data_11106 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of the FN3 domain of human Midline 2 protein ; _BMRB_accession_number 11106 _BMRB_flat_file_name bmr11106.str _Entry_type original _Submission_date 2010-02-18 _Accession_date 2010-02-22 _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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 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" 698 "13C chemical shifts" 539 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-18 original author . stop_ _Original_release_date 2011-02-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The solution structure of the FN3 domain of human Midline 2 protein' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 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 'midline 2 isoform 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'fn3 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 'fn3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; GSSGSSGEGLDYLTAPNPPS IREELCTASHDTITVHWISD DEFSISSYELQYTIFTGQAN FISLYNSVDSWMIVPNIKQN HYTVHGLQSGTRYIFIVKAI NQAGSRNSEPTRLKTNSQPF KSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 GLY 10 LEU 11 ASP 12 TYR 13 LEU 14 THR 15 ALA 16 PRO 17 ASN 18 PRO 19 PRO 20 SER 21 ILE 22 ARG 23 GLU 24 GLU 25 LEU 26 CYS 27 THR 28 ALA 29 SER 30 HIS 31 ASP 32 THR 33 ILE 34 THR 35 VAL 36 HIS 37 TRP 38 ILE 39 SER 40 ASP 41 ASP 42 GLU 43 PHE 44 SER 45 ILE 46 SER 47 SER 48 TYR 49 GLU 50 LEU 51 GLN 52 TYR 53 THR 54 ILE 55 PHE 56 THR 57 GLY 58 GLN 59 ALA 60 ASN 61 PHE 62 ILE 63 SER 64 LEU 65 TYR 66 ASN 67 SER 68 VAL 69 ASP 70 SER 71 TRP 72 MET 73 ILE 74 VAL 75 PRO 76 ASN 77 ILE 78 LYS 79 GLN 80 ASN 81 HIS 82 TYR 83 THR 84 VAL 85 HIS 86 GLY 87 LEU 88 GLN 89 SER 90 GLY 91 THR 92 ARG 93 TYR 94 ILE 95 PHE 96 ILE 97 VAL 98 LYS 99 ALA 100 ILE 101 ASN 102 GLN 103 ALA 104 GLY 105 SER 106 ARG 107 ASN 108 SER 109 GLU 110 PRO 111 THR 112 ARG 113 LEU 114 LYS 115 THR 116 ASN 117 SER 118 GLN 119 PRO 120 PHE 121 LYS 122 SER 123 GLY 124 PRO 125 SER 126 SER 127 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2DMK "The Solution Structure Of The Fn3 Domain Of Human Midline 2 Protein" 100.00 127 100.00 100.00 2.05e-87 EMBL CAB56170 "midline 2 protein [Mus musculus]" 92.13 685 98.29 98.29 1.40e-74 GB AAF07340 "RING finger protein [Mus musculus]" 92.13 685 98.29 98.29 1.40e-74 GB AAF07341 "RING finger protein [Homo sapiens]" 92.13 685 98.29 98.29 2.08e-74 GB AAH17707 "Midline 2 [Homo sapiens]" 92.13 685 98.29 98.29 2.08e-74 GB AAI40362 "Midline 2, partial [synthetic construct]" 92.13 685 98.29 98.29 1.40e-74 GB AAI46505 "Midline 2 [synthetic construct]" 92.13 685 98.29 98.29 1.40e-74 REF NP_035975 "probable E3 ubiquitin-protein ligase MID2 [Mus musculus]" 92.13 685 98.29 98.29 1.40e-74 REF NP_438112 "probable E3 ubiquitin-protein ligase MID2 isoform 2 [Homo sapiens]" 92.13 705 98.29 98.29 2.75e-74 REF XP_001091577 "PREDICTED: midline-2-like [Macaca mulatta]" 92.13 572 98.29 98.29 1.33e-75 REF XP_001144794 "PREDICTED: probable E3 ubiquitin-protein ligase MID2 isoform X2 [Pan troglodytes]" 92.13 705 98.29 98.29 2.75e-74 REF XP_001491041 "PREDICTED: probable E3 ubiquitin-protein ligase MID2 isoformX1 [Equus caballus]" 92.13 685 98.29 98.29 1.82e-74 SP Q9QUS6 "RecName: Full=Probable E3 ubiquitin-protein ligase MID2; AltName: Full=Midline defect 2; AltName: Full=Midline-2; AltName: Full" 92.13 705 98.29 98.29 1.70e-74 TPG DAA13074 "TPA: midline 2-like [Bos taurus]" 92.13 489 98.29 98.29 3.84e-76 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 . P050302-86 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.2mM fn3 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 1.2 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMNMRView _Saveframe_category software _Name NMNMRView _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 0.955 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 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-SEPARATED_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-SEPARATED NOESY' _Sample_label $sample_1 save_ save_3D_13C-SEPARATED_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-SEPARATED NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMNMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-SEPARATED NOESY' '3D 13C-SEPARATED NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'fn3 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 5 5 SER HA H 4.533 0.030 1 2 5 5 SER HB2 H 3.872 0.030 2 3 5 5 SER C C 174.863 0.300 1 4 5 5 SER CA C 58.340 0.300 1 5 5 5 SER CB C 63.898 0.300 1 6 6 6 SER H H 8.505 0.030 1 7 6 6 SER HA H 4.465 0.030 1 8 6 6 SER HB2 H 3.891 0.030 2 9 6 6 SER C C 175.005 0.300 1 10 6 6 SER CA C 58.690 0.300 1 11 6 6 SER CB C 63.773 0.300 1 12 6 6 SER N N 117.919 0.300 1 13 7 7 GLY H H 8.400 0.030 1 14 7 7 GLY HA2 H 3.950 0.030 2 15 7 7 GLY C C 174.134 0.300 1 16 7 7 GLY CA C 45.424 0.300 1 17 7 7 GLY N N 110.754 0.300 1 18 8 8 GLU H H 8.295 0.030 1 19 8 8 GLU HA H 4.300 0.030 1 20 8 8 GLU HB2 H 2.058 0.030 2 21 8 8 GLU HB3 H 1.919 0.030 2 22 8 8 GLU HG2 H 2.226 0.030 2 23 8 8 GLU C C 176.990 0.300 1 24 8 8 GLU CA C 56.651 0.300 1 25 8 8 GLU CB