008068876 "PREDICTED: calponin-2-like [Tarsius syrichta]" 74.66 394 97.25 98.17 1.49e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P040607-10 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.30mM CH domain [U-15N,13C], 20mM d-Tris-HCl(pH 7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.3 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 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $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 8 8 ASN HA H 4.623 0.030 1 2 8 8 ASN HB2 H 2.763 0.030 2 3 8 8 ASN HB3 H 2.688 0.030 2 4 8 8 ASN HD21 H 6.850 0.030 2 5 8 8 ASN HD22 H 7.523 0.030 2 6 8 8 ASN C C 173.749 0.300 1 7 8 8 ASN CA C 50.963 0.300 1 8 8 8 ASN CB C 36.567 0.300 1 9 8 8 ASN ND2 N 112.293 0.300 1 10 9 9 ARG HA H 4.228 0.030 1 11 9 9 ARG HB2 H 1.793 0.030 2 12 9 9 ARG HB3 H 1.711 0.030 2 13 9 9 ARG HD2 H 3.129 0.030 1 14 9 9 ARG HD3 H 3.129 0.030 1 15 9 9 ARG HG2 H 1.552 0.030 1 16 9 9 ARG HG3 H 1.552 0.030 1 17 9 9 ARG C C 174.362 0.300 1 18 9 9 ARG CA C 54.166 0.300 1 19 9 9 ARG CB C 28.378 0.300 1 20 9 9 ARG CD C 41.026 0.300 1 21 9 9 ARG CG C 24.776 0.300 1 22 10 10 LEU H H 8.177 0.030 1 23 10 10 LEU HA H 4.263 0.030 1 24 10 10 LEU HB2 H 1.590 0.030 2 25 10 10 LEU HB3 H 1.518 0.030 2 26 10 10 LEU HD1 H 0.795 0.030 1 27 10 10 LEU HD2 H 0.862 0.030 1 28 10 10 LEU HG H 1.538 0.030 1 29 10 10 LEU C C 175.363 0.300 1 30 10 10 LEU CA C 53.023 0.300 1 31 10 10 LEU CB C 39.775 0.300 1 32 10 10 LEU CD1 C 21.217 0.300 2 33 10 10 LEU CD2 C 22.571 0.300 2 34 10 10 LEU CG C 24.764 0.300 1 35 10 10 LEU N N 122.371 0.300 1 36 11 11 LEU H H 8.055 0.030 1 37 11 11 LEU HA H 4.323 0.030 1 38 11 11 LEU HB2 H 1.563 0.030 1 39 11 11 LEU HB3 H 1.563 0.030 1 40 11 11 LEU HD1 H 0.794 0.030 1 41 11 11 LEU HD2 H 0.890 0.030 1 42 11 11 LEU HG H 1.564 0.030 1 43 11 11 LEU C C 175.332 0.300 1 44 11 11 LEU CA C 52.716 0.300 1 45 11 11 LEU CB C 40.036 0.300 1 46 11 11 LEU CD1 C 21.155 0.300 2 47 11 11 LEU CD2 C 22.784 0.300 2 48 11 11 LEU CG C 24.705 0.300 1 49 11 11 LEU N N 122.488 0.300 1 50 12 12 SER H H 8.082 0.030 1 51 12 12 SER HA H 4.373 0.030 1 52 12 12 SER HB2 H 3.743 0.030 1 53 12 12 SER HB3 H 3.743 0.030 1 54 12 12 SER C C 171.882 0.300 1 55 12 12 SER CA C 55.956 0.300 1 56 12 12 SER CB C 61.594 0.300 1 57 12 12 SER N N 116.472 0.300 1 58 13 13 LYS H H 8.160 0.030 1 59 13 13 LYS HA H 4.386 0.030 1 60 13 13 LYS HB2 H 1.786 0.030 2 61 13 13 LYS HB3 H 1.642 0.030 2 62 13 13 LYS HD2 H 1.643 0.030 1 63 13 13 LYS HD3 H 1.643 0.030 1 64 13 13 LYS HE2 H 2.935 0.030 1 65 13 13 LYS HE3 H 2.935 0.030 1 66 13 13 LYS HG2 H 1.347 0.030 1 67 13 13 LYS HG3 H 1.347 0.030 1 68 13 13 LYS C C 173.403 0.300 1 69 13 13 LYS CA C 53.121 0.300 1 70 13 13 LYS CB C 31.694 0.300 1 71 13 13 LYS CD C 26.835 0.300 1 72 13 13 LYS CE C 39.818 0.300 1 73 13 13 LYS CG C 22.242 0.300 1 74 13 13 LYS N N 121.796 0.300 1 75 14 14 TYR H H 8.306 0.030 1 76 14 14 TYR HA H 3.745 0.030 1 77 14 14 TYR HB2 H 2.839 0.030 2 78 14 14 TYR HB3 H 2.744 0.030 2 79 14 14 TYR HD1 H 6.646 0.030 1 80 14 14 TYR HD2 H 6.646 0.030 1 81 14 14 TYR HE1 H 6.495 0.030 1 82 14 14 TYR HE2 H 6.495 0.030 1 83 14 14 TYR C C 172.983 0.300 1 84 14 14 TYR CA C 57.684 0.300 1 85 14 14 TYR CB C 36.012 0.300 1 86 14 14 TYR CD1 C 130.823 0.300 1 87 14 14 TYR CD2 C 130.823 0.300 1 88 14 14 TYR CE1 C 115.547 0.300 1 89 14 14 TYR CE2 C 115.547 0.300 1 90 14 14 TYR N N 124.960 0.300 1 91 15 15 ASP H H 8.398 0.030 1 92 15 15 ASP HA H 5.152 0.030 1 93 15 15 ASP HB2 H 2.408 0.030 2 94 15 15 ASP HB3 H 2.603 0.030 2 95 15 15 ASP CA C 48.217 0.300 1 96 15 15 ASP CB C 41.338 0.300 1 97 15 15 ASP N N 129.179 0.300 1 98 16 16 PRO HA H 4.163 0.030 1 99 16 16 PRO HB2 H 1.975 0.030 2 100 16 16 PRO HB3 H 2.435 0.030 2 101 16 16 PRO HD2 H 4.083 0.030 2 102 16 16 PRO HD3 H 3.967 0.030 2 103 16 16 PRO HG2 H 2.107 0.030 2 104 16 16 PRO HG3 H 2.072 0.030 2 105 16 16 PRO C C 177.399 0.300 1 106 16 16 PRO CA C 62.466 0.300 1 107 16 16 PRO CB C 29.988 0.300 1 108 16 16 PRO CD C 49.422 0.300 1 109 16 16 PRO CG C 25.141 0.300 1 110 17 17 GLN H H 8.386 0.030 1 111 17 17 GLN HA H 4.107 0.030 1 112 17 17 GLN HB2 H 2.111 0.030 2 113 17 17 GLN HB3 H 2.070 0.030 2 114 17 17 GLN HE21 H 7.638 0.030 2 115 17 17 GLN HE22 H 6.802 0.030 2 116 17 17 GLN HG2 H 2.334 0.030 2 117 17 17 GLN HG3 H 2.296 0.030 2 118 17 17 GLN C C 177.410 0.300 1 119 17 17 GLN CA C 56.393 0.300 1 120 17 17 GLN CB C 25.298 0.300 1 121 17 17 GLN CG C 31.792 0.300 1 122 17 17 GLN N N 119.959 0.300 1 123 17 17 GLN NE2 N 112.420 0.300 1 124 18 18 LYS H H 7.221 0.030 1 125 18 18 LYS HA H 4.005 0.030 1 126 18 18 LYS HB2 H 1.687 0.030 2 127 18 18 LYS HB3 H 1.431 0.030 2 128 18 18 LYS HD2 H 1.448 0.030 2 129 18 18 LYS HD3 H 1.363 0.030 2 130 18 18 LYS HE2 H 2.749 0.030 2 131 18 18 LYS HE3 H 2.818 0.030 2 132 18 18 LYS HG2 H 1.330 0.030 2 133 18 18 LYS HG3 H 1.245 0.030 2 134 18 18 LYS C C 176.625 0.300 1 135 18 18 LYS CA C 54.926 0.300 1 136 18 18 LYS CB C 29.201 0.300 1 137 18 18 LYS CD C 25.580 0.300 1 138 18 18 LYS CE C 39.814 0.300 1 139 18 18 LYS CG C 22.421 0.300 1 140 18 18 LYS N N 118.004 0.300 1 141 19 19 GLU H H 7.209 0.030 1 142 19 19 GLU HA H 3.418 0.030 1 143 19 19 GLU HB2 H 1.428 0.030 2 144 19 19 GLU HB3 H 2.023 0.030 2 145 19 19 GLU HG2 H 1.536 0.030 2 146 19 19 GLU HG3 H 0.971 0.030 2 147 19 19 GLU C C 175.354 0.300 1 148 19 19 GLU CA C 57.412 0.300 1 149 19 19 GLU CB C 26.863 0.300 1 150 19 19 GLU CG C 34.543 0.300 1 151 19 19 GLU N N 118.846 0.300 1 152 20 20 ALA H H 7.353 0.030 1 153 20 20 ALA HA H 3.990 0.030 1 154 20 20 ALA HB H 1.473 0.030 1 155 20 20 ALA C C 178.244 0.300 1 156 20 20 ALA CA C 53.393 0.300 1 157 20 20 ALA CB C 15.311 0.300 1 158 20 20 ALA N N 121.301 0.300 1 159 21 21 GLU H H 7.531 0.030 1 160 21 21 GLU HA H 3.994 0.030 1 161 21 21 GLU HB2 H 2.049 0.030 2 162 21 21 GLU HB3 H 1.950 0.030 2 163 21 21 GLU HG2 H 2.319 0.030 2 164 21 21 GLU HG3 H 2.069 0.030 2 165 21 21 GLU C C 178.125 0.300 1 166 21 21 GLU CA C 57.098 0.300 1 167 21 21 GLU CB C 27.469 0.300 1 168 21 21 GLU CG C 33.784 0.300 1 169 21 21 GLU N N 118.054 0.300 1 170 22 22 LEU H H 8.203 0.030 1 171 22 22 LEU HA H 4.334 0.030 1 172 22 22 LEU HB2 H 1.362 0.030 2 173 22 22 LEU HB3 H 2.163 0.030 2 174 22 22 LEU HD1 H 0.908 0.030 1 175 22 22 LEU HD2 H 0.899 0.030 1 176 22 22 LEU HG H 1.795 0.030 1 177 22 22 LEU C C 177.146 0.300 1 178 22 22 LEU CA C 55.490 0.300 1 179 22 22 LEU CB C 41.440 0.300 1 180 22 22 LEU CD1 C 24.693 0.300 2 181 22 22 LEU CD2 C 21.479 0.300 2 182 22 22 LEU CG C 24.917 0.300 1 183 22 22 LEU N N 120.041 0.300 1 184 23 23 ARG H H 9.005 0.030 1 185 23 23 ARG HA H 3.851 0.030 1 186 23 23 ARG HB2 H 2.103 0.030 2 187 23 23 ARG HB3 H 1.971 0.030 2 188 23 23 ARG HD2 H 3.160 0.030 2 189 23 23 ARG HD3 H 3.309 0.030 2 190 23 23 ARG HE H 8.331 0.030 1 191 23 23 ARG HG2 H 1.542 0.030 2 192 23 23 ARG HG3 H 1.794 0.030 2 193 23 23 ARG C C 175.724 0.300 1 194 23 23 ARG CA C 58.355 0.300 1 195 23 23 ARG CB C 27.917 0.300 1 196 23 23 ARG CD C 40.937 0.300 1 197 23 23 ARG CG C 26.840 0.300 1 198 23 23 