C 30.332 0.300 1 26 8 8 GLU CG C 36.253 0.300 1 27 8 8 GLU N N 120.440 0.300 1 28 9 9 GLY H H 8.499 0.030 1 29 9 9 GLY HA2 H 3.947 0.030 1 30 9 9 GLY HA3 H 3.947 0.030 1 31 9 9 GLY C C 174.323 0.300 1 32 9 9 GLY CA C 45.518 0.300 1 33 9 9 GLY N N 109.889 0.300 1 34 10 10 LEU H H 8.057 0.030 1 35 10 10 LEU HA H 4.321 0.030 1 36 10 10 LEU HB2 H 1.560 0.030 2 37 10 10 LEU HB3 H 1.446 0.030 2 38 10 10 LEU HD1 H 0.868 0.030 1 39 10 10 LEU HD2 H 0.828 0.030 1 40 10 10 LEU HG H 1.532 0.030 1 41 10 10 LEU C C 177.196 0.300 1 42 10 10 LEU CA C 55.123 0.300 1 43 10 10 LEU CB C 42.308 0.300 1 44 10 10 LEU CD1 C 25.105 0.300 2 45 10 10 LEU CD2 C 23.324 0.300 2 46 10 10 LEU CG C 26.884 0.300 1 47 10 10 LEU N N 121.136 0.300 1 48 11 11 ASP H H 8.324 0.030 1 49 11 11 ASP HA H 4.492 0.030 1 50 11 11 ASP HB2 H 2.584 0.030 2 51 11 11 ASP HB3 H 2.507 0.030 2 52 11 11 ASP C C 175.810 0.300 1 53 11 11 ASP CA C 54.655 0.300 1 54 11 11 ASP CB C 40.898 0.300 1 55 11 11 ASP N N 120.154 0.300 1 56 12 12 TYR H H 7.833 0.030 1 57 12 12 TYR HA H 4.541 0.030 1 58 12 12 TYR HB2 H 3.038 0.030 2 59 12 12 TYR HB3 H 2.932 0.030 2 60 12 12 TYR HD1 H 7.085 0.030 1 61 12 12 TYR HD2 H 7.085 0.030 1 62 12 12 TYR HE1 H 6.820 0.030 1 63 12 12 TYR HE2 H 6.820 0.030 1 64 12 12 TYR C C 175.158 0.300 1 65 12 12 TYR CA C 57.518 0.300 1 66 12 12 TYR CB C 38.543 0.300 1 67 12 12 TYR CD1 C 133.228 0.300 1 68 12 12 TYR CD2 C 133.228 0.300 1 69 12 12 TYR CE1 C 118.421 0.300 1 70 12 12 TYR CE2 C 118.421 0.300 1 71 12 12 TYR N N 118.796 0.300 1 72 13 13 LEU H H 7.903 0.030 1 73 13 13 LEU HA H 4.325 0.030 1 74 13 13 LEU HB2 H 1.526 0.030 1 75 13 13 LEU HB3 H 1.526 0.030 1 76 13 13 LEU HD1 H 0.909 0.030 1 77 13 13 LEU HD2 H 0.824 0.030 1 78 13 13 LEU HG H 1.461 0.030 1 79 13 13 LEU C C 176.329 0.300 1 80 13 13 LEU CA C 55.134 0.300 1 81 13 13 LEU CB C 43.006 0.300 1 82 13 13 LEU CD1 C 24.823 0.300 2 83 13 13 LEU CD2 C 24.401 0.300 2 84 13 13 LEU CG C 26.736 0.300 1 85 13 13 LEU N N 123.092 0.300 1 86 14 14 THR H H 7.775 0.030 1 87 14 14 THR HA H 4.346 0.030 1 88 14 14 THR HB H 4.072 0.030 1 89 14 14 THR HG2 H 1.164 0.030 1 90 14 14 THR C C 173.436 0.300 1 91 14 14 THR CA C 60.389 0.300 1 92 14 14 THR CB C 70.704 0.300 1 93 14 14 THR CG2 C 21.326 0.300 1 94 14 14 THR N N 115.296 0.300 1 95 15 15 ALA H H 8.320 0.030 1 96 15 15 ALA HA H 4.267 0.030 1 97 15 15 ALA HB H 1.187 0.030 1 98 15 15 ALA C C 173.952 0.300 1 99 15 15 ALA CA C 51.073 0.300 1 100 15 15 ALA CB C 16.528 0.300 1 101 15 15 ALA N N 126.129 0.300 1 102 16 16 PRO HA H 4.262 0.030 1 103 16 16 PRO HB2 H 2.142 0.030 2 104 16 16 PRO HB3 H 1.662 0.030 2 105 16 16 PRO HD2 H 3.613 0.030 2 106 16 16 PRO HD3 H 2.821 0.030 2 107 16 16 PRO HG2 H 1.633 0.030 2 108 16 16 PRO HG3 H 1.559 0.030 2 109 16 16 PRO C C 175.745 0.300 1 110 16 16 PRO CA C 62.494 0.300 1 111 16 16 PRO CB C 32.664 0.300 1 112 16 16 PRO CD C 50.094 0.300 1 113 16 16 PRO CG C 27.580 0.300 1 114 17 17 ASN H H 8.951 0.030 1 115 17 17 ASN HA H 4.801 0.030 1 116 17 17 ASN HB2 H 2.781 0.030 2 117 17 17 ASN HB3 H 2.662 0.030 2 118 17 17 ASN HD21 H 6.987 0.030 2 119 17 17 ASN HD22 H 8.422 0.030 2 120 17 17 ASN C C 173.588 0.300 1 121 17 17 ASN CA C 51.562 0.300 1 122 17 17 ASN CB C 36.755 0.300 1 123 17 17 ASN N N 119.392 0.300 1 124 17 17 ASN ND2 N 115.350 0.300 1 125 18 18 PRO HA H 4.246 0.030 1 126 18 18 PRO HB2 H 1.881 0.030 2 127 18 18 PRO HB3 H 2.342 0.030 2 128 18 18 PRO HD2 H 3.667 0.030 2 129 18 18 PRO HG2 H 1.958 0.030 2 130 18 18 PRO HG3 H 2.281 0.030 2 131 18 18 PRO CA C 61.314 0.300 1 132 18 18 PRO CB C 30.932 0.300 1 133 18 18 PRO CD C 49.900 0.300 1 134 18 18 PRO CG C 28.223 0.300 1 135 19 19 PRO HA H 4.944 0.030 1 136 19 19 PRO HB2 H 2.269 0.030 2 137 19 19 PRO HB3 H 1.504 0.030 2 138 19 19 PRO HD2 H 3.418 0.030 2 139 19 19 PRO HD3 H 3.973 0.030 2 140 19 19 PRO HG2 H 1.922 0.030 2 141 19 19 PRO HG3 H 1.849 0.030 2 142 19 19 PRO C C 175.051 0.300 1 143 19 19 PRO CA C 62.272 0.300 1 144 19 19 PRO CB C 32.439 0.300 1 145 19 19 PRO CD C 50.149 0.300 1 146 19 19 PRO CG C 28.526 0.300 1 147 20 20 SER H H 8.594 0.030 1 148 20 20 SER HA H 4.815 0.030 1 149 20 20 SER HB2 H 3.807 0.030 2 150 20 20 SER HB3 H 3.749 0.030 2 151 20 20 SER C C 174.668 0.300 1 152 20 20 SER CA C 57.345 0.300 1 153 20 20 SER CB C 64.759 0.300 1 154 20 20 SER N N 113.352 0.300 1 155 21 21 ILE H H 9.003 0.030 1 156 21 21 ILE HA H 4.310 0.030 1 157 21 21 ILE HB H 2.124 0.030 1 158 21 21 ILE HD1 H 0.886 0.030 1 159 21 21 ILE HG12 H 1.770 0.030 2 160 21 21 ILE HG13 H 0.888 0.030 2 161 21 21 ILE HG2 H 0.913 0.030 1 162 21 21 ILE C C 176.258 0.300 1 163 21 21 ILE CA C 62.833 0.300 1 164 21 21 ILE CB C 37.090 0.300 1 165 21 21 ILE CD1 C 13.746 0.300 1 166 21 21 ILE CG1 C 30.101 0.300 1 167 21 21 ILE CG2 C 17.714 0.300 1 168 21 21 ILE N N 127.536 0.300 1 169 22 22 ARG H H 8.400 0.030 1 170 22 22 ARG HA H 4.707 0.030 1 171 22 22 ARG HB2 H 1.581 0.030 2 172 22 22 ARG HB3 H 1.782 0.030 2 173 22 22 ARG HD2 H 3.144 0.030 2 174 22 22 ARG HD3 H 3.041 0.030 2 175 22 22 ARG HG2 H 1.656 0.030 1 176 22 22 ARG HG3 H 1.656 0.030 1 177 22 22 ARG C C 176.568 0.300 1 178 22 22 ARG CA C 52.939 0.300 1 179 22 22 ARG CB C 28.667 0.300 1 180 22 22 ARG CD C 42.785 0.300 1 181 22 22 ARG CG C 25.409 0.300 1 182 22 22 ARG N N 128.753 0.300 1 183 23 23 GLU H H 8.950 0.030 1 184 23 23 GLU HA H 4.076 0.030 1 185 23 23 GLU HB2 H 2.100 0.030 1 186 23 23 GLU HB3 H 2.100 0.030 1 187 23 23 GLU HG2 H 2.335 0.030 2 188 23 23 GLU HG3 H 2.259 0.030 2 189 23 23 GLU C C 178.313 0.300 1 190 23 23 GLU CA C 61.280 0.300 1 191 23 23 GLU CB C 29.808 0.300 1 192 23 23 GLU CG C 36.806 0.300 1 193 23 23 GLU N N 127.446 0.300 1 194 24 24 GLU H H 10.121 0.030 1 195 24 24 GLU HA H 4.273 0.030 1 196 24 24 GLU HB2 H 2.085 0.030 2 197 24 24 GLU HB3 H 2.027 0.030 2 198 24 24 GLU HG2 H 2.405 0.030 2 199 24 24 GLU HG3 H 2.099 0.030 2 200 24 24 GLU C C 176.833 0.300 1 201 24 24 GLU CA C 58.436 0.300 1 202 24 24 GLU CB C 27.875 0.300 1 203 24 24 GLU CG C 35.711 0.300 1 204 24 24 GLU N N 118.349 0.300 1 205 25 25 LEU H H 7.533 0.030 1 206 25 25 LEU HA H 4.268 0.030 1 207 25 25 LEU HB2 H 0.889 0.030 2 208 25 25 LEU HB3 H 1.436 0.030 2 209 25 25 LEU HD1 H 0.584 0.030 1 210 25 25 LEU HD2 H 0.591 0.030 1 211 25 25 LEU HG H 1.297 0.030 1 212 25 25 LEU C C 177.093 0.300 1 213 25 25 LEU CA C 54.097 0.300 1 214 25 25 LEU CB C 42.698 0.300 1 215 25 25 LEU CD1 C 24.966 0.300 2 216 25 25 LEU CD2 C 21.889 0.300 2 217 25 25 LEU CG C 27.062 0.300 1 218 25 25 LEU N N 118.799 0.300 1 219 26 26 CYS H H 7.216 0.030 1 220 26 26 CYS HA H 4.688 0.030 1 221 26 26 CYS HB2 H 3.235 0.030 2 222 26 26 CYS HB3 H 2.759 0.030 2 223 26 26 CYS C C 174.619 0.300 1 224 26 26 CYS CA C 60.435 0.300 1 225 26 26 CYS CB C 29.069 0.300 1 226 26 26 CYS N N 117.033 0.300 1 227 27 27 THR H H 8.333 0.030 1 228 27 27 THR HA H 4.738 0.030 1 229 27 27 THR HB H 4.204 0.030 1 230 27 27 THR HG2 H 1.098 0.030 1 231 27 27 THR C C 172.326 0.300 1 232 27 27 THR CA C 60.263 0.300 1 233 27 27 THR CB C 71.986 0.300 1 234 27 27 THR CG2 C 21.546 0.300 1 235 27 27 THR N N 113.793 0.300 1 236 28 28 ALA H H 8.506 0.030 1 237 28 28 ALA HA H 5.165 0.030 1 238 28 28 ALA HB H 1.566 0.030 1 239 28 28 ALA C C 176.933 0.300 1 240 28 28 ALA CA C 51.686 0.300 1 241 28 28 ALA CB C 24.445 0.300 1 242 28 28 ALA N N 122.653 0.300 1 243 29 29 SER H H 8.696 0.030 1 244 29 29 SER HA H 5.009 0.030 1 245 29 29 SER HB2 H 4.330 0.030 2 246 29 29 SER HB3 H 3.880 0.030 2 247 29 29 SER C C 174.723 0.300 1 248 29 29 SER CA C 56.329 0.300 1 249 29 29 SER CB C 64.899 0.300 1 250 29 29 SER N N 117.582 0.300 1 251 30 30 HIS H H 8.624 0.030 1 252 30 30 HIS HA H 4.971 0.030 1 253 30 30 HIS HB2 H 3.041 0.030 2 254 30 30 HIS HB3 H 2.769 0.030 2 255 30 30 HIS HD2 H 6.979 0.030 1 256 30 30 HIS HE1 H 7.770 0.030 1 257 30 30 HIS C C 175.170 0.300 1 258 30 30 HIS CA C 58.009 0.300 1 259 30 30 HIS CB C 30.193 0.300 1 260 30 30 HIS CD2 C 118.167 0.300 1 261 30 30 HIS CE1 C 139.999 0.300 1 262 30 30 HIS N N 119.078 0.300 1 263 31 31 ASP H H 7.318 0.030 1 264 31 31 ASP HA H 4.457 0.030 1 265 31 31 ASP HB2 H 2.983 0.030 2 266 31 31 ASP HB3 H 2.251 0.030 2 267 31 31 ASP C C 175.291 0.300 1 268 31 31 ASP CA C 52.674 0.300 1 269 31 31 ASP CB C 41.672 0.300 1 270 31 31 ASP N N 115.312 0.300 1 271 32 32 THR H H 6.979 0.030 1 272 32 32 THR HA H 5.310 0.030 1 273 32 32 THR HB H 3.648 0.030 1 274 32 32 THR HG2 H 0.828 0.030 1 275 32 32 THR C C 173.101 0.300 1 276 32 32 THR CA C 59.542 0.300 1 277 32 32 THR CB C 73.630 0.300 1 278 32 32 THR CG2 C 21.240 0.300 1 279 32 32 THR N N 111.025 0.300 1 280 33 33 ILE H H 7.815 0.030 1 281 33 33 ILE HA H 4.529 0.030 1 282 33 33 ILE HB H 1.066 0.030 1 283 33 33 ILE HD1 H 0.732 0.030 1 284 33 33 ILE HG12 H 1.439 0.030 2 285 33 33 ILE HG13 H 0.911 0.030 2 286 33 33 ILE HG2 H 0.469 0.030 1 287 33 33 ILE C C 174.636 0.300 1 288 33 33 ILE CA C 61.452 0.300 1 289 33 33 ILE CB C 43.426 0.300 1 290 33 33 ILE CD1 C 14.240 0.300 1 291 33 33 ILE CG1 C 29.372 0.300 1 292 33 33 ILE CG2 C 18.057 0.300 1 293 33 33 ILE N N 120.584 0.300 1 294 34 34 THR H H 9.031 0.030 1 295 34 34 THR HA H 4.829 0.030 1 296 34 34 THR HB H 4.104 0.030 1 297 34 34 THR HG2 H 0.895 0.030 1 298 34 34 THR C C 172.580 0.300 1 299 34 34 THR CA C 62.282 0.300 1 300 34 34 THR CB C 69.100 0.300 1 301 34 34 THR CG2 C 21.106 0.300 1 302 34 34 THR N N 125.003 0.300 1 303 35 35 VAL H H 8.494 0.030 1 304 35 35 VAL HA H 4.450 0.030 1 305 35 35 VAL HB H 1.890 0.030 1 306 35 35 VAL HG1 H 0.878 0.030 1 307 35 35 VAL HG2 H 0.209 0.030 1 308 35 35 VAL C C 174.044 0.300 1 309 35 35 VAL CA C 60.204 0.300 1 310 35 35 VAL CB C 33.905 0.300 1 311 35 35 VAL CG1 C 22.327 0.300 2 312 35 35 VAL CG2 C 21.665 0.300 2 313 35 35 VAL N N 126.765 0.300 1 314 36 36 HIS H H 7.184 0.030 1 315 36 36 HIS HA H 4.766 0.030 1 316 36 36 HIS HB2 H 2.938 0.030 2 317 36 36 HIS HB3 H 2.631 0.030 2 318 36 36 HIS HD2 H 6.529 0.030 1 319 36 36 HIS HE1 H 7.190 0.030 1 320 36 36 HIS C C 175.009 0.300 1 321 36 36 HIS CA C 55.341 0.300 1 322 36 36 HIS CB C 36.313 0.300 1 323 36 36 HIS CD2 C 118.803 0.300 1 324 36 36 HIS CE1 C 136.699 0.300 1 325 36 36 HIS N N 124.774 0.300 1 326 37 37 TRP H H 8.243 0.030 1 327 37 37 TRP HA H 5.544 0.030 1 328 37 37 TRP HB2 H 3.060 0.030 2 329 37 37 TRP HB3 H 2.734 0.030 2 330 37 37 TRP HD1 H 6.254 0.030 1 331 