ARG N N 119.647 0.300 1 199 23 23 ARG NE N 85.497 0.300 1 200 24 24 THR H H 7.920 0.030 1 201 24 24 THR HA H 3.962 0.030 1 202 24 24 THR HB H 4.189 0.030 1 203 24 24 THR HG2 H 1.262 0.030 1 204 24 24 THR C C 175.471 0.300 1 205 24 24 THR CA C 64.082 0.300 1 206 24 24 THR CB C 66.706 0.300 1 207 24 24 THR CG2 C 19.642 0.300 1 208 24 24 THR N N 113.681 0.300 1 209 25 25 TRP H H 7.874 0.030 1 210 25 25 TRP HA H 4.450 0.030 1 211 25 25 TRP HB2 H 3.318 0.030 2 212 25 25 TRP HB3 H 3.505 0.030 2 213 25 25 TRP HD1 H 7.313 0.030 1 214 25 25 TRP HE1 H 10.274 0.030 1 215 25 25 TRP HE3 H 7.493 0.030 1 216 25 25 TRP HH2 H 6.819 0.030 1 217 25 25 TRP HZ2 H 7.094 0.030 1 218 25 25 TRP HZ3 H 6.854 0.030 1 219 25 25 TRP C C 175.632 0.300 1 220 25 25 TRP CA C 58.551 0.300 1 221 25 25 TRP CB C 26.171 0.300 1 222 25 25 TRP CD1 C 124.932 0.300 1 223 25 25 TRP CE3 C 118.458 0.300 1 224 25 25 TRP CH2 C 120.843 0.300 1 225 25 25 TRP CZ2 C 111.409 0.300 1 226 25 25 TRP CZ3 C 118.533 0.300 1 227 25 25 TRP N N 122.959 0.300 1 228 25 25 TRP NE1 N 131.289 0.300 1 229 26 26 ILE H H 9.066 0.030 1 230 26 26 ILE HA H 2.887 0.030 1 231 26 26 ILE HB H 1.718 0.030 1 232 26 26 ILE HD1 H 0.820 0.030 1 233 26 26 ILE HG12 H 0.629 0.030 2 234 26 26 ILE HG13 H 2.300 0.030 2 235 26 26 ILE HG2 H 0.475 0.030 1 236 26 26 ILE C C 178.510 0.300 1 237 26 26 ILE CA C 63.279 0.300 1 238 26 26 ILE CB C 36.605 0.300 1 239 26 26 ILE CD1 C 11.313 0.300 1 240 26 26 ILE CG1 C 27.449 0.300 1 241 26 26 ILE CG2 C 15.197 0.300 1 242 26 26 ILE N N 117.356 0.300 1 243 27 27 GLU H H 8.965 0.030 1 244 27 27 GLU HA H 3.920 0.030 1 245 27 27 GLU HB2 H 2.004 0.030 2 246 27 27 GLU HB3 H 1.881 0.030 2 247 27 27 GLU HG2 H 2.674 0.030 1 248 27 27 GLU HG3 H 2.674 0.030 1 249 27 27 GLU C C 178.176 0.300 1 250 27 27 GLU CA C 57.889 0.300 1 251 27 27 GLU CB C 26.361 0.300 1 252 27 27 GLU CG C 35.151 0.300 1 253 27 27 GLU N N 120.668 0.300 1 254 28 28 GLY H H 7.872 0.030 1 255 28 28 GLY HA2 H 3.878 0.030 2 256 28 28 GLY HA3 H 3.762 0.030 2 257 28 28 GLY C C 174.021 0.300 1 258 28 28 GLY CA C 44.736 0.300 1 259 28 28 GLY N N 107.378 0.300 1 260 29 29 LEU H H 7.478 0.030 1 261 29 29 LEU HA H 4.115 0.030 1 262 29 29 LEU HB2 H 0.933 0.030 2 263 29 29 LEU HB3 H 1.260 0.030 2 264 29 29 LEU HD1 H 0.409 0.030 1 265 29 29 LEU HD2 H 0.637 0.030 1 266 29 29 LEU HG H 1.305 0.030 1 267 29 29 LEU C C 176.922 0.300 1 268 29 29 LEU CA C 54.672 0.300 1 269 29 29 LEU CB C 41.312 0.300 1 270 29 29 LEU CD1 C 22.646 0.300 2 271 29 29 LEU CD2 C 22.099 0.300 2 272 29 29 LEU CG C 25.664 0.300 1 273 29 29 LEU N N 118.903 0.300 1 274 30 30 THR H H 7.519 0.030 1 275 30 30 THR HA H 3.899 0.030 1 276 30 30 THR HB H 3.879 0.030 1 277 30 30 THR HG2 H 0.988 0.030 1 278 30 30 THR C C 173.769 0.300 1 279 30 30 THR CA C 60.962 0.300 1 280 30 30 THR CB C 69.031 0.300 1 281 30 30 THR CG2 C 19.117 0.300 1 282 30 30 THR N N 102.710 0.300 1 283 31 31 GLY H H 8.111 0.030 1 284 31 31 GLY HA2 H 3.949 0.030 2 285 31 31 GLY HA3 H 3.756 0.030 2 286 31 31 GLY C C 171.497 0.300 1 287 31 31 GLY CA C 43.704 0.300 1 288 31 31 GLY N N 110.707 0.300 1 289 32 32 LEU H H 7.547 0.030 1 290 32 32 LEU HA H 4.458 0.030 1 291 32 32 LEU HB2 H 1.187 0.030 2 292 32 32 LEU HB3 H 1.468 0.030 2 293 32 32 LEU HD1 H 0.773 0.030 1 294 32 32 LEU HD2 H 0.738 0.030 1 295 32 32 LEU HG H 1.374 0.030 1 296 32 32 LEU C C 172.911 0.300 1 297 32 32 LEU CA C 50.782 0.300 1 298 32 32 LEU CB C 41.190 0.300 1 299 32 32 LEU CD1 C 24.455 0.300 2 300 32 32 LEU CD2 C 19.829 0.300 2 301 32 32 LEU CG C 24.419 0.300 1 302 32 32 LEU N N 120.583 0.300 1 303 33 33 SER H H 7.888 0.030 1 304 33 33 SER HA H 4.393 0.030 1 305 33 33 SER HB2 H 3.605 0.030 2 306 33 33 SER HB3 H 3.538 0.030 2 307 33 33 SER C C 173.050 0.300 1 308 33 33 SER CA C 54.481 0.300 1 309 33 33 SER CB C 61.610 0.300 1 310 33 33 SER N N 112.279 0.300 1 311 34 34 ILE H H 9.682 0.030 1 312 34 34 ILE HA H 3.286 0.030 1 313 34 34 ILE HB H 1.669 0.030 1 314 34 34 ILE HD1 H 0.841 0.030 1 315 34 34 ILE HG12 H 0.613 0.030 2 316 34 34 ILE HG13 H 1.774 0.030 2 317 34 34 ILE HG2 H 0.656 0.030 1 318 34 34 ILE C C 174.580 0.300 1 319 34 34 ILE CA C 62.060 0.300 1 320 34 34 ILE CB C 37.021 0.300 1 321 34 34 ILE CD1 C 13.040 0.300 1 322 34 34 ILE CG1 C 27.494 0.300 1 323 34 34 ILE CG2 C 16.268 0.300 1 324 34 34 ILE N N 128.181 0.300 1 325 35 35 GLY H H 8.279 0.030 1 326 35 35 GLY HA2 H 4.323 0.030 2 327 35 35 GLY HA3 H 3.622 0.030 2 328 35 35 GLY C C 171.264 0.300 1 329 35 35 GLY CA C 41.538 0.300 1 330 35 35 GLY N N 105.480 0.300 1 331 36 36 PRO HA H 4.231 0.030 1 332 36 36 PRO HB2 H 1.905 0.030 2 333 36 36 PRO HB3 H 2.208 0.030 2 334 36 36 PRO HD2 H 3.591 0.030 2 335 36 36 PRO HD3 H 3.445 0.030 2 336 36 36 PRO HG2 H 1.945 0.030 2 337 36 36 PRO HG3 H 1.907 0.030 2 338 36 36 PRO C C 173.912 0.300 1 339 36 36 PRO CA C 62.684 0.300 1 340 36 36 PRO CB C 29.865 0.300 1 341 36 36 PRO CD C 47.036 0.300 1 342 36 36 PRO CG C 24.662 0.300 1 343 37 37 ASP H H 7.705 0.030 1 344 37 37 ASP HA H 4.837 0.030 1 345 37 37 ASP HB2 H 2.325 0.030 2 346 37 37 ASP HB3 H 2.630 0.030 2 347 37 37 ASP C C 173.834 0.300 1 348 37 37 ASP CA C 50.225 0.300 1 349 37 37 ASP CB C 41.103 0.300 1 350 37 37 ASP N N 118.019 0.300 1 351 38 38 PHE H H 9.049 0.030 1 352 38 38 PHE HA H 3.700 0.030 1 353 38 38 PHE HB2 H 3.010 0.030 2 354 38 38 PHE HB3 H 2.877 0.030 2 355 38 38 PHE HD1 H 6.927 0.030 1 356 38 38 PHE HD2 H 6.927 0.030 1 357 38 38 PHE HE1 H 6.855 0.030 1 358 38 38 PHE HE2 H 6.855 0.030 1 359 38 38 PHE HZ H 6.855 0.030 1 360 38 38 PHE C C 172.879 0.300 1 361 38 38 PHE CA C 59.932 0.300 1 362 38 38 PHE CB C 38.128 0.300 1 363 38 38 PHE CD1 C 130.500 0.300 1 364 38 38 PHE CD2 C 130.500 0.300 1 365 38 38 PHE CE1 C 128.145 0.300 1 366 38 38 PHE CE2 C 128.145 0.300 1 367 38 38 PHE CZ C 126.134 0.300 1 368 38 38 PHE N N 130.147 0.300 1 369 39 39 GLN H H 8.218 0.030 1 370 39 39 GLN HA H 3.446 0.030 1 371 39 39 GLN HB2 H 2.396 0.030 2 372 39 39 GLN HB3 H 1.903 0.030 2 373 39 39 GLN HE21 H 7.107 0.030 2 374 39 39 GLN HE22 H 5.933 0.030 2 375 39 39 GLN HG2 H 2.930 0.030 2 376 39 39 GLN HG3 H 2.326 0.030 2 377 39 39 GLN C C 176.439 0.300 1 378 39 39 GLN CA C 58.322 0.300 1 379 39 39 GLN CB C 23.535 0.300 1 380 39 39 GLN CG C 31.270 0.300 1 381 39 39 GLN N N 116.759 0.300 1 382 39 39 GLN NE2 N 106.188 0.300 1 383 40 40 LYS H H 8.153 0.030 1 384 40 40 LYS HA H 3.475 0.030 1 385 40 40 LYS HB2 H 1.624 0.030 2 386 40 40 LYS HB3 H 1.582 0.030 2 387 40 40 LYS HD2 H 1.572 0.030 2 388 40 40 LYS HD3 H 1.496 0.030 2 389 40 40 LYS HE2 H 2.907 0.030 1 390 40 40 LYS HE3 H 2.907 0.030 1 391 40 40 LYS HG2 H 1.441 0.030 2 392 40 40 LYS HG3 H 1.276 0.030 2 393 40 40 LYS C C 177.996 0.300 1 394 40 40 LYS CA C 57.081 0.300 1 395 40 40 LYS CB C 30.409 0.300 1 396 40 40 LYS CD C 26.904 0.300 1 397 40 40 LYS CE C 39.796 0.300 1 398 40 40 LYS CG C 23.529 0.300 1 399 40 40 LYS N N 118.031 0.300 1 400 41 41 GLY H H 8.210 0.030 1 401 41 41 GLY HA2 H 3.932 0.030 2 402 41 41 GLY HA3 H 4.113 0.030 2 403 41 41 GLY C C 173.321 0.300 1 404 41 41 GLY CA C 