37 37 TRP HE1 H 5.768 0.030 1 332 37 37 TRP HE3 H 6.809 0.030 1 333 37 37 TRP HH2 H 6.658 0.030 1 334 37 37 TRP HZ2 H 7.011 0.030 1 335 37 37 TRP HZ3 H 6.594 0.030 1 336 37 37 TRP C C 173.231 0.300 1 337 37 37 TRP CA C 55.963 0.300 1 338 37 37 TRP CB C 32.400 0.300 1 339 37 37 TRP CD1 C 124.586 0.300 1 340 37 37 TRP CE3 C 119.827 0.300 1 341 37 37 TRP CH2 C 122.629 0.300 1 342 37 37 TRP CZ2 C 115.013 0.300 1 343 37 37 TRP CZ3 C 121.378 0.300 1 344 37 37 TRP N N 119.137 0.300 1 345 37 37 TRP NE1 N 124.908 0.300 1 346 38 38 ILE H H 8.838 0.030 1 347 38 38 ILE HA H 4.824 0.030 1 348 38 38 ILE HB H 1.782 0.030 1 349 38 38 ILE HD1 H 0.901 0.030 1 350 38 38 ILE HG12 H 1.552 0.030 2 351 38 38 ILE HG13 H 1.166 0.030 2 352 38 38 ILE HG2 H 0.931 0.030 1 353 38 38 ILE C C 174.727 0.300 1 354 38 38 ILE CA C 59.429 0.300 1 355 38 38 ILE CB C 42.523 0.300 1 356 38 38 ILE CD1 C 13.689 0.300 1 357 38 38 ILE CG1 C 27.843 0.300 1 358 38 38 ILE CG2 C 17.222 0.300 1 359 38 38 ILE N N 115.817 0.300 1 360 39 39 SER H H 8.672 0.030 1 361 39 39 SER HA H 4.968 0.030 1 362 39 39 SER HB2 H 4.019 0.030 2 363 39 39 SER HB3 H 3.658 0.030 2 364 39 39 SER C C 173.877 0.300 1 365 39 39 SER CA C 57.698 0.300 1 366 39 39 SER CB C 65.383 0.300 1 367 39 39 SER N N 121.131 0.300 1 368 40 40 ASP H H 8.866 0.030 1 369 40 40 ASP HA H 4.548 0.030 1 370 40 40 ASP HB2 H 2.725 0.030 1 371 40 40 ASP HB3 H 2.725 0.030 1 372 40 40 ASP C C 176.216 0.300 1 373 40 40 ASP CA C 55.147 0.300 1 374 40 40 ASP CB C 40.666 0.300 1 375 40 40 ASP N N 124.188 0.300 1 376 41 41 ASP H H 8.776 0.030 1 377 41 41 ASP HA H 4.632 0.030 1 378 41 41 ASP HB2 H 2.602 0.030 2 379 41 41 ASP HB3 H 2.503 0.030 2 380 41 41 ASP C C 176.554 0.300 1 381 41 41 ASP CA C 53.018 0.300 1 382 41 41 ASP CB C 39.556 0.300 1 383 41 41 ASP N N 120.156 0.300 1 384 42 42 GLU H H 7.932 0.030 1 385 42 42 GLU HA H 3.887 0.030 1 386 42 42 GLU HB2 H 2.031 0.030 2 387 42 42 GLU HB3 H 1.909 0.030 2 388 42 42 GLU HG2 H 2.137 0.030 2 389 42 42 GLU HG3 H 2.016 0.030 2 390 42 42 GLU C C 177.222 0.300 1 391 42 42 GLU CA C 59.271 0.300 1 392 42 42 GLU CB C 30.037 0.300 1 393 42 42 GLU CG C 35.916 0.300 1 394 42 42 GLU N N 120.124 0.300 1 395 43 43 PHE H H 7.944 0.030 1 396 43 43 PHE HA H 4.577 0.030 1 397 43 43 PHE HB2 H 3.210 0.030 2 398 43 43 PHE HB3 H 3.098 0.030 2 399 43 43 PHE HD1 H 7.302 0.030 1 400 43 43 PHE HD2 H 7.302 0.030 1 401 43 43 PHE HE1 H 7.372 0.030 1 402 43 43 PHE HE2 H 7.372 0.030 1 403 43 43 PHE C C 176.219 0.300 1 404 43 43 PHE CA C 58.589 0.300 1 405 43 43 PHE CB C 38.605 0.300 1 406 43 43 PHE CD1 C 131.694 0.300 1 407 43 43 PHE CD2 C 131.694 0.300 1 408 43 43 PHE CE1 C 131.658 0.300 1 409 43 43 PHE CE2 C 131.658 0.300 1 410 43 43 PHE N N 116.277 0.300 1 411 44 44 SER H H 7.989 0.030 1 412 44 44 SER HA H 4.405 0.030 1 413 44 44 SER HB2 H 3.885 0.030 2 414 44 44 SER HB3 H 3.768 0.030 2 415 44 44 SER C C 173.740 0.300 1 416 44 44 SER CA C 58.197 0.300 1 417 44 44 SER CB C 63.992 0.300 1 418 44 44 SER N N 114.452 0.300 1 419 45 45 ILE H H 7.566 0.030 1 420 45 45 ILE HA H 3.928 0.030 1 421 45 45 ILE HB H 1.810 0.030 1 422 45 45 ILE HD1 H 0.753 0.030 1 423 45 45 ILE HG12 H 1.452 0.030 2 424 45 45 ILE HG13 H 1.084 0.030 2 425 45 45 ILE HG2 H 0.340 0.030 1 426 45 45 ILE C C 176.230 0.300 1 427 45 45 ILE CA C 60.758 0.300 1 428 45 45 ILE CB C 38.795 0.300 1 429 45 45 ILE CD1 C 12.629 0.300 1 430 45 45 ILE CG1 C 27.849 0.300 1 431 45 45 ILE CG2 C 17.763 0.300 1 432 45 45 ILE N N 122.799 0.300 1 433 46 46 SER H H 9.122 0.030 1 434 46 46 SER HA H 4.523 0.030 1 435 46 46 SER HB2 H 3.812 0.030 1 436 46 46 SER HB3 H 3.812 0.030 1 437 46 46 SER C C 174.732 0.300 1 438 46 46 SER CA C 59.919 0.300 1 439 46 46 SER CB C 63.777 0.300 1 440 46 46 SER N N 122.707 0.300 1 441 47 47 SER H H 7.815 0.030 1 442 47 47 SER HA H 4.402 0.030 1 443 47 47 SER HB2 H 4.010 0.030 2 444 47 47 SER HB3 H 3.653 0.030 2 445 47 47 SER C C 169.830 0.300 1 446 47 47 SER CA C 58.445 0.300 1 447 47 47 SER CB C 64.925 0.300 1 448 47 47 SER N N 113.266 0.300 1 449 48 48 TYR H H 9.168 0.030 1 450 48 48 TYR HA H 5.727 0.030 1 451 48 48 TYR HB2 H 2.751 0.030 2 452 48 48 TYR HB3 H 2.594 0.030 2 453 48 48 TYR HD1 H 7.088 0.030 1 454 48 48 TYR HD2 H 7.088 0.030 1 455 48 48 TYR HE1 H 6.745 0.030 1 456 48 48 TYR HE2 H 6.745 0.030 1 457 48 48 TYR C C 175.076 0.300 1 458 48 48 TYR CA C 55.930 0.300 1 459 48 48 TYR CB C 42.148 0.300 1 460 48 48 TYR CE1 C 117.606 0.300 1 461 48 48 TYR CE2 C 117.606 0.300 1 462 48 48 TYR N N 114.064 0.300 1 463 49 49 GLU H H 8.895 0.030 1 464 49 49 GLU HA H 5.167 0.030 1 465 49 49 GLU HB2 H 1.907 0.030 2 466 49 49 GLU HB3 H 1.730 0.030 2 467 49 49 GLU HG2 H 2.030 0.030 2 468 49 49 GLU HG3 H 1.866 0.030 2 469 49 49 GLU C C 174.431 0.300 1 470 49 49 GLU CA C 54.107 0.300 1 471 49 49 GLU CB C 34.225 0.300 1 472 49 49 GLU CG C 37.823 0.300 1 473 49 49 GLU N N 119.030 0.300 1 474 50 50 LEU H H 8.626 0.030 1 475 50 50 LEU HA H 4.878 0.030 1 476 50 50 LEU HB2 H 1.719 0.030 2 477 50 50 LEU HB3 H 0.975 0.030 2 478 50 50 LEU HD1 H 0.908 0.030 1 479 50 50 LEU HD2 H 0.929 0.030 1 480 50 50 LEU HG H 1.656 0.030 1 481 50 50 LEU C C 174.396 0.300 1 482 50 50 LEU CA C 53.307 0.300 1 483 50 50 LEU CB C 46.055 0.300 1 484 50 50 LEU CD1 C 24.469 0.300 2 485 50 50 LEU CD2 C 27.043 0.300 2 486 50 50 LEU CG C 27.507 0.300 1 487 50 50 LEU N N 127.507 0.300 1 488 51 51 GLN H H 9.208 0.030 1 489 51 51 GLN HA H 5.931 0.030 1 490 51 51 GLN HB2 H 2.013 0.030 2 491 51 51 GLN HB3 H 1.949 0.030 2 492 51 51 GLN HE21 H 6.286 0.030 2 493 51 51 GLN HE22 H 6.222 0.030 2 494 51 51 GLN HG2 H 2.108 0.030 1 495 51 51 GLN HG3 H 2.108 0.030 1 496 51 51 GLN C C 175.185 0.300 1 497 51 51 GLN CA C 53.347 0.300 1 498 51 51 GLN CB C 31.749 0.300 1 499 51 51 GLN CG C 33.596 0.300 1 500 51 51 GLN N N 124.654 0.300 1 501 51 51 GLN NE2 N 107.738 0.300 1 502 52 52 TYR H H 9.351 0.030 1 503 52 52 TYR HA H 6.108 0.030 1 504 52 52 TYR HB2 H 2.731 0.030 2 505 52 52 TYR HB3 H 1.860 0.030 2 506 52 52 TYR HD1 H 6.556 0.030 1 507 52 52 TYR HD2 H 6.556 0.030 1 508 52 52 TYR HE1 H 6.508 0.030 1 509 52 52 TYR HE2 H 6.508 0.030 1 510 52 52 TYR C C 173.492 0.300 1 511 52 52 TYR CA C 56.186 0.300 1 512 52 52 TYR CB C 42.494 0.300 1 513 52 52 TYR CD1 C 132.810 0.300 1 514 52 52 TYR CD2 C 132.810 0.300 1 515 52 52 TYR CE1 C 118.230 0.300 1 516 52 52 TYR CE2 C 118.230 0.300 1 517 52 52 TYR N N 119.191 0.300 1 518 53 53 THR H H 7.964 0.030 1 519 53 53 THR HA H 4.436 0.030 1 520 53 53 THR HB H 2.967 0.030 1 521 53 53 THR HG2 H -0.243 0.030 1 522 53 53 THR C C 172.201 0.300 1 523 53 53 THR CA C 59.746 0.300 1 524 53 53 THR CB C 69.570 0.300 1 525 53 53 THR CG2 C 17.290 0.300 1 526 53 53 THR N N 112.496 0.300 1 527 54 54 ILE H H 7.687 0.030 1 528 54 54 ILE HA H 3.655 0.030 1 529 54 54 ILE HB H 1.527 0.030 1 530 54 54 ILE HD1 H 0.792 0.030 1 531 54 54 ILE HG12 H 1.399 0.030 2 532 54 54 ILE HG13 H 0.562 0.030 2 533 54 54 ILE HG2 H 0.659 0.030 1 534 54 54 ILE C C 175.133 0.300 1 535 54 54 ILE CA C 62.799 0.300 1 536 54 54 ILE CB C 39.176 0.300 1 537 54 54 ILE CD1 C 13.882 0.300 1 538 54 54 ILE CG1 C 29.622 0.300 1 539 54 54 ILE CG2 C 16.523 0.300 1 540 54 54 ILE N N 125.329 0.300 1 541 55 55 PHE H H 8.703 0.030 1 542 55 55 PHE HA H 4.574 0.030 1 543 55 55 PHE HB2 H 2.516 0.030 2 544 55 55 PHE HB3 H 2.708 0.030 2 545 55 55 PHE HD1 H 6.998 0.030 1 546 55 55 PHE HD2 H 6.998 0.030 1 547 55 55 PHE HE1 H 7.339 0.030 1 548 55 55 PHE HE2 H 7.339 0.030 1 549 55 55 PHE HZ H 7.338 0.030 1 550 55 55 PHE C C 174.537 0.300 1 551 55 55 PHE CA C 56.969 0.300 1 552 55 55 PHE CB C 39.867 0.300 1 553 55 55 PHE CD1 C 131.622 0.300 1 554 55 55 PHE CD2 C 131.622 0.300 1 555 55 55 PHE CE1 C 131.622 0.300 1 556 55 55 PHE CE2 C 131.622 0.300 1 557 55 55 PHE CZ C 130.498 0.300 1 558 55 55 PHE N N 128.016 0.300 1 559 56 56 THR H H 8.069 0.030 1 560 56 56 THR HA H 4.179 0.030 1 561 56 56 THR HB H 4.290 0.030 1 562 56 56 THR HG2 H 1.025 0.030 1 563 56 56 THR C C 174.743 0.300 1 564 56 56 THR CA C 60.969 0.300 1 565 56 56 THR CB C 69.361 0.300 1 566 56 56 THR CG2 C 21.478 0.300 1 567 56 56 THR N N 118.032 0.300 1 568 57 57 GLY H H 6.065 0.030 1 569 57 57 GLY HA2 H 4.051 0.030 2 570 57 57 GLY HA3 H 3.318 0.030 2 571 57 57 GLY C C 174.099 0.300 1 572 57 57 GLY CA C 45.212 0.300 1 573 57 57 GLY N N 107.298 0.300 1 574 58 58 GLN H H 7.337 0.030 1 575 58 58 GLN HA H 4.169 0.030 1 576 58 58 GLN HB2 H 2.090 0.030 2 577 58 58 GLN HB3 H 1.959 0.030 2 578 58 58 GLN HE21 H 6.833 0.030 2 579 58 58 GLN HE22 H 7.541 0.030 2 580 58 58 GLN HG2 H 2.392 0.030 2 581 58 58 GLN HG3 H 2.346 0.030 2 582 58 58 GLN C C 176.241 0.300 1 583 58 58 GLN CA C 56.968 0.300 1 584 58 58 GLN CB C 29.003 0.300 1 585 58 58 GLN CG C 33.639 0.300 1 586 58 58 GLN NE2 N 112.350 0.300 1 587 59 59 ALA H H 8.312 0.030 1 588 59 59 ALA HA H 4.292 0.030 1 589 59 59 ALA HB H 1.329 0.030 1 590 59 59 ALA C C 177.547 0.300 1 591 59 59 ALA CA C 52.969 0.300 1 592 59 59 ALA CB C 19.448 0.300 1 593 59 59 ALA N N 123.256 0.300 1 594 60 60 ASN H H 8.134 0.030 1 595 60 60 ASN HA H 4.717 0.030 1 596 60 60 ASN HB2 H 2.821 0.030 2 597 60 60 ASN HB3 H 2.773 0.030 2 598 60 60 ASN C C 175.249 0.300 1 599 60 60 ASN CA C 52.850 0.300 1 600 60 60 ASN CB C 38.813 0.300 1 601 60 60 ASN N N 116.040 0.300 1 602 61 61 PHE H H 8.269 0.030 1 603 61 61 PHE HA H 4.370 0.030 1 604 61 61 PHE HB2 H 3.202 0.030 2 605 61 61 PHE HB3 H 3.134 0.030 2 606 61 61 PHE HD1 H 7.242 0.030 1 607 61 61 PHE HD2 H 7.242 0.030 1 608 61 61 PHE HE1 H 7.281 0.030 1 609 61 61 PHE HE2 H 7.281 0.030 1 610 61 61 PHE HZ H 7.125 0.030 1 611 61 61 PHE C C 175.876 0.300 1 612 61 61 PHE CA C 60.241 0.300 1 613 61 61 PHE CB C 39.285 0.300 1 614 61 61 PHE CD1 C 131.837 0.300 1 615 61 61 PHE CD2 C 131.837 0.300 1 616 61 61 PHE CE1 C 131.222 0.300 1 617 61 61 PHE CE2 C 131.222 0.300 1 618 61 61 PHE CZ C 129.710 0.300 1 619 61 61 PHE N N 120.852 0.300 1 620 62 62 ILE H H 8.101 0.030 1 621 62 62 ILE HA H 3.841 0.030 1 622 62 62 ILE HB H 1.890 0.030 1 623 62 62 ILE HD1 H 0.883 0.030 1 624 62 62 ILE HG12 H 1.544 0.030 2 625 62 62 ILE HG13 H 1.270 0.030 2 626 62 62 ILE HG2 H 0.902 0.030 1 627 62 62 ILE C C 177.161 0.300 1 628 62 62 ILE CA C 62.898 0.300 1 629 62 62 ILE CB C 37.835 0.300 1 630 62 62 ILE CD1 C 12.680 0.300 1 631 62 62 ILE CG1 C 28.184 0.300 1 632 62 62 ILE CG2 C 17.514 