43.640 0.300 1 405 41 41 GLY N N 104.267 0.300 1 406 42 42 LEU H H 6.992 0.030 1 407 42 42 LEU HA H 4.498 0.030 1 408 42 42 LEU HB2 H 1.382 0.030 2 409 42 42 LEU HB3 H 1.140 0.030 2 410 42 42 LEU HD1 H -0.205 0.030 1 411 42 42 LEU HD2 H 0.389 0.030 1 412 42 42 LEU HG H 1.263 0.030 1 413 42 42 LEU C C 177.001 0.300 1 414 42 42 LEU CA C 51.524 0.300 1 415 42 42 LEU CB C 41.215 0.300 1 416 42 42 LEU CD1 C 23.272 0.300 2 417 42 42 LEU CD2 C 20.162 0.300 2 418 42 42 LEU CG C 23.417 0.300 1 419 42 42 LEU N N 116.151 0.300 1 420 43 43 LYS H H 7.507 0.030 1 421 43 43 LYS HA H 3.717 0.030 1 422 43 43 LYS HB2 H 1.882 0.030 2 423 43 43 LYS HB3 H 1.739 0.030 2 424 43 43 LYS HD2 H 1.417 0.030 2 425 43 43 LYS HD3 H 1.279 0.030 2 426 43 43 LYS HE2 H 2.371 0.030 1 427 43 43 LYS HE3 H 2.371 0.030 1 428 43 43 LYS HG2 H 1.147 0.030 2 429 43 43 LYS HG3 H 1.366 0.030 2 430 43 43 LYS C C 171.524 0.300 1 431 43 43 LYS CA C 58.499 0.300 1 432 43 43 LYS CB C 30.119 0.300 1 433 43 43 LYS CD C 27.635 0.300 1 434 43 43 LYS CE C 39.560 0.300 1 435 43 43 LYS CG C 22.148 0.300 1 436 43 43 LYS N N 122.108 0.300 1 437 44 44 ASP H H 8.260 0.030 1 438 44 44 ASP HA H 4.654 0.030 1 439 44 44 ASP HB2 H 2.503 0.030 2 440 44 44 ASP HB3 H 3.149 0.030 2 441 44 44 ASP C C 175.867 0.300 1 442 44 44 ASP CA C 51.795 0.300 1 443 44 44 ASP CB C 38.533 0.300 1 444 44 44 ASP N N 109.989 0.300 1 445 45 45 GLY H H 7.794 0.030 1 446 45 45 GLY HA2 H 3.573 0.030 2 447 45 45 GLY HA3 H 4.053 0.030 2 448 45 45 GLY C C 173.364 0.300 1 449 45 45 GLY CA C 45.131 0.300 1 450 45 45 GLY N N 103.794 0.300 1 451 46 46 THR H H 8.824 0.030 1 452 46 46 THR HA H 3.569 0.030 1 453 46 46 THR HB H 3.791 0.030 1 454 46 46 THR HG2 H 1.075 0.030 1 455 46 46 THR C C 176.418 0.300 1 456 46 46 THR CA C 64.366 0.300 1 457 46 46 THR CB C 65.996 0.300 1 458 46 46 THR CG2 C 19.724 0.300 1 459 46 46 THR N N 114.958 0.300 1 460 47 47 ILE H H 7.978 0.030 1 461 47 47 ILE HA H 3.297 0.030 1 462 47 47 ILE HB H 1.489 0.030 1 463 47 47 ILE HD1 H 0.545 0.030 1 464 47 47 ILE HG12 H 0.755 0.030 2 465 47 47 ILE HG13 H 1.776 0.030 2 466 47 47 ILE HG2 H 0.393 0.030 1 467 47 47 ILE C C 175.912 0.300 1 468 47 47 ILE CA C 64.697 0.300 1 469 47 47 ILE CB C 34.620 0.300 1 470 47 47 ILE CD1 C 11.073 0.300 1 471 47 47 ILE CG1 C 27.045 0.300 1 472 47 47 ILE CG2 C 14.781 0.300 1 473 47 47 ILE N N 125.145 0.300 1 474 48 48 LEU H H 8.772 0.030 1 475 48 48 LEU HA H 3.530 0.030 1 476 48 48 LEU HB2 H 0.848 0.030 2 477 48 48 LEU HB3 H -0.335 0.030 2 478 48 48 LEU HD1 H 0.421 0.030 1 479 48 48 LEU HD2 H 0.413 0.030 1 480 48 48 LEU HG H 1.546 0.030 1 481 48 48 LEU C C 176.621 0.300 1 482 48 48 LEU CA C 55.458 0.300 1 483 48 48 LEU CB C 35.992 0.300 1 484 48 48 LEU CD1 C 23.128 0.300 2 485 48 48 LEU CD2 C 19.203 0.300 2 486 48 48 LEU CG C 23.662 0.300 1 487 48 48 LEU N N 119.262 0.300 1 488 49 49 CYS H H 8.068 0.030 1 489 49 49 CYS HA H 3.975 0.030 1 490 49 49 CYS HB2 H 2.813 0.030 2 491 49 49 CYS HB3 H 2.240 0.030 2 492 49 49 CYS C C 174.077 0.300 1 493 49 49 CYS CA C 63.904 0.300 1 494 49 49 CYS CB C 26.128 0.300 1 495 49 49 CYS N N 115.370 0.300 1 496 50 50 THR H H 7.657 0.030 1 497 50 50 THR HA H 4.227 0.030 1 498 50 50 THR HB H 3.749 0.030 1 499 50 50 THR HG2 H 1.070 0.030 1 500 50 50 THR C C 174.308 0.300 1 501 50 50 THR CA C 65.593 0.300 1 502 50 50 THR CB C 65.032 0.300 1 503 50 50 THR CG2 C 18.328 0.300 1 504 50 50 THR N N 116.749 0.300 1 505 51 51 LEU H H 8.329 0.030 1 506 51 51 LEU HA H 3.364 0.030 1 507 51 51 LEU HB2 H 2.269 0.030 2 508 51 51 LEU HB3 H 0.992 0.030 2 509 51 51 LEU HD1 H 0.116 0.030 1 510 51 51 LEU HD2 H 0.659 0.030 1 511 51 51 LEU HG H 1.196 0.030 1 512 51 51 LEU C C 176.034 0.300 1 513 51 51 LEU CA C 56.254 0.300 1 514 51 51 LEU CB C 39.606 0.300 1 515 51 51 LEU CD1 C 22.895 0.300 2 516 51 51 LEU CD2 C 24.008 0.300 2 517 51 51 LEU CG C 24.422 0.300 1 518 51 51 LEU N N 123.266 0.300 1 519 52 52 MET H H 8.126 0.030 1 520 52 52 MET HA H 4.356 0.030 1 521 52 52 MET HB2 H 2.197 0.030 2 522 52 52 MET HB3 H 2.036 0.030 2 523 52 52 MET HE H 1.378 0.030 1 524 52 52 MET HG2 H 2.558 0.030 1 525 52 52 MET HG3 H 2.558 0.030 1 526 52 52 MET C C 175.999 0.300 1 527 52 52 MET CA C 53.922 0.300 1 528 52 52 MET CB C 29.216 0.300 1 529 52 52 MET CE C 14.513 0.300 1 530 52 52 MET CG C 30.390 0.300 1 531 52 52 MET N N 118.078 0.300 1 532 53 53 ASN H H 7.581 0.030 1 533 53 53 ASN HA H 4.840 0.030 1 534 53 53 ASN HB2 H 2.770 0.030 2 535 53 53 ASN HB3 H 2.684 0.030 2 536 53 53 ASN HD21 H 7.369 0.030 2 537 53 53 ASN HD22 H 7.066 0.030 2 538 53 53 ASN C C 176.017 0.300 1 539 53 53 ASN CA C 52.085 0.300 1 540 53 53 ASN CB C 35.874 0.300 1 541 53 53 ASN N N 116.331 0.300 1 542 53 53 ASN ND2 N 109.238 0.300 1 543 54 54 LYS H H 7.598 0.030 1 544 54 54 LYS HA H 4.140 0.030 1 545 54 54 LYS HB2 H 1.699 0.030 2 546 54 54 LYS HB3 H 2.000 0.030 2 547 54 54 LYS HD2 H 1.545 0.030 1 548 54 54 LYS HD3 H 1.545 0.030 1 549 54 54 LYS HE2 H 2.813 0.030 2 550 54 54 LYS HE3 H 2.919 0.030 2 551 54 54 LYS HG2 H 1.178 0.030 2 552 54 54 LYS HG3 H 1.508 0.030 2 553 54 54 LYS C C 176.773 0.300 1 554 54 54 LYS CA C 54.476 0.300 1 555 54 54 LYS CB C 28.877 0.300 1 556 54 54 LYS CD C 25.694 0.300 1 557 54 54 LYS CE C 39.730 0.300 1 558 54 54 LYS CG C 21.869 0.300 1 559 54 54 LYS N N 118.965 0.300 1 560 55 55 LEU H H 7.639 0.030 1 561 55 55 LEU HA H 4.079 0.030 1 562 55 55 LEU HB2 H 1.195 0.030 2 563 55 55 LEU HB3 H 1.630 0.030 2 564 55 55 LEU HD1 H 0.731 0.030 1 565 55 55 LEU HD2 H 0.887 0.030 1 566 55 55 LEU HG H 1.747 0.030 1 567 55 55 LEU C C 176.359 0.300 1 568 55 55 LEU CA C 54.739 0.300 1 569 55 55 LEU CB C 39.240 0.300 1 570 55 55 LEU CD1 C 22.859 0.300 2 571 55 55 LEU CD2 C 20.517 0.300 2 572 55 55 LEU CG C 24.149 0.300 1 573 55 55 LEU N N 118.132 0.300 1 574 56 56 GLN H H 8.613 0.030 1 575 56 56 GLN HA H 4.614 0.030 1 576 56 56 GLN HB2 H 1.824 0.030 2 577 56 56 GLN HB3 H 1.876 0.030 2 578 56 56 GLN HE21 H 7.382 0.030 2 579 56 56 GLN HE22 H 6.736 0.030 2 580 56 56 GLN HG2 H 2.189 0.030 2 581 56 56 GLN HG3 H 2.128 0.030 2 582 56 56 GLN C C 168.800 0.300 1 583 56 56 GLN CA C 50.878 0.300 1 584 56 56 GLN CB C 27.670 0.300 1 585 56 56 GLN CG C 32.107 0.300 1 586 56 56 GLN N N 118.188 0.300 1 587 56 56 GLN NE2 N 111.058 0.300 1 588 57 57 PRO HA H 4.692 0.030 1 589 57 57 PRO HB2 H 1.788 0.030 2 590 57 57 PRO HB3 H 2.249 0.030 2 591 57 57 PRO HD2 H 3.371 0.030 2 592 57 57 PRO HD3 H 3.602 0.030 2 593 57 57 PRO HG2 H 2.052 0.030 1 594 57 57 PRO HG3 H 2.052 0.030 1 595 57 57 PRO C C 175.847 0.300 1 596 57 57 PRO CA C 62.401 0.300 1 597 57 57 PRO CB C 29.460 0.300 1 598 57 57 PRO CD C 48.094 0.300 1 599 57 57 PRO CG C 24.904 0.300 1 600 58 58 GLY H H 8.336 0.030 1 601 58 58 GLY HA2 H 4.050 0.030 2 602 58 58 GLY HA3 H 3.529 0.030 2 603 58 58 GLY C C 172.385 0.300 1 604 58 58 GLY CA C 42.767 0.300 1 605 58 58 GLY N N 112.375 0.300 1 606 59 59 SER H H 8.199 0.030 1 607 59 59 SER HA H 4.003 0.030 1 608 59 59 SER HB2 H 3.801 0.030 2 609 59 59 SER HB3 H 3.693 0.030 2 610 59 59 SER C C 173.614 0.300 1 611 59 59 SER