0.300 1 633 62 62 ILE N N 119.810 0.300 1 634 63 63 SER H H 7.929 0.030 1 635 63 63 SER HA H 4.321 0.030 1 636 63 63 SER HB2 H 3.866 0.030 2 637 63 63 SER C C 175.995 0.300 1 638 63 63 SER CA C 59.702 0.300 1 639 63 63 SER CB C 63.290 0.300 1 640 63 63 SER N N 116.269 0.300 1 641 64 64 LEU H H 7.966 0.030 1 642 64 64 LEU HA H 4.129 0.030 1 643 64 64 LEU HB2 H 1.500 0.030 2 644 64 64 LEU HB3 H 1.441 0.030 2 645 64 64 LEU HD1 H 0.756 0.030 1 646 64 64 LEU HD2 H 0.729 0.030 1 647 64 64 LEU HG H 1.477 0.030 1 648 64 64 LEU C C 178.752 0.300 1 649 64 64 LEU CA C 56.807 0.300 1 650 64 64 LEU CB C 42.371 0.300 1 651 64 64 LEU CD1 C 24.541 0.300 2 652 64 64 LEU CD2 C 24.197 0.300 2 653 64 64 LEU CG C 26.815 0.300 1 654 64 64 LEU N N 123.099 0.300 1 655 65 65 TYR H H 8.310 0.030 1 656 65 65 TYR HA H 4.243 0.030 1 657 65 65 TYR HB2 H 2.897 0.030 2 658 65 65 TYR HB3 H 2.630 0.030 2 659 65 65 TYR HD1 H 6.873 0.030 1 660 65 65 TYR HD2 H 6.873 0.030 1 661 65 65 TYR HE1 H 6.648 0.030 1 662 65 65 TYR HE2 H 6.648 0.030 1 663 65 65 TYR C C 176.170 0.300 1 664 65 65 TYR CA C 59.466 0.300 1 665 65 65 TYR CB C 37.899 0.300 1 666 65 65 TYR CD1 C 132.819 0.300 1 667 65 65 TYR CD2 C 132.819 0.300 1 668 65 65 TYR CE1 C 118.104 0.300 1 669 65 65 TYR CE2 C 118.104 0.300 1 670 65 65 TYR N N 119.348 0.300 1 671 66 66 ASN H H 7.816 0.030 1 672 66 66 ASN HA H 4.616 0.030 1 673 66 66 ASN HB2 H 2.857 0.030 2 674 66 66 ASN HB3 H 2.757 0.030 2 675 66 66 ASN HD21 H 6.904 0.030 2 676 66 66 ASN HD22 H 7.557 0.030 2 677 66 66 ASN C C 175.317 0.300 1 678 66 66 ASN CA C 53.682 0.300 1 679 66 66 ASN CB C 38.920 0.300 1 680 66 66 ASN N N 116.557 0.300 1 681 66 66 ASN ND2 N 112.516 0.300 1 682 67 67 SER H H 7.832 0.030 1 683 67 67 SER HA H 4.609 0.030 1 684 67 67 SER HB2 H 3.968 0.030 1 685 67 67 SER HB3 H 3.968 0.030 1 686 67 67 SER C C 175.169 0.300 1 687 67 67 SER CA C 57.372 0.300 1 688 67 67 SER CB C 63.452 0.300 1 689 67 67 SER N N 115.617 0.300 1 690 68 68 VAL H H 7.888 0.030 1 691 68 68 VAL HA H 3.693 0.030 1 692 68 68 VAL HB H 1.928 0.030 1 693 68 68 VAL HG1 H 0.725 0.030 1 694 68 68 VAL HG2 H 0.704 0.030 1 695 68 68 VAL C C 176.694 0.300 1 696 68 68 VAL CA C 63.829 0.300 1 697 68 68 VAL CB C 31.974 0.300 1 698 68 68 VAL CG1 C 20.483 0.300 2 699 68 68 VAL CG2 C 20.648 0.300 2 700 68 68 VAL N N 121.634 0.300 1 701 69 69 ASP H H 8.275 0.030 1 702 69 69 ASP HA H 4.549 0.030 1 703 69 69 ASP HB2 H 2.665 0.030 2 704 69 69 ASP HB3 H 2.592 0.030 2 705 69 69 ASP C C 176.737 0.300 1 706 69 69 ASP CA C 55.542 0.300 1 707 69 69 ASP CB C 40.788 0.300 1 708 69 69 ASP N N 120.157 0.300 1 709 70 70 SER H H 8.131 0.030 1 710 70 70 SER HA H 4.495 0.030 1 711 70 70 SER HB2 H 3.890 0.030 2 712 70 70 SER HB3 H 3.805 0.030 2 713 70 70 SER C C 174.369 0.300 1 714 70 70 SER CA C 58.894 0.300 1 715 70 70 SER CB C 63.707 0.300 1 716 70 70 SER N N 113.634 0.300 1 717 71 71 TRP H H 8.041 0.030 1 718 71 71 TRP HA H 4.434 0.030 1 719 71 71 TRP HB2 H 2.970 0.030 1 720 71 71 TRP HB3 H 2.970 0.030 1 721 71 71 TRP HD1 H 7.331 0.030 1 722 71 71 TRP HE1 H 9.880 0.030 1 723 71 71 TRP HE3 H 7.209 0.030 1 724 71 71 TRP HH2 H 6.888 0.030 1 725 71 71 TRP HZ2 H 7.078 0.030 1 726 71 71 TRP HZ3 H 6.830 0.030 1 727 71 71 TRP C C 175.651 0.300 1 728 71 71 TRP CA C 57.154 0.300 1 729 71 71 TRP CB C 29.356 0.300 1 730 71 71 TRP CD1 C 127.697 0.300 1 731 71 71 TRP CE3 C 120.204 0.300 1 732 71 71 TRP CH2 C 123.970 0.300 1 733 71 71 TRP CZ2 C 113.889 0.300 1 734 71 71 TRP CZ3 C 121.333 0.300 1 735 71 71 TRP N N 123.914 0.300 1 736 71 71 TRP NE1 N 129.753 0.300 1 737 72 72 MET H H 8.858 0.030 1 738 72 72 MET HA H 4.506 0.030 1 739 72 72 MET HB2 H 1.289 0.030 2 740 72 72 MET HB3 H 0.771 0.030 2 741 72 72 MET HE H 2.071 0.030 1 742 72 72 MET HG2 H 2.458 0.030 2 743 72 72 MET HG3 H 2.322 0.030 2 744 72 72 MET C C 175.035 0.300 1 745 72 72 MET CA C 54.553 0.300 1 746 72 72 MET CB C 31.887 0.300 1 747 72 72 MET CE C 17.307 0.300 1 748 72 72 MET CG C 32.830 0.300 1 749 72 72 MET N N 122.794 0.300 1 750 73 73 ILE H H 8.164 0.030 1 751 73 73 ILE HA H 5.014 0.030 1 752 73 73 ILE HB H 1.697 0.030 1 753 73 73 ILE HD1 H 0.732 0.030 1 754 73 73 ILE HG12 H 1.412 0.030 2 755 73 73 ILE HG13 H 1.008 0.030 2 756 73 73 ILE HG2 H 0.689 0.030 1 757 73 73 ILE C C 176.391 0.300 1 758 73 73 ILE CA C 59.781 0.300 1 759 73 73 ILE CB C 40.763 0.300 1 760 73 73 ILE CD1 C 12.800 0.300 1 761 73 73 ILE CG1 C 27.549 0.300 1 762 73 73 ILE CG2 C 17.578 0.300 1 763 73 73 ILE N N 120.485 0.300 1 764 74 74 VAL H H 9.476 0.030 1 765 74 74 VAL HA H 4.578 0.030 1 766 74 74 VAL HB H 2.011 0.030 1 767 74 74 VAL HG1 H 0.580 0.030 1 768 74 74 VAL HG2 H 1.059 0.030 1 769 74 74 VAL C C 173.547 0.300 1 770 74 74 VAL CA C 59.264 0.300 1 771 74 74 VAL CB C 33.399 0.300 1 772 74 74 VAL CG1 C 20.336 0.300 2 773 74 74 VAL CG2 C 19.758 0.300 2 774 74 74 VAL N N 129.449 0.300 1 775 75 75 PRO HA H 4.834 0.030 1 776 75 75 PRO HB2 H 1.974 0.030 2 777 75 75 PRO HB3 H 2.118 0.030 2 778 75 75 PRO HD2 H 3.835 0.030 2 779 75 75 PRO HD3 H 3.684 0.030 2 780 75 75 PRO HG2 H 2.039 0.030 2 781 75 75 PRO HG3 H 1.912 0.030 2 782 75 75 PRO C C 175.775 0.300 1 783 75 75 PRO CA C 61.781 