CA C 59.627 0.300 1 612 59 59 SER CB C 61.222 0.300 1 613 59 59 SER N N 116.946 0.300 1 614 60 60 VAL H H 9.013 0.030 1 615 60 60 VAL HA H 4.388 0.030 1 616 60 60 VAL HB H 1.945 0.030 1 617 60 60 VAL HG1 H 0.837 0.030 1 618 60 60 VAL HG2 H 0.716 0.030 1 619 60 60 VAL C C 172.357 0.300 1 620 60 60 VAL CA C 57.665 0.300 1 621 60 60 VAL CB C 29.867 0.300 1 622 60 60 VAL CG1 C 20.481 0.300 2 623 60 60 VAL CG2 C 17.985 0.300 2 624 60 60 VAL N N 121.143 0.300 1 625 61 61 PRO HA H 4.125 0.030 1 626 61 61 PRO HB2 H 1.865 0.030 2 627 61 61 PRO HB3 H 2.228 0.030 2 628 61 61 PRO HD2 H 3.436 0.030 2 629 61 61 PRO HD3 H 3.723 0.030 2 630 61 61 PRO HG2 H 1.894 0.030 2 631 61 61 PRO C C 174.049 0.300 1 632 61 61 PRO CA C 62.517 0.300 1 633 61 61 PRO CB C 30.116 0.300 1 634 61 61 PRO CD C 48.636 0.300 1 635 61 61 PRO CG C 24.612 0.300 1 636 62 62 LYS H H 7.657 0.030 1 637 62 62 LYS HA H 4.421 0.030 1 638 62 62 LYS HB2 H 1.613 0.030 2 639 62 62 LYS HB3 H 1.488 0.030 2 640 62 62 LYS HD2 H 1.537 0.030 1 641 62 62 LYS HD3 H 1.537 0.030 1 642 62 62 LYS HE2 H 2.832 0.030 1 643 62 62 LYS HE3 H 2.832 0.030 1 644 62 62 LYS HG2 H 1.190 0.030 2 645 62 62 LYS HG3 H 0.984 0.030 2 646 62 62 LYS C C 172.106 0.300 1 647 62 62 LYS CA C 52.776 0.300 1 648 62 62 LYS CB C 32.096 0.300 1 649 62 62 LYS CD C 26.811 0.300 1 650 62 62 LYS CE C 39.641 0.300 1 651 62 62 LYS CG C 22.057 0.300 1 652 62 62 LYS N N 116.767 0.300 1 653 63 63 ILE H H 8.572 0.030 1 654 63 63 ILE HA H 3.640 0.030 1 655 63 63 ILE HB H 1.470 0.030 1 656 63 63 ILE HD1 H 0.609 0.030 1 657 63 63 ILE HG12 H 0.444 0.030 2 658 63 63 ILE HG13 H 1.402 0.030 2 659 63 63 ILE HG2 H 0.546 0.030 1 660 63 63 ILE C C 173.401 0.300 1 661 63 63 ILE CA C 58.877 0.300 1 662 63 63 ILE CB C 37.495 0.300 1 663 63 63 ILE CD1 C 11.579 0.300 1 664 63 63 ILE CG1 C 25.562 0.300 1 665 63 63 ILE CG2 C 15.106 0.300 1 666 63 63 ILE N N 125.789 0.300 1 667 64 64 ASN H H 9.385 0.030 1 668 64 64 ASN HA H 4.415 0.030 1 669 64 64 ASN HB2 H 2.439 0.030 2 670 64 64 ASN HB3 H 2.198 0.030 2 671 64 64 ASN HD21 H 7.330 0.030 2 672 64 64 ASN HD22 H 8.018 0.030 2 673 64 64 ASN C C 173.918 0.300 1 674 64 64 ASN CA C 51.327 0.300 1 675 64 64 ASN CB C 37.342 0.300 1 676 64 64 ASN N N 125.765 0.300 1 677 64 64 ASN ND2 N 117.215 0.300 1 678 65 65 ARG HA H 4.419 0.030 1 679 65 65 ARG HB2 H 1.570 0.030 2 680 65 65 ARG HB3 H 1.764 0.030 2 681 65 65 ARG HD2 H 3.007 0.030 2 682 65 65 ARG HG2 H 1.478 0.030 2 683 65 65 ARG HG3 H 1.387 0.030 2 684 65 65 ARG C C 173.091 0.300 1 685 65 65 ARG CA C 52.636 0.300 1 686 65 65 ARG CB C 26.882 0.300 1 687 65 65 ARG CD C 40.635 0.300 1 688 65 65 ARG CG C 25.109 0.300 1 689 66 66 SER H H 7.637 0.030 1 690 66 66 SER HA H 4.577 0.030 1 691 66 66 SER HB2 H 3.433 0.030 2 692 66 66 SER HB3 H 3.711 0.030 2 693 66 66 SER C C 172.463 0.300 1 694 66 66 SER CA C 54.571 0.300 1 695 66 66 SER CB C 61.925 0.300 1 696 66 66 SER N N 115.618 0.300 1 697 67 67 MET H H 8.570 0.030 1 698 67 67 MET HA H 4.466 0.030 1 699 67 67 MET HB2 H 2.470 0.030 2 700 67 67 MET HB3 H 2.629 0.030 2 701 67 67 MET HE H 2.016 0.030 1 702 67 67 MET HG2 H 2.185 0.030 2 703 67 67 MET HG3 H 1.898 0.030 2 704 67 67 MET C C 175.016 0.300 1 705 67 67 MET CA C 52.695 0.300 1 706 67 67 MET CB C 29.979 0.300 1 707 67 67 MET CE C 14.668 0.300 1 708 67 67 MET CG C 29.941 0.300 1 709 67 67 MET N N 119.888 0.300 1 710 68 68 GLN H H 8.570 0.030 1 711 68 68 GLN HA H 4.171 0.030 1 712 68 68 GLN HB2 H 1.470 0.030 2 713 68 68 GLN HB3 H 1.312 0.030 2 714 68 68 GLN HE21 H 7.401 0.030 2 715 68 68 GLN HE22 H 6.869 0.030 2 716 68 68 GLN HG2 H 2.242 0.030 1 717 68 68 GLN HG3 H 2.242 0.030 1 718 68 68 GLN C C 176.211 0.300 1 719 68 68 GLN CA C 53.766 0.300 1 720 68 68 GLN CB C 25.797 0.300 1 721 68 68 GLN CG C 31.400 0.300 1 722 68 68 GLN N N 119.894 0.300 1 723 68 68 GLN NE2 N 111.935 0.300 1 724 69 69 ASN H H 9.080 0.030 1 725 69 69 ASN HA H 4.245 0.030 1 726 69 69 ASN HB2 H 2.912 0.030 2 727 69 69 ASN HB3 H 2.780 0.030 2 728 69 69 ASN HD21 H 7.680 0.030 2 729 69 69 ASN HD22 H 7.002 0.030 2 730 69 69 ASN C C 175.821 0.300 1 731 69 69 ASN CA C 54.597 0.300 1 732 69 69 ASN CB C 35.038 0.300 1 733 69 69 ASN N N 124.227 0.300 1 734 69 69 ASN ND2 N 111.180 0.300 1 735 70 70 TRP H H 8.224 0.030 1 736 70 70 TRP HA H 4.198 0.030 1 737 70 70 TRP HB2 H 3.223 0.030 2 738 70 70 TRP HB3 H 3.096 0.030 2 739 70 70 TRP HD1 H 6.913 0.030 1 740 70 70 TRP HE1 H 9.702 0.030 1 741 70 70 TRP HE3 H 7.295 0.030 1 742 70 70 TRP HH2 H 7.139 0.030 1 743 70 70 TRP HZ2 H 7.320 0.030 1 744 70 70 TRP HZ3 H 7.066 0.030 1 745 70 70 TRP C C 176.749 0.300 1 746 70 70 TRP CA C 57.883 0.300 1 747 70 70 TRP CB C 24.831 0.300 1 748 70 70 TRP CD1 C 125.068 0.300 1 749 70 70 TRP CE3 C 117.737 0.300 1 750 70 70 TRP CH2 C 122.649 0.300 1 751 70 70 TRP CZ2 C 112.568 0.300 1 752 70 70 TRP CZ3 C 120.322 0.300 1 753 70 70 TRP N N 115.992 0.300 1 754 70 70 TRP NE1 N 129.455 0.300 1 755 71 71 HIS H H 6.318 0.030 1 756 71 71 HIS HA H 4.054 0.030 1 757 71 71 HIS HB2 H 2.975 0.030 2 758 71 71 HIS HB3 H 2.686 0.030 2 759 71 71 HIS HD2 H 6.237 0.030 1 760 71 71 HIS HE1 H 7.598 0.030 1 761 71 71 HIS C C 176.484 0.300 1 762 71 71 HIS CA C 55.895 0.300 1 763 71 71 HIS CB C 29.766 0.300 1 764 71 71 HIS CD2 C 113.844 0.300 1 765 71 71 HIS CE1 C 136.022 0.300 1 766 71 71 HIS N N 119.864 0.300 1 767 72 72 GLN H H 7.369 0.030 1 768 72 72 GLN HA H 4.112 0.030 1 769 72 72 GLN HB2 H 2.209 0.030 2 770 72 72 GLN HB3 H 2.438 0.030 2 771 72 72 GLN HE21 H 7.039 0.030 2 772 72 72 GLN HE22 H 6.606 0.030 2 773 72 72 GLN HG2 H 2.624 0.030 2 774 72 72 GLN HG3 H 2.508 0.030 2 775 72 72 GLN C C 176.388 0.300 1 776 72 72 GLN CA C 57.086 0.300 1 777 72 72 GLN CB C 26.806 0.300 1 778 72 72 GLN CG C 32.019 0.300 1 779 72 72 GLN N N 121.745 0.300 1 780 72 72 GLN NE2 N 107.378 0.300 1 781 73 73 LEU H H 8.122 0.030 1 782 73 73 LEU HA H 3.602 0.030 1 783 73 73 LEU HB2 H 1.170 0.030 2 784 73 73 LEU HB3 H 1.440 0.030 2 785 73 73 LEU HD1 H 0.313 0.030 1 786 73 73 LEU HD2 H 0.477 0.030 1 787 73 73 LEU HG H 0.478 0.030 1 788 73 73 LEU C C 177.810 0.300 1 789 73 73 LEU CA C 55.768 0.300 1 790 73 73 LEU CB C 39.301 0.300 1 791 73 73 LEU CD1 C 21.039 0.300 2 792 73 73 LEU CD2 C 22.624 0.300 2 793 73 73 LEU CG C 24.868 0.300 1 794 73 73 LEU N N 118.830 0.300 1 795 74 74 GLU H H 7.716 0.030 1 796 74 74 GLU HA H 3.972 0.030 1 797 74 74 GLU HB2 H 1.939 0.030 2 798 74 74 GLU HB3 H 1.883 0.030 2 799 74 74 GLU HG2 H 2.191 0.030 2 800 74 74 GLU HG3 H 2.084 0.030 2 801 74 74 GLU C C 176.208 0.300 1 802 74 74 GLU CA C 57.305 0.300 1 803 74 74 GLU CB C 27.331 0.300 1 804 74 74 GLU CG C 34.500 0.300 1 805 74 74 GLU N N 120.458 0.300 1 806 75 75 ASN H H 7.476 0.030 1 807 75 75 ASN HA H 4.543 0.030 1 808 75 75 ASN HB2 H 2.749 0.030 2 809 75 75 ASN HB3 H 3.795 0.030 2 810 75 75 ASN HD21 H 8.292 0.030 2 811 75 75 ASN HD22 H 8.138 0.030 2 812 75 75 ASN C C 175.970 0.300 1 813 75 75 ASN CA C 53.353 0.300 1 814 75 75 ASN CB C 35.773 0.300 1 815 75 75 ASN N N 116.811 0.300 1 816 75 75 ASN ND2 N 110.790 0.300 1 817 76 76 LEU H H 7.914 0.030 1 818 76 76 LEU HA H 4.148 0.030 1 819 76 76 LEU HB2 H 1.292 0.030 2 820 76 76 LEU HB3 H 2.162 0.030 2 821 76 76 LEU HD1 H 1.327 0.030 1 822 76 76 LEU HD2 H 0.976 0.030 1 823 76 76 LEU HG H 1.997 0.030 1 824 76 76 LEU C C 176.580 0.300 1 825 76 76 LEU CA C 55.921 0.300 1 826 76 76 LEU CB C 39.795 0.300 1 827 76 76 LEU CD1 C 24.748 0.300 2 828 76 76 LEU CD2 C 21.317 0.300 2 829 76 76 LEU CG C 24.725 0.300 1 830 76 76 LEU N N 117.797 0.300 1 831 77 77 SER H H 8.799 0.030 1 832 77 77 SER HA H 4.114 0.030 1 833 77 77 SER HB2 H 3.959 0.030 2 834 77 77 SER HB3 H 3.910 0.030 2 835 77 77 SER C C 175.592 0.300 1 836 77 77 SER CA C 59.798 0.300 1 837 77 77 SER CB C 60.303 0.300 1 838 77 77 SER N N 114.953 0.300 1 839 78 78 ASN H H 8.664 0.030 1 840 78 78 ASN HA H 4.544 0.030 1 841 78 78 ASN HB2 H 2.767 0.030 2 842 78 78 ASN HB3 H 3.036 0.030 2 843 78 78 ASN HD21 H 8.324 0.030 2 844 78 78 ASN HD22 H 7.122 0.030 2 845 78 78 ASN C C 176.667 0.300 1 846 78 78 ASN CA C 53.417 0.300 1 847 78 78 ASN CB C 35.103 0.300 1 848 78 78 ASN N N 119.998 0.300 1 849 78 78 ASN ND2 N 113.951 0.300 1 850 79 79 PHE H H 8.633 0.030 1 851 79 79 PHE HA H 4.000 0.030 1 852 79 79 PHE HB2 H 3.398 0.030 2 853 79 79 PHE HB3 H 3.542 0.030 2 854 79 79 PHE HD1 H 6.919 0.030 1 855 79 79 PHE HD2 H 6.919 0.030 1 856 79 79 PHE HE1 H 7.114 0.030 1 857 79 79 PHE HE2 H 7.114 0.030 1 858 79 79 PHE C C 174.039 0.300 1 859 79 79 PHE CA C 59.545 0.300 1 860 79 79 PHE CB C 36.356 0.300 1 861 79 79 PHE CD1 C 128.948 0.300 1 862 79 79 PHE CD2 C 128.948 0.300 1 863 79 79 PHE CE1 C 127.818 0.300 1 864 79 79 PHE CE2 C 127.818 0.300 1 865 79 79 PHE N N 124.943 0.300 1 866 80 80 ILE H H 8.331 0.030 1 867 80 80 ILE HA H 3.067 0.030 1 868 80 80 ILE HB H 1.710 0.030 1 869 80 80 ILE HD1 H 0.419 0.030 1 870 80 80 ILE HG12 H 1.543 0.030 2 871 80 80 ILE HG13 H 0.203 0.030 2 872 80 80 ILE HG2 H 0.787 0.030 1 873 80 80 ILE C C 176.125 0.300 1 874 80 80 ILE CA C 63.774 0.300 1 875 80 80 ILE CB C 35.944 0.300 1 876 80 80 ILE CD1 C 11.596 0.300 1 877 80 80 ILE CG1 C 27.761 0.300 1 878 80 80 ILE CG2 C 15.620 0.300 1 879 80 80 ILE N N 120.789 0.300 1 880 81 81 LYS H H 8.030 0.030 1 881 81 81 LYS HA H 3.864 0.030 1 882 81 81 LYS HB2 H 1.860 0.030 1 883 81 81 LYS HB3 H 1.860 0.030 1 884 81 81 LYS HD2 H 1.669 0.030 1 885 81 81 LYS HD3 H 1.669 0.030 1 886 81 81 LYS HE2 H 2.924 0.030 1 887 81 81 LYS HE3 H 2.924 0.030 1 888 81 81 LYS HG2 H 1.592 0.030 2 889 81 81 LYS HG3 H 1.414 0.030 2 890 81 81 LYS C C 177.861 0.300 1 891 81 81 LYS CA C 57.635 0.300 1 892 81 81 LYS CB C 30.282 0.300 1 893 81 81 LYS CD C 27.304 0.300 1 894 81 81 LYS CE C 39.848 0.300 1 895 81 81 LYS CG C 23.364 0.300 1 896 81 81 LYS N N 117.635 0.300 1 897 82 82 ALA H H 7.856 0.030 1 898 82 82 ALA HA H 4.211 0.030 1 899 82 82 ALA HB H 1.363 0.030 1 900 82 82 ALA C C 178.488 0.300 1 901 82 82 ALA CA C 52.097 0.300 1 902 82 82 ALA CB C 16.673 0.300 1 903 82 82 ALA N N 122.231 0.300 1 904 83 83 MET H H 8.081 0.030 1 905 83 83 MET HA H 3.587 0.030 1 906 83 83 MET HB2 H 1.593 0.030 2 907 83 83 MET HB3 H 2.514 0.030 2 908 83 83 MET HE H 1.813 0.030 1 909 83 83 MET HG2 H 1.773 0.030 2 910 83 83 MET HG3 H 1.622 0.030 2 911 83 83 MET C C 176.692 0.300 1 912 83 83 MET CA C 59.067 0.300 1 913 83 83 MET CB C 32.030 0.300 1 914 83 83 MET CE C 15.591 0.300 1 915 83 83 MET CG C 30.193 0.300 1 916 83 83 MET N N 120.293 0.300 1 917 84 84 VAL H H 7.658 0.030 1 918 84 84 VAL HA H 3.707 0.030 1 919 84 84 VAL HB H 2.261 0.030 1 920 84 84 VAL HG1 H 0.894 0.030 1 921 84 84 VAL HG2 H 0.977 0.030 1 922 84 84 VAL C C 179.392 0.300 1 923 84 84 VAL CA C 64.640 0.300 1 924 84 84 VAL CB C 29.073 0.300 1 925 84 84 VAL CG1 C 18.666 0.300 2 926 84 84 VAL CG2 C 21.397 0.300 2 927 84 84 VAL N N 119.961 0.300 1 928 85 85 SER H H 8.005 0.030 1 929 85 85 SER HA H 4.174 0.030 1 930 85 85 SER HB2 H 3.961 0.030 1 931 85 85 SER HB3 H 3.961 0.030 1 932 85 85 SER C C 173.244 0.300 1 933 85 85 SER CA C 59.387 0.300 1 934 85 85 SER CB C 60.371 0.300 1 935 85 85 SER N N 118.063 0.300 1 936 86 86 TYR H H 7.969 0.030 1 937 86 86 TYR HA H 4.299 0.030 1 938 86 86 TYR HB2 H 2.858 0.030 2 939 86 86 TYR HB3 H 3.053 0.030 2 940 86 86 TYR HD1 H 6.816 0.030 1 941 86 86 TYR HD2 H 6.816 0.030 1 942 86 86 TYR HE1 H 6.556 0.030 1 943 86 86 TYR HE2 H 6.556 0.030 1 944 86 86 TYR C C 173.108 0.300 1 945 86 86 TYR CA C 56.070 0.300 1 946 86 86 TYR CB C 38.044 0.300 1 947 86 86 TYR CD1 C 130.791 0.300 1 948 86 86 TYR CD2 C 130.791 0.300 1 949 86 86 TYR CE1 C 115.294 0.300 1 950 86 86 TYR CE2 C 115.294 0.300 1 951 86 86 TYR N N 121.538 0.300 1 952 87 87 GLY H H 7.629 0.030 1 953 87 87 GLY HA2 H 3.607 0.030 2 954 87 87 GLY HA3 H 4.207 0.030 2 955 87 87 GLY C C 173.640 0.300 1 956 87 87 GLY CA C 42.207 0.300 1 957 87 87 GLY N N 101.929 0.300 1 958 88 88 MET H H 7.758 0.030 1 959 88 88 MET HA H 4.352 0.030 1 960 88 88 MET HB2 H 1.799 0.030 2 961 88 88 MET HB3 H 1.558 0.030 2 962 88 88 MET HE H 2.132 0.030 1 963 88 88 MET HG2 H 2.471 0.030 2 964 88 88 MET HG3 H 2.597 0.030 2 965 88 88 MET C C 173.555 0.300 1 966 88 88 MET CA C 52.393 0.300 1 967 88 88 MET CB C 28.624 0.300 1 968 88 88 MET CE C 14.967 0.300 1 969 88 88 MET CG C 30.353 0.300 1 970 88 88 MET N N 118.102 0.300 1 971 89 89 ASN H H 9.166 0.030 1 972 89 89 ASN HA H 4.803 0.030 1 973 89 89 ASN HB2 H 2.815 0.030 2 974 89 89 ASN HB3 H 2.648 0.030 2 975 89 89 ASN HD21 H 6.918 0.030 2 976 89 89 ASN HD22 H 7.718 0.030 2 977 89 89 ASN C C 173.126 0.300 1 978 89 89 ASN CA C 49.227 0.300 1 979 89 89 ASN CB C 36.696 0.300 1 980 89 89 ASN N N 122.815 0.300 1 981 89 89 ASN ND2 N 113.868 0.300 1 982 90 90 PRO HA H 3.988 0.030 1 983 90 90 PRO HB2 H 2.272 0.030 2 984 90 90 PRO HB3 H 1.845 0.030 2 985 90 90 PRO HD2 H 3.731 0.030 2 986 90 90 PRO HD3 H 3.903 0.030 2 987 90 90 PRO HG2 H 1.925 0.030 2 988 90 90 PRO HG3 H 2.073 0.030 2 989 90 90 PRO C C 176.787 0.300 1 990 90 90 PRO CA C 63.448 0.300 1 991 90 90 PRO CB C 29.778 0.300 1 992 90 90 PRO CD C 48.318 0.300 1 993 90 90 PRO CG C 25.352 0.300 1 994 91 91 VAL H H 7.770 0.030 1 995 91 91 VAL HA H 3.965 0.030 1 996 91 91 VAL HB H 2.107 0.030 1 997 91 91 VAL HG1 H 0.854 0.030 1 998 91 91 VAL HG2 H 0.854 0.030 1 999 91 91 VAL C C 174.004 0.300 1 1000 91 91 VAL CA C 61.357 0.300 1 1001 91 91 VAL CB C 29.065 0.300 1 1002 91 91 VAL CG1 C 18.058 0.300 1 1003 91 91 VAL CG2 C 18.058 0.300 1 1004 91 91 VAL N N 112.427 0.300 1 1005 92 92 ASP H H 7.884 0.030 1 1006 92 92 ASP HA H 4.753 0.030 1 1007 92 92 ASP HB2 H 2.925 0.030 2 1008 92 92 ASP HB3 H 2.617 0.030 2 1009 92 92 ASP C C 173.327 0.300 1 1010 92 92 ASP CA C 51.817 0.300 1 1011 92 92 ASP CB C 39.886 0.300 1 1012 92 92 ASP N N 118.725 0.300 1 1013 93 93 LEU H H 6.882 0.030 1 1014 93 93 LEU HA H 4.354 0.030 1 1015 93 93 LEU HB2 H 1.736 0.030 2 1016 93 93 LEU HB3 H 1.230 0.030 2 1017 93 93 LEU HD1 H 0.691 0.030 1 1018 93 93 LEU HD2 H 0.614 0.030 1 1019 93 93 LEU HG H 1.804 0.030 1 1020 93 93 LEU C C 173.377 0.300 1 1021 93 93 LEU CA C 51.479 0.300 1 1022 93 93 LEU CB C 40.583 0.300 1 1023 93 93 