0.300 1 784 75 75 PRO CB C 33.635 0.300 1 785 75 75 PRO CD C 50.355 0.300 1 786 75 75 PRO CG C 25.814 0.300 1 787 76 76 ASN H H 8.837 0.030 1 788 76 76 ASN HA H 4.254 0.030 1 789 76 76 ASN HB2 H 3.126 0.030 2 790 76 76 ASN HB3 H 2.690 0.030 2 791 76 76 ASN HD21 H 6.921 0.030 2 792 76 76 ASN HD22 H 7.672 0.030 2 793 76 76 ASN C C 173.977 0.300 1 794 76 76 ASN CA C 54.131 0.300 1 795 76 76 ASN CB C 37.551 0.300 1 796 76 76 ASN N N 113.024 0.300 1 797 76 76 ASN ND2 N 113.016 0.300 1 798 77 77 ILE H H 8.888 0.030 1 799 77 77 ILE HA H 4.103 0.030 1 800 77 77 ILE HB H 1.893 0.030 1 801 77 77 ILE HD1 H 0.473 0.030 1 802 77 77 ILE HG12 H 1.490 0.030 2 803 77 77 ILE HG13 H 0.628 0.030 2 804 77 77 ILE HG2 H 1.382 0.030 1 805 77 77 ILE C C 177.205 0.300 1 806 77 77 ILE CA C 62.855 0.300 1 807 77 77 ILE CB C 39.297 0.300 1 808 77 77 ILE CD1 C 15.834 0.300 1 809 77 77 ILE CG1 C 27.474 0.300 1 810 77 77 ILE CG2 C 18.392 0.300 1 811 77 77 ILE N N 120.479 0.300 1 812 78 78 LYS H H 8.953 0.030 1 813 78 78 LYS HA H 4.941 0.030 1 814 78 78 LYS HB2 H 2.142 0.030 2 815 78 78 LYS HB3 H 1.721 0.030 2 816 78 78 LYS HD2 H 1.743 0.030 1 817 78 78 LYS HD3 H 1.743 0.030 1 818 78 78 LYS HE2 H 3.043 0.030 1 819 78 78 LYS HE3 H 3.043 0.030 1 820 78 78 LYS HG2 H 1.498 0.030 1 821 78 78 LYS HG3 H 1.498 0.030 1 822 78 78 LYS C C 176.227 0.300 1 823 78 78 LYS CA C 55.208 0.300 1 824 78 78 LYS CB C 32.328 0.300 1 825 78 78 LYS CD C 28.719 0.300 1 826 78 78 LYS CE C 42.318 0.300 1 827 78 78 LYS CG C 24.833 0.300 1 828 78 78 LYS N N 127.785 0.300 1 829 79 79 GLN H H 7.350 0.030 1 830 79 79 GLN HA H 4.661 0.030 1 831 79 79 GLN HB2 H 2.122 0.030 2 832 79 79 GLN HB3 H 1.757 0.030 2 833 79 79 GLN HE21 H 6.836 0.030 2 834 79 79 GLN HE22 H 7.448 0.030 2 835 79 79 GLN HG2 H 2.256 0.030 1 836 79 79 GLN HG3 H 2.256 0.030 1 837 79 79 GLN C C 172.552 0.300 1 838 79 79 GLN CA C 54.493 0.300 1 839 79 79 GLN CB C 30.709 0.300 1 840 79 79 GLN CG C 33.179 0.300 1 841 79 79 GLN N N 116.381 0.300 1 842 79 79 GLN NE2 N 112.320 0.300 1 843 80 80 ASN H H 7.772 0.030 1 844 80 80 ASN HA H 3.664 0.030 1 845 80 80 ASN HB2 H 2.613 0.030 1 846 80 80 ASN HB3 H 2.613 0.030 1 847 80 80 ASN HD21 H 7.209 0.030 2 848 80 80 ASN HD22 H 6.830 0.030 2 849 80 80 ASN C C 171.898 0.300 1 850 80 80 ASN CA C 51.749 0.300 1 851 80 80 ASN CB C 36.674 0.300 1 852 80 80 ASN N N 114.533 0.300 1 853 80 80 ASN ND2 N 110.860 0.300 1 854 81 81 HIS H H 6.136 0.030 1 855 81 81 HIS HA H 4.275 0.030 1 856 81 81 HIS HB2 H 2.272 0.030 2 857 81 81 HIS HB3 H 1.671 0.030 2 858 81 81 HIS HD2 H 6.540 0.030 1 859 81 81 HIS HE1 H 7.750 0.030 1 860 81 81 HIS C C 173.636 0.300 1 861 81 81 HIS CA C 53.965 0.300 1 862 81 81 HIS CB C 31.089 0.300 1 863 81 81 HIS CD2 C 121.214 0.300 1 864 81 81 HIS CE1 C 137.714 0.300 1 865 81 81 HIS N N 110.303 0.300 1 866 82 82 TYR H H 8.468 0.030 1 867 82 82 TYR HA H 4.205 0.030 1 868 82 82 TYR HB2 H 3.363 0.030 2 869 82 82 TYR HB3 H 2.638 0.030 2 870 82 82 TYR HD1 H 6.960 0.030 1 871 82 82 TYR HD2 H 6.960 0.030 1 872 82 82 TYR HE1 H 6.868 0.030 1 873 82 82 TYR HE2 H 6.868 0.030 1 874 82 82 TYR C C 173.184 0.300 1 875 82 82 TYR CA C 59.806 0.300 1 876 82 82 TYR CB C 43.176 0.300 1 877 82 82 TYR CD1 C 133.100 0.300 1 878 82 82 TYR CD2 C 133.100 0.300 1 879 82 82 TYR CE1 C 118.794 0.300 1 880 82 82 TYR CE2 C 118.794 0.300 1 881 82 82 TYR N N 117.602 0.300 1 882 83 83 THR H H 7.465 0.030 1 883 83 83 THR HA H 4.747 0.030 1 884 83 83 THR HB H 3.543 0.030 1 885 83 83 THR HG2 H 0.530 0.030 1 886 83 83 THR C C 171.596 0.300 1 887 83 83 THR CA C 62.046 0.300 1 888 83 83 THR CB C 69.561 0.300 1 889 83 83 THR CG2 C 21.390 0.300 1 890 83 83 THR N N 124.428 0.300 1 891 84 84 VAL H H 8.860 0.030 1 892 84 84 VAL HA H 4.139 0.030 1 893 84 84 VAL HB H 1.870 0.030 1 894 84 84 VAL HG1 H 0.707 0.030 1 895 84 84 VAL HG2 H 0.838 0.030 1 896 84 84 VAL C C 174.383 0.300 1 897 84 84 VAL CA C 61.457 0.300 1 898 84 84 VAL CB C 32.542 0.300 1 899 84 84 VAL CG1 C 22.660 0.300 2 900 84 84 VAL CG2 C 21.813 0.300 2 901 84 84 VAL N N 126.747 0.300 1 902 85 85 HIS H H 8.289 0.030 1 903 85 85 HIS HA H 4.970 0.030 1 904 85 85 HIS HB2 H 3.132 0.030 2 905 85 85 HIS HB3 H 2.956 0.030 2 906 85 85 HIS HD2 H 6.966 0.030 1 907 85 85 HIS HE1 H 7.866 0.030 1 908 85 85 HIS C C 175.412 0.300 1 909 85 85 HIS CA C 54.906 0.300 1 910 85 85 HIS CB C 32.655 0.300 1 911 85 85 HIS CD2 C 121.097 0.300 1 912 85 85 HIS CE1 C 137.615 0.300 1 913 85 85 HIS N N 122.664 0.300 1 914 86 86 GLY H H 8.681 0.030 1 915 86 86 GLY HA2 H 3.942 0.030 1 916 86 86 GLY HA3 H 3.942 0.030 1 917 86 86 GLY C C 175.527 0.300 1 918 86 86 GLY CA C 46.537 0.300 1 919 86 86 GLY N N 107.632 0.300 1 920 87 87 LEU H H 8.130 0.030 1 921 87 87 LEU HA H 4.318 0.030 1 922 87 87 LEU HB2 H 1.376 0.030 2 923 87 87 LEU HB3 H 0.971 0.030 2 924 87 87 LEU HD1 H 0.065 0.030 1 925 87 87 LEU HD2 H 0.175 0.030 1 926 87 87 LEU HG H 1.035 0.030 1 927 87 87 LEU C C 176.258 0.300 1 928 87 87 LEU CA C 53.599 0.300 1 929 87 87 LEU CB C 41.755 0.300 1 930 87 87 LEU CD1 C 25.548 0.300 2 931 87 87 LEU CD2 C 20.019 0.300 2 932 87 87 LEU CG C 26.061 0.300 1 933 87 87 LEU N N 119.362 0.300 1 934 88 88 GLN H