LEU CD1 C 23.502 0.300 2 1024 93 93 LEU CD2 C 20.458 0.300 2 1025 93 93 LEU CG C 23.905 0.300 1 1026 93 93 LEU N N 116.007 0.300 1 1027 94 94 PHE H H 6.437 0.030 1 1028 94 94 PHE HA H 4.894 0.030 1 1029 94 94 PHE HB2 H 2.829 0.030 2 1030 94 94 PHE HB3 H 3.691 0.030 2 1031 94 94 PHE HD1 H 7.592 0.030 1 1032 94 94 PHE HD2 H 7.592 0.030 1 1033 94 94 PHE HE1 H 7.255 0.030 1 1034 94 94 PHE HE2 H 7.255 0.030 1 1035 94 94 PHE HZ H 7.139 0.030 1 1036 94 94 PHE C C 171.183 0.300 1 1037 94 94 PHE CA C 52.690 0.300 1 1038 94 94 PHE CB C 37.847 0.300 1 1039 94 94 PHE CD1 C 131.794 0.300 1 1040 94 94 PHE CD2 C 131.794 0.300 1 1041 94 94 PHE CE1 C 127.801 0.300 1 1042 94 94 PHE CE2 C 127.801 0.300 1 1043 94 94 PHE CZ C 125.966 0.300 1 1044 94 94 PHE N N 112.178 0.300 1 1045 95 95 GLU H H 8.983 0.030 1 1046 95 95 GLU HA H 4.523 0.030 1 1047 95 95 GLU HB2 H 2.127 0.030 2 1048 95 95 GLU HB3 H 1.856 0.030 2 1049 95 95 GLU HG2 H 2.227 0.030 2 1050 95 95 GLU HG3 H 2.322 0.030 2 1051 95 95 GLU C C 176.731 0.300 1 1052 95 95 GLU CA C 52.445 0.300 1 1053 95 95 GLU CB C 28.831 0.300 1 1054 95 95 GLU CG C 34.348 0.300 1 1055 95 95 GLU N N 119.588 0.300 1 1056 96 96 ALA H H 9.165 0.030 1 1057 96 96 ALA HA H 3.893 0.030 1 1058 96 96 ALA HB H 1.329 0.030 1 1059 96 96 ALA C C 178.374 0.300 1 1060 96 96 ALA CA C 55.247 0.300 1 1061 96 96 ALA CB C 16.080 0.300 1 1062 96 96 ALA N N 125.980 0.300 1 1063 97 97 ASN H H 9.238 0.030 1 1064 97 97 ASN HA H 4.571 0.030 1 1065 97 97 ASN HB2 H 2.802 0.030 1 1066 97 97 ASN HB3 H 2.802 0.030 1 1067 97 97 ASN HD21 H 6.595 0.030 2 1068 97 97 ASN HD22 H 7.493 0.030 2 1069 97 97 ASN C C 175.722 0.300 1 1070 97 97 ASN CA C 54.231 0.300 1 1071 97 97 ASN CB C 35.971 0.300 1 1072 97 97 ASN N N 113.976 0.300 1 1073 97 97 ASN ND2 N 110.177 0.300 1 1074 98 98 ASP H H 8.471 0.030 1 1075 98 98 ASP HA H 4.079 0.030 1 1076 98 98 ASP HB2 H 3.146 0.030 2 1077 98 98 ASP HB3 H 2.829 0.030 2 1078 98 98 ASP C C 174.296 0.300 1 1079 98 98 ASP CA C 54.874 0.300 1 1080 98 98 ASP CB C 38.360 0.300 1 1081 98 98 ASP N N 122.005 0.300 1 1082 99 99 LEU H H 6.785 0.030 1 1083 99 99 LEU HA H 4.754 0.030 1 1084 99 99 LEU HB2 H 1.853 0.030 2 1085 99 99 LEU HB3 H 1.341 0.030 2 1086 99 99 LEU HD1 H 0.887 0.030 1 1087 99 99 LEU HD2 H 0.824 0.030 1 1088 99 99 LEU HG H 1.403 0.030 1 1089 99 99 LEU C C 177.021 0.300 1 1090 99 99 LEU CA C 53.016 0.300 1 1091 99 99 LEU CB C 42.603 0.300 1 1092 99 99 LEU CD1 C 21.692 0.300 2 1093 99 99 LEU CD2 C 24.420 0.300 2 1094 99 99 LEU CG C 25.914 0.300 1 1095 99 99 LEU N N 112.757 0.300 1 1096 100 100 PHE H H 9.350 0.030 1 1097 100 100 PHE HA H 3.841 0.030 1 1098 100 100 PHE HB2 H 3.009 0.030 1 1099 100 100 PHE HB3 H 3.009 0.030 1 1100 100 100 PHE HD1 H 7.359 0.030 1 1101 100 100 PHE HD2 H 7.359 0.030 1 1102 100 100 PHE HE1 H 7.385 0.030 1 1103 100 100 PHE HE2 H 7.385 0.030 1 1104 100 100 PHE HZ H 7.107 0.030 1 1105 100 100 PHE C C 173.144 0.300 1 1106 100 100 PHE CA C 61.380 0.300 1 1107 100 100 PHE CB C 38.572 0.300 1 1108 100 100 PHE CD1 C 129.987 0.300 1 1109 100 100 PHE CD2 C 129.987 0.300 1 1110 100 100 PHE CE1 C 129.892 0.300 1 1111 100 100 PHE CE2 C 129.892 0.300 1 1112 100 100 PHE CZ C 127.252 0.300 1 1113 100 100 PHE N N 120.959 0.300 1 1114 101 101 GLU H H 7.477 0.030 1 1115 101 101 GLU HA H 4.511 0.030 1 1116 101 101 GLU HB2 H 2.261 0.030 2 1117 101 101 GLU HB3 H 1.732 0.030 2 1118 101 101 GLU HG2 H 2.367 0.030 2 1119 101 101 GLU HG3 H 2.155 0.030 2 1120 101 101 GLU C C 174.598 0.300 1 1121 101 101 GLU CA C 51.915 0.300 1 1122 101 101 GLU CB C 26.895 0.300 1 1123 101 101 GLU CG C 33.375 0.300 1 1124 101 101 GLU N N 110.657 0.300 1 1125 102 102 SER H H 7.290 0.030 1 1126 102 102 SER HA H 3.641 0.030 1 1127 102 102 SER HB2 H 3.944 0.030 2 1128 102 102 SER HB3 H 3.644 0.030 2 1129 102 102 SER C C 173.870 0.300 1 1130 102 102 SER CA C 56.465 0.300 1 1131 102 102 SER CB C 59.263 0.300 1 1132 102 102 SER N N 111.364 0.300 1 1133 103 103 GLY H H 7.750 0.030 1 1134 103 103 GLY HA2 H 3.929 0.030 2 1135 103 103 GLY HA3 H 3.801 0.030 2 1136 103 103 GLY C C 173.220 0.300 1 1137 103 103 GLY CA C 44.932 0.300 1 1138 103 103 GLY N N 106.336 0.300 1 1139 104 104 ASN H H 8.734 0.030 1 1140 104 104 ASN HA H 4.626 0.030 1 1141 104 104 ASN HB2 H 2.844 0.030 1 1142 104 104 ASN HB3 H 2.844 0.030 1 1143 104 104 ASN HD21 H 7.842 0.030 2 1144 104 104 ASN HD22 H 6.855 0.030 2 1145 104 104 ASN C C 172.426 0.300 1 1146 104 104 ASN CA C 50.455 0.300 1 1147 104 104 ASN CB C 33.943 0.300 1 1148 104 104 ASN N N 116.103 0.300 1 1149 104 104 ASN ND2 N 111.651 0.300 1 1150 105 105 MET H H 9.122 0.030 1 1151 105 105 MET HA H 4.577 0.030 1 1152 105 105 MET HB2 H 1.868 0.030 2 1153 105 105 MET HB3 H 1.815 0.030 2 1154 105 105 MET HE H 2.000 0.030 1 1155 105 105 MET HG2 H 2.845 0.030 2 1156 105 105 MET HG3 H 2.211 0.030 2 1157 105 105 MET C C 177.626 0.300 1 1158 105 105 MET CA C 52.875 0.300 1 1159 105 105 MET CB C 26.674 0.300 1 1160 105 105 MET CE C 11.857 0.300 1 1161 105 105 MET CG C 30.126 0.300 1 1162 105 105 MET N N 122.442 0.300 1 1163 106 106 THR H H 8.452 0.030 1 1164 106 106 THR HA H 4.264 0.030 1 1165 106 106 THR HB H 3.906 0.030 1 1166 106 106 THR HG2 H 1.046 0.030 1 1167 106 106 THR C C 173.207 0.300 1 1168 106 106 THR CA C 65.553 0.300 1 1169 106 106 THR CB C 65.594 0.300 1 1170 106 106 THR CG2 C 19.955 0.300 1 1171 106 106 THR N N 118.464 0.300 1 1172 107 107 GLN H H 7.314 0.030 1 1173 107 107 GLN HA H 3.968 0.030 1 1174 107 107 GLN HB2 H 1.782 0.030 2 1175 107 107 GLN HB3 H 2.072 0.030 2 1176 107 107 GLN HE21 H 6.691 0.030 2 1177 107 107 GLN HE22 H 7.522 0.030 2 1178 107 107 GLN HG2 H 2.425 0.030 2 1179 107 107 GLN HG3 H 2.729 0.030 2 1180 107 107 GLN C C 176.089 0.300 1 1181 107 107 GLN CA C 55.088 0.300 1 1182 107 107 GLN CB C 25.070 0.300 1 1183 107 107 GLN CG C 30.056 0.300 1 1184 107 107 GLN N N 121.377 0.300 1 1185 107 107 GLN NE2 N 110.662 0.300 1 1186 108 108 VAL H H 7.282 0.030 1 1187 108 108 VAL HA H 3.048 0.030 1 1188 108 108 VAL HB H 2.203 0.030 1 1189 108 108 VAL HG1 H 0.405 0.030 1 1190 108 108 VAL HG2 H 0.429 0.030 1 1191 108 108 VAL C C 174.925 0.300 1 1192 108 108 VAL CA C 64.090 0.300 1 1193 108 108 VAL CB C 28.617 0.300 1 1194 108 108 VAL CG1 C 17.898 0.300 2 1195 108 108 VAL CG2 C 20.106 0.300 2 1196 108 108 VAL N N 118.025 0.300 1 1197 109 109 GLN H H 8.092 0.030 1 1198 109 109 GLN HA H 3.650 0.030 1 1199 109 109 GLN HB2 H 2.043 0.030 2 1200 109 109 GLN HB3 H 2.311 0.030 2 1201 109 109 GLN HE21 H 5.670 0.030 2 1202 109 109 GLN HE22 H 6.375 0.030 2 1203 109 109 GLN HG2 H 1.909 0.030 2 1204 109 109 GLN HG3 H 1.757 0.030 2 1205 109 109 GLN C C 175.045 0.300 1 1206 109 109 GLN CA C 58.616 0.300 1 1207 109 109 GLN CB C 27.466 0.300 1 1208 109 109 GLN CG C 33.485 0.300 1 1209 109 109 GLN N N 118.313 0.300 1 1210 109 109 GLN NE2 N 109.201 0.300 1 1211 110 110 VAL H H 8.440 0.030 1 1212 110 110 VAL HA H 3.480 0.030 1 1213 110 110 VAL HB H 2.084 0.030 1 1214 110 110 VAL HG1 H 1.016 0.030 1 1215 110 110 VAL HG2 H 0.930 0.030 1 1216 110 110 VAL C C 177.290 0.300 1 1217 110 110 VAL CA C 64.565 0.300 1 1218 110 110 VAL CB C 29.703 0.300 1 1219 110 110 VAL CG1 C 20.149 0.300 2 1220 110 110 VAL CG2 C 18.784 0.300 2 1221 110 110 VAL N N 117.849 0.300 1 1222 111 111 SER H H 8.448 0.030 1 1223 111 111 SER HA H 4.349 0.030 1 1224 111 111 SER HB2 H 4.129 0.030 2 1225 111 111 SER HB3 H 4.015 0.030 2 1226 111 111 SER C C 175.498 0.300 1 1227 111 111 SER CA C 59.309 0.300 1 1228 111 111 SER CB C 62.536 0.300 1 1229 111 111 SER N N 116.053 0.300 1 1230 112 112 LEU H H 8.571 0.030 1 1231 112 112 LEU HA H 4.354 0.030 1 1232 112 112 LEU HB2 H 1.507 0.030 2 1233 112 112 LEU HB3 H 2.129 0.030 2 1234 112 112 LEU HD1 H 0.874 0.030 1 1235 112 112 LEU HD2 H 1.130 0.030 1 1236 112 112 LEU HG H 2.277 0.030 1 1237 112 112 LEU C C 177.389 0.300 1 1238 112 112 LEU CA C 55.511 0.300 1 1239 112 112 LEU CB C 40.630 0.300 1 1240 112 112 LEU CD1 C 24.248 0.300 2 1241 112 112 LEU CD2 C 20.329 0.300 2 1242 112 112 LEU CG C 24.643 0.300 1 1243 112 112 LEU N N 117.329 0.300 1 1244 113 113 LEU H H 8.512 0.030 1 1245 113 113 LEU HA H 3.864 0.030 1 1246 113 113 LEU HB2 H 1.294 0.030 2 1247 113 113 LEU HB3 H 1.875 0.030 2 1248 113 113 LEU HD1 H 0.696 0.030 1 1249 113 113 LEU HD2 H 0.698 0.030 1 1250 113 113 LEU HG H 1.728 0.030 1 1251 113 113 LEU C C 178.585 0.300 1 1252 113 113 LEU CA C 55.463 0.300 1 1253 113 113 LEU CB C 39.306 0.300 1 1254 113 113 LEU CD1 C 24.125 0.300 2 1255 113 113 LEU CD2 C 20.243 0.300 2 1256 113 113 LEU CG C 24.639 0.300 1 1257 113 113 LEU N N 118.869 0.300 1 1258 114 114 ALA H H 8.145 0.030 1 1259 114 114 ALA HA H 4.138 0.030 1 1260 114 114 ALA HB H 1.532 0.030 1 1261 114 114 ALA C C 178.875 0.300 1 1262 114 114 ALA CA C 52.480 0.300 1 1263 114 114 ALA CB C 14.880 0.300 1 1264 114 114 ALA N N 124.528 0.300 1 1265 115 115 LEU H H 8.706 0.030 1 1266 115 115 LEU HA H 4.406 0.030 1 1267 115 115 LEU HB2 H 2.473 0.030 2 1268 115 115 LEU HB3 H 1.707 0.030 2 1269 115 115 LEU HD1 H 0.903 0.030 1 1270 115 115 LEU HD2 H 1.178 0.030 1 1271 115 115 LEU HG H 1.772 0.030 1 1272 115 115 LEU C C 175.970 0.300 1 1273 115 115 LEU CA C 56.020 0.300 1 1274 115 115 LEU CB C 39.352 0.300 1 1275 115 115 LEU CD1 C 21.725 0.300 2 1276 115 115 LEU CD2 C 24.115 0.300 2 1277 115 115 LEU CG C 25.227 0.300 1 1278 115 115 LEU N N 124.937 0.300 1 1279 116 116 ALA H H 8.132 0.030 1 1280 116 116 ALA HA H 3.238 0.030 1 1281 116 116 ALA HB H 0.088 0.030 1 1282 116 116 ALA C C 179.099 0.300 1 1283 116 116 ALA CA C 53.156 0.300 1 1284 116 116 ALA CB C 13.131 0.300 1 1285 116 116 ALA N N 121.409 0.300 1 1286 117 117 GLY H H 7.950 0.030 1 1287 117 117 GLY HA2 H 3.749 0.030 2 1288 117 117 GLY HA3 H 3.657 0.030 2 1289 117 117 GLY C C 174.620 0.300 1 1290 117 117 GLY CA C 44.632 0.300 1 1291 117 117 GLY N N 104.992 0.300 1 1292 118 118 LYS H H 8.134 0.030 1 1293 118 118 LYS HA H 4.105 0.030 1 1294 118 118 LYS HB2 H 1.958 0.030 2 1295 118 118 LYS HB3 H 2.126 0.030 2 1296 118 118 LYS HD2 H 1.557 0.030 2 1297 118 118 LYS HD3 H 1.512 0.030 2 1298 118 118 LYS HE2 H 2.650 0.030 2 1299 118 118 LYS HE3 H 2.796 0.030 2 1300 118 118 LYS HG2 H 1.341 0.030 2 1301 118 118 LYS HG3 H 1.297 0.030 2 1302 118 118 LYS C C 177.242 0.300 1 1303 118 118 LYS CA C 55.882 0.300 1 1304 118 118 LYS CB C 29.553 0.300 1 1305 118 118 LYS CD C 25.843 0.300 1 1306 118 118 LYS CE C 39.551 0.300 1 1307 118 118 LYS CG C 22.372 0.300 1 1308 118 118 LYS N N 124.138 0.300 1 1309 119 119 ALA H H 8.824 0.030 1 1310 119 119 ALA HA H 4.625 0.030 1 1311 119 119 ALA HB H 1.716 0.030 1 1312 119 119 ALA C C 178.902 0.300 1 1313 119 119 ALA CA C 52.591 0.300 1 1314 119 119 ALA CB C 17.076 0.300 1 1315 119 119 ALA N N 122.298 0.300 1 1316 120 120 LYS H H 7.815 0.030 1 1317 120 120 LYS HA H 4.109 0.030 1 1318 120 120 LYS HB2 H 1.904 0.030 2 1319 120 120 LYS HB3 H 1.861 0.030 2 1320 120 120 LYS HD2 H 1.552 0.030 1 1321 120 120 LYS HD3 H 1.552 0.030 1 1322 120 120 LYS HE2 H 2.779 0.030 1 1323 120 120 LYS HE3 H 2.779 0.030 1 1324 120 120 LYS HG2 H 1.381 0.030 2 1325 120 120 LYS HG3 H 1.500 0.030 2 1326 120 120 LYS C C 177.027 0.300 1 1327 120 120 LYS CA C 56.634 0.300 1 1328 120 120 LYS CB C 30.119 0.300 1 1329 120 120 LYS CD C 26.985 0.300 1 1330 120 120 LYS CE C 39.540 0.300 1 1331 120 120 LYS CG C 22.869 0.300 1 1332 120 120 LYS N N 117.787 0.300 1 1333 121 121 THR H H 7.720 0.030 1 1334 121 121 THR HA H 4.141 0.030 1 1335 121 121 THR HB H 4.295 0.030 1 1336 121 121 THR HG2 H 1.222 0.030 1 1337 121 121 THR C C 174.016 0.300 1 1338 121 121 THR CA C 61.963 0.300 1 1339 121 121 THR CB C 67.086 0.300 1 1340 121 121 THR CG2 C 19.443 0.300 1 1341 121 121 THR N N 111.998 0.300 1 1342 122 122 LYS H H 7.944 0.030 1 1343 122 122 LYS HA H 4.158 0.030 1 1344 122 122 LYS HB2 H 1.874 0.030 1 1345 122 122 LYS HB3 H 1.874 0.030 1 1346 122 122 LYS HD2 H 1.400 0.030 1 1347 122 122 LYS HD3 H 1.400 0.030 1 1348 122 122 LYS HE2 H 2.553 0.030 2 1349 122 122 LYS HE3 H 2.374 0.030 2 1350 122 122 LYS HG2 H 1.319 0.030 2 1351 122 122 LYS HG3 H 1.436 0.030 2 1352 122 122 LYS C C 176.060 0.300 1 1353 122 122 LYS CA C 55.679 0.300 1 1354 122 122 LYS CB C 30.238 0.300 1 1355 122 122 LYS CD C 26.917 0.300 1 1356 122 122 LYS CE C 39.778 0.300 1 1357 122 122 LYS CG C 23.021 0.300 1 1358 122 122 LYS N N 121.757 0.300 1 1359 123 123 GLY H H 8.029 0.030 1 1360 123 123 GLY HA2 H 3.944 0.030 1 1361 123 123 GLY HA3 H 3.944 0.030 1 1362 123 123 GLY C C 172.553 0.300 1 1363 123 123 GLY CA C 43.308 0.300 1 1364 123 123 GLY N N 107.144 0.300 1 1365 124 124 LEU H H 7.914 0.030 1 1366 124 124 LEU HA H 4.323 0.030 1 1367 124 124 LEU HB2 H 1.657 0.030 2 1368 124 124 LEU HB3 H 1.560 0.030 2 1369 124 124 LEU HD1 H 0.853 0.030 1 1370 124 124 LEU HD2 H 0.887 0.030 1 1371 124 124 LEU HG H 1.643 0.030 1 1372 124 124 LEU C C 175.916 0.300 1 1373 124 124 LEU CA C 53.305 0.300 1 1374 124 124 LEU CB C 40.012 0.300 1 1375 124 124 LEU CD1 C 21.396 0.300 2 1376 124 124 LEU CD2 C 22.768 0.300 2 1377 124 124 LEU CG C 24.689 0.300 1 1378 124 124 LEU N N 121.184 0.300 1 1379 125 125 GLN H H 8.315 0.030 1 1380 125 125 GLN HA H 4.329 0.030 1 1381 125 125 GLN HB2 H 2.105 0.030 2 1382 125 125 GLN HB3 H 1.985 0.030 2 1383 125 125 GLN HE21 H 7.439 0.030 2 1384 125 125 GLN HE22 H 6.784 0.030 2 1385 125 125 GLN HG2 H 2.354 0.030 1 1386 125 125 GLN HG3 H 2.354 0.030 1 1387 125 125 GLN C C 174.184 0.300 1 1388 125 125 GLN CA C 53.641 0.300 1 1389 125 125 GLN CB C 27.025 0.300 1 1390 125 125 GLN CG C 31.585 0.300 1 1391 125 125 GLN N N 120.589 0.300 1 1392 125 125 GLN NE2 N 112.074 0.300 1 1393 126 126 SER H H 8.250 0.030 1 1394 126 126 SER HA H 4.398 0.030 1 1395 126 126 SER HB2 H 3.856 0.030 2 1396 126 126 SER C C 173.129 0.300 1 1397 126 126 SER CA C 56.368 0.300 1 1398 126 126 SER CB C 61.680 0.300 1 1399 126 126 SER N N 116.170 0.300 1 1400 127 127 GLY H H 8.362 0.030 1 1401 127 127 GLY HA2 H 3.926 0.030 1 1402 127 127 GLY HA3 H 3.926 0.030 1 1403 127 127 GLY C C 172.167 0.300 1 1404 127 127 GLY CA C 43.185 0.300 1 1405 127 127 GLY N N 110.447 0.300 1 1406 128 128 VAL H H 7.817 0.030 1 1407 128 128 VAL HA H 4.054 0.030 1 1408 128 128 VAL HB H 1.992 0.030 1 1409 128 128 VAL HG1 H 0.839 0.030 1 1410 128 128 VAL HG2 H 0.827 0.030 1 1411 128 128 VAL C C 173.764 0.300 1 1412 128 128 VAL CA C 59.873 0.300 1 1413 128 128 VAL CB C 30.591 0.300 1 1414 128 128 VAL CG1 C 18.840 0.300 2 1415 128 128 VAL CG2 C 18.040 0.300 2 1416 128 128 VAL N N 118.261 0.300 1 1417 129 129 ASP H H 8.347 0.030 1 1418 129 129 ASP HA H 4.575 0.030 1 1419 129 129 ASP HB2 H 2.649 0.030 2 1420 129 129 ASP HB3 H 2.509 0.030 2 1421 129 129 ASP C C 174.383 0.300 1 1422 129 129 ASP CA C 51.879 0.300 1 1423 129 129 ASP CB C 38.889 0.300 1 1424 129 129 ASP N N 123.618 0.300 1 1425 130 130 ILE H H 8.007 0.030 1 1426 130 130 ILE HA H 4.107 0.030 1 1427 130 130 ILE HB H 1.858 0.030 1 1428 130 130 ILE HD1 H 0.779 0.030 1 1429 130 130 ILE HG12 H 1.358 0.030 2 1430 130 130 ILE HG13 H 1.120 0.030 2 1431 130 130 ILE HG2 H 0.835 0.030 1 1432 130 130 ILE C C 174.898 0.300 1 1433 130 130 ILE CA C 59.195 0.300 1 1434 130 130 ILE CB C 36.297 0.300 1 1435 130 130 ILE CD1 C 11.032 0.300 1 1436 130 130 ILE CG1 C 24.817 0.300 1 1437 130 130 ILE CG2 C 15.386 0.300 1 1438 130 130 ILE N N 120.411 0.300 1 1439 131 131 GLY H H 8.391 0.030 1 1440 131 131 GLY HA2 H 3.860 0.030 1 1441 131 131 GLY HA3 H 3.860 0.030 1 1442 131 131 GLY C C 172.260 0.300 1 1443 131 131 GLY CA C 43.105 0.300 1 1444 131 131 GLY N N 111.538 0.300 1 1445 132 132 VAL H H 7.777 0.030 1 1446 132 132 VAL HA H 3.954 0.030 1 1447 132 132 VAL HB H 1.905 0.030 1 1448 132 132 VAL HG1 H 0.804 0.030 1 1449 132 132 VAL HG2 H 0.728 0.030 1 1450 132 132 VAL C C 174.108 0.300 1 1451 132 132 VAL CA C 60.121 0.300 1 1452 132 132 VAL CB C 30.398 0.300 1 1453 132 132 VAL CG1 C 18.352 0.300 2 1454 132 132 VAL CG2 C 18.727 0.300 2 1455 132 132 VAL N N 119.361 0.300 1 1456 133 133 LYS H H 8.231 0.030 1 1457 133 133 LYS HA H 4.210 0.030 1 1458 133 133 LYS HB2 H 1.614 0.030 1 1459 133 133 LYS HB3 H 1.614 0.030 1 1460 133 133 LYS HD2 H 1.564 0.030 1 1461 133 133 LYS HD3 H 1.564 0.030 1 1462 133 133 LYS HE2 H 2.921 0.030 1 1463 133 133 LYS HE3 H 2.921 0.030 1 1464 133 133 LYS HG2 H 1.289 0.030 2 1465 133 133 LYS HG3 H 1.204 0.030 2 1466 133 133 LYS C C 174.472 0.300 1 1467 133 133 LYS CA C 53.765 0.300 1 1468 133 133 LYS CB C 30.721 0.300 1 1469 133 133 LYS CD C 26.835 0.300 1 1470 133 133 LYS CE C 39.814 0.300 1 1471 133 133 LYS CG C 22.297 0.300 1 1472 133 133 LYS N N 124.608 0.300 1 1473 134 134 TYR H H 8.188 0.030 1 1474 134 134 TYR HA H 4.475 0.030 1 1475 134 134 TYR HB2 H 2.967 0.030 2 1476 134 134 TYR HB3 H 2.865 0.030 2 1477 134 134 TYR HD1 H 7.032 0.030 1 1478 134 134 TYR HD2 H 7.032 0.030 1 1479 134 134 TYR HE1 H 6.727 0.030 1 1480 134 134 TYR HE2 H 6.727 0.030 1 1481 134 134 TYR C C 173.943 0.300 1 1482 134 134 TYR CA C 55.858 0.300 1 1483 134 134 TYR CB C 36.529 0.300 1 1484 134 134 TYR CD1 C 130.841 0.300 1 1485 134 134 TYR CD2 C 130.841 0.300 1 1486 134 134 TYR CE1 C 115.956 0.300 1 1487 134 134 TYR CE2 C 115.956 0.300 1 1488 134 134 TYR N N 121.715 0.300 1 1489 135 135 SER H H 8.058 0.030 1 1490 135 135 SER HA H 4.298 0.030 1 1491 135 135 SER HB2 H 3.748 0.030 2 1492 135 135 SER C C 172.341 0.300 1 1493 135 135 SER CA C 55.879 0.300 1 1494 135 135 SER CB C 61.692 0.300 1 1495 135 135 SER N N 117.129 0.300 1 1496 136 136 GLU H H 8.334 0.030 1 1497 136 136 GLU HA H 4.192 0.030 1 1498 136 136 GLU HB2 H 1.974 0.030 2 1499 136 136 GLU HB3 H 1.872 0.030 2 1500 136 136 GLU HG2 H 2.185 0.030 2 1501 136 136 GLU C C 174.591 0.300 1 1502 136 136 GLU CA C 54.350 0.300 1 1503 136 136 GLU CB C 27.933 0.300 1 1504 136 136 GLU CG C 33.876 0.300 1 1505 136 136 GLU N N 122.734 0.300 1 1506 137 137 LYS H H 8.185 0.030 1 1507 137 137 LYS HA H 4.216 0.030 1 1508 137 137 LYS HB2 H 1.740 0.030 2 1509 137 137 LYS HB3 H 1.661 0.030 2 1510 137 137 LYS HD2 H 1.616 0.030 1 1511 137 137 LYS HD3 H 1.616 0.030 1 1512 137 137 LYS HE2 H 2.925 0.030 1 1513 137 137 LYS HE3 H 2.925 0.030 1 1514 137 137 LYS HG2 H 1.325 0.030 2 1515 137 137 LYS HG3 H 1.358 0.030 2 1516 137 137 LYS C C 174.582 0.300 1 1517 137 137 LYS CA C 53.950 0.300 1 1518 137 137 LYS CB C 30.540 0.300 1 1519 137 137 LYS CD C 26.730 0.300 1 1520 137 137 LYS CE C 39.808 0.300 1 1521 137 137 LYS CG C 22.396 0.300 1 1522 137 137 LYS N N 121.382 0.300 1 1523 138 138 GLN H H 8.251 0.030 1 1524 138 138 GLN HA H 4.230 0.030 1 1525 138 138 GLN HB2 H 1.994 0.030 2 1526 138 138 GLN HE21 H 6.765 0.030 2 1527 138 138 GLN HE22 H 7.431 0.030 2 1528 138 138 GLN HG2 H 2.241 0.030 2 1529 138 138 GLN C C 174.049 0.300 1 1530 138 138 GLN CA C 53.455 0.300 1 1531 138 138 GLN CB C 27.140 0.300 1 1532 138 138 GLN CG C 31.468 0.300 1 1533 138 138 GLN N N 121.261 0.300 1 1534 138 138 GLN NE2 N 112.197 0.300 1 1535 139 139 GLU H H 8.394 0.030 1 1536 139 139 GLU HA H 4.193 0.030 1 1537 139 139 GLU HB2 H 1.972 0.030 2 1538 139 139 GLU HB3 H 1.872 0.030 2 1539 139 139 GLU HG2 H 2.188 0.030 1 1540 139 139 GLU HG3 H 2.188 0.030 1 1541 139 139 GLU C C 174.524 0.300 1 1542 139 139 GLU CA C 54.355 0.300 1 1543 139 139 GLU CB C 27.914 0.300 1 1544 139 139 GLU CG C 33.848 0.300 1 1545 139 139 GLU N N 122.361 0.300 1 1546 140 140 ARG H H 8.344 0.030 1 1547 140 140 ARG HA H 4.331 0.030 1 1548 140 140 ARG HB2 H 1.763 0.030 2 1549 140 140 ARG HB3 H 1.695 0.030 2 1550 140 140 ARG C C 174.270 0.300 1 1551 140 140 ARG CA C 53.689 0.300 1 1552 140 140 ARG CB C 28.481 0.300 1 1553 140 140 ARG CD C 41.011 0.300 1 1554 140 140 ARG CG C 28.543 0.300 1 1555 140 140 ARG N N 121.772 0.300 1 1556 141 141 SER H H 8.298 0.030 1 1557 141 141 SER HA H 4.442 0.030 1 1558 141 141 SER HB2 H 3.805 0.030 2 1559 141 141 SER C C 172.605 0.300 1 1560 141 141 SER CA C 55.953 0.300 1 1561 141 141 SER CB C 61.766 0.300 1 1562 141 141 SER N N 116.837 0.300 1 1563 142 142 GLY H H 8.187 0.030 1 1564 142 142 GLY C C 169.891 0.300 1 1565 142 142 GLY CA C 42.326 0.300 1 1566 142 142 GLY N N 110.358 0.300 1 1567 143 143 PRO HA H 4.401 0.030 1 1568 143 143 PRO HB2 H 1.922 0.030 2 1569 143 143 PRO HB3 H 2.242 0.030 2 1570 143 143 PRO HD2 H 3.550 0.030 1 1571 143 143 PRO HD3 H 3.550 0.030 1 1572 143 143 PRO HG2 H 1.940 0.030 2 1573 143 143 PRO C C 175.515 0.300 1 1574 143 143 PRO CA C 60.933 0.300 1 1575 143 143 PRO CB C 29.820 0.300 1 1576 143 143 PRO CD C 47.463 0.300 1 1577 143 143 PRO CG C 24.787 0.300 1 1578 144 144 SER H H 8.461 0.030 1 1579 144 144 SER HA H 4.432 0.030 1 1580 144 144 SER HB2 H 3.836 0.030 2 1581 144 144 SER HB3 H 3.645 0.030 2 1582 144 144 SER C C 172.757 0.300 1 1583 144 144 SER CA C 56.114 0.300 1 1584 144 144 SER CB C 61.453 0.300 1 1585 144 144 SER N N 116.002 0.300 1 1586 145 145 SER H H 8.243 0.030 1 1587 145 145 SER HA H 4.423 0.030 1 1588 145 145 SER HB2 H 3.822 0.030 2 1589 145 145 SER C C 172.012 0.300 1 1590 145 145 SER CA C 56.100 0.300 1 1591 145 145 SER CB C 61.786 0.300 1 1592 145 145 SER N N 117.416 0.300 1 1593 146 146 GLY H H 7.964 0.030 1 1594 146 146 GLY C C 177.069 0.300 1 1595 146 146 GLY CA C 43.891 0.300 1 1596 146 146 GLY N N 116.481 0.300 1 stop_ save_