H 8.157 0.030 1 935 88 88 GLN HA H 4.494 0.030 1 936 88 88 GLN HB2 H 2.204 0.030 2 937 88 88 GLN HB3 H 2.044 0.030 2 938 88 88 GLN HE21 H 7.588 0.030 2 939 88 88 GLN HE22 H 6.920 0.030 2 940 88 88 GLN HG2 H 2.533 0.030 1 941 88 88 GLN HG3 H 2.533 0.030 1 942 88 88 GLN C C 176.694 0.300 1 943 88 88 GLN CA C 54.948 0.300 1 944 88 88 GLN CB C 30.737 0.300 1 945 88 88 GLN CG C 34.254 0.300 1 946 88 88 GLN N N 118.678 0.300 1 947 88 88 GLN NE2 N 112.678 0.300 1 948 89 89 SER H H 8.719 0.030 1 949 89 89 SER HA H 5.164 0.030 1 950 89 89 SER HB2 H 4.243 0.030 2 951 89 89 SER HB3 H 4.165 0.030 2 952 89 89 SER C C 176.822 0.300 1 953 89 89 SER CA C 59.130 0.300 1 954 89 89 SER CB C 64.510 0.300 1 955 89 89 SER N N 119.852 0.300 1 956 90 90 GLY H H 7.900 0.030 1 957 90 90 GLY HA2 H 3.839 0.030 2 958 90 90 GLY HA3 H 3.747 0.030 2 959 90 90 GLY C C 174.499 0.300 1 960 90 90 GLY CA C 47.684 0.300 1 961 90 90 GLY N N 115.862 0.300 1 962 91 91 THR H H 8.293 0.030 1 963 91 91 THR HA H 4.409 0.030 1 964 91 91 THR HB H 3.826 0.030 1 965 91 91 THR HG2 H 0.830 0.030 1 966 91 91 THR C C 171.275 0.300 1 967 91 91 THR CA C 63.395 0.300 1 968 91 91 THR CB C 72.053 0.300 1 969 91 91 THR CG2 C 20.931 0.300 1 970 91 91 THR N N 115.901 0.300 1 971 92 92 ARG H H 8.491 0.030 1 972 92 92 ARG HA H 4.871 0.030 1 973 92 92 ARG HB2 H 2.063 0.030 2 974 92 92 ARG HB3 H 1.755 0.030 2 975 92 92 ARG HD2 H 3.207 0.030 2 976 92 92 ARG HD3 H 3.089 0.030 2 977 92 92 ARG HG2 H 1.612 0.030 2 978 92 92 ARG HG3 H 1.807 0.030 2 979 92 92 ARG C C 174.099 0.300 1 980 92 92 ARG CA C 55.722 0.300 1 981 92 92 ARG CB C 32.049 0.300 1 982 92 92 ARG CD C 43.991 0.300 1 983 92 92 ARG CG C 27.528 0.300 1 984 92 92 ARG N N 125.281 0.300 1 985 93 93 TYR H H 9.262 0.030 1 986 93 93 TYR HA H 4.955 0.030 1 987 93 93 TYR HB2 H 2.616 0.030 2 988 93 93 TYR HB3 H 2.426 0.030 2 989 93 93 TYR HD1 H 6.853 0.030 1 990 93 93 TYR HD2 H 6.853 0.030 1 991 93 93 TYR HE1 H 6.790 0.030 1 992 93 93 TYR HE2 H 6.790 0.030 1 993 93 93 TYR C C 174.073 0.300 1 994 93 93 TYR CA C 57.606 0.300 1 995 93 93 TYR CB C 44.600 0.300 1 996 93 93 TYR CE1 C 118.576 0.300 1 997 93 93 TYR CE2 C 118.576 0.300 1 998 93 93 TYR N N 122.600 0.300 1 999 94 94 ILE H H 8.880 0.030 1 1000 94 94 ILE HA H 4.956 0.030 1 1001 94 94 ILE HB H 1.454 0.030 1 1002 94 94 ILE HD1 H 0.740 0.030 1 1003 94 94 ILE HG12 H 1.037 0.030 2 1004 94 94 ILE HG13 H 1.428 0.030 2 1005 94 94 ILE HG2 H 0.923 0.030 1 1006 94 94 ILE C C 173.222 0.300 1 1007 94 94 ILE CA C 59.273 0.300 1 1008 94 94 ILE CB C 40.997 0.300 1 1009 94 94 ILE CD1 C 14.092 0.300 1 1010 94 94 ILE CG1 C 28.492 0.300 1 1011 94 94 ILE CG2 C 17.693 0.300 1 1012 94 94 ILE N N 119.737 0.300 1 1013 95 95 PHE H H 8.880 0.030 1 1014 95 95 PHE HA H 5.647 0.030 1 1015 95 95 PHE HB2 H 2.889 0.030 2 1016 95 95 PHE HB3 H 2.756 0.030 2 1017 95 95 PHE HD1 H 7.160 0.030 1 1018 95 95 PHE HD2 H 7.160 0.030 1 1019 95 95 PHE HE1 H 6.845 0.030 1 1020 95 95 PHE HE2 H 6.845 0.030 1 1021 95 95 PHE HZ H 6.403 0.030 1 1022 95 95 PHE C C 175.204 0.300 1 1023 95 95 PHE CA C 57.139 0.300 1 1024 95 95 PHE CB C 43.823 0.300 1 1025 95 95 PHE CD1 C 132.001 0.300 1 1026 95 95 PHE CD2 C 132.001 0.300 1 1027 95 95 PHE CE1 C 131.323 0.300 1 1028 95 95 PHE CE2 C 131.323 0.300 1 1029 95 95 PHE CZ C 127.634 0.300 1 1030 95 95 PHE N N 121.905 0.300 1 1031 96 96 ILE H H 9.283 0.030 1 1032 96 96 ILE HA H 3.899 0.030 1 1033 96 96 ILE HB H 1.431 0.030 1 1034 96 96 ILE HD1 H 0.654 0.030 1 1035 96 96 ILE HG12 H 0.786 0.030 2 1036 96 96 ILE HG13 H 1.592 0.030 2 1037 96 96 ILE HG2 H 0.688 0.030 1 1038 96 96 ILE C C 174.259 0.300 1 1039 96 96 ILE CA C 61.295 0.300 1 1040 96 96 ILE CB C 43.598 0.300 1 1041 96 96 ILE CD1 C 14.678 0.300 1 1042 96 96 ILE CG1 C 28.712 0.300 1 1043 96 96 ILE CG2 C 17.159 0.300 1 1044 96 96 ILE N N 119.403 0.300 1 1045 97 97 VAL H H 8.348 0.030 1 1046 97 97 VAL HA H 4.468 0.030 1 1047 97 97 VAL HB H 1.026 0.030 1 1048 97 97 VAL HG1 H -0.335 0.030 1 1049 97 97 VAL HG2 H -0.205 0.030 1 1050 97 97 VAL C C 172.710 0.300 1 1051 97 97 VAL CA C 60.021 0.300 1 1052 97 97 VAL CB C 33.952 0.300 1 1053 97 97 VAL CG1 C 19.313 0.300 2 1054 97 97 VAL CG2 C 20.750 0.300 2 1055 97 97 VAL N N 125.946 0.300 1 1056 98 98 LYS H H 9.252 0.030 1 1057 98 98 LYS HA H 5.061 0.030 1 1058 98 98 LYS HB2 H 1.676 0.030 1 1059 98 98 LYS HB3 H 1.676 0.030 1 1060 98 98 LYS HD2 H 1.547 0.030 2 1061 98 98 LYS HD3 H 1.389 0.030 2 1062 98 98 LYS HE2 H 2.757 0.030 2 1063 98 98 LYS HE3 H 2.702 0.030 2 1064 98 98 LYS HG2 H 1.034 0.030 2 1065 98 98 LYS HG3 H 1.194 0.030 2 1066 98 98 LYS C C 175.600 0.300 1 1067 98 98 LYS CA C 54.276 0.300 1 1068 98 98 LYS CB C 35.613 0.300 1 1069 98 98 LYS CD C 29.460 0.300 1 1070 98 98 LYS CE C 41.233 0.300 1 1071 98 98 LYS CG C 24.153 0.300 1 1072 98 98 LYS N N 130.286 0.300 1 1073 99 99 ALA H H 8.871 0.030 1 1074 99 99 ALA HA H 4.727 0.030 1 1075 99 99 ALA HB H 1.398 0.030 1 1076 99 99 ALA C C 176.198 0.300 1 1077 99 99 ALA CA C 51.067 0.300 1 1078 99 99 ALA CB C 21.958 0.300 1 1079 99 99 ALA N N 128.342 0.300 1 1080 100 100 ILE H H 8.320 0.030 1 1081 100 100 ILE HA H 4.450 0.030 1 1082 100 100 ILE HB H 1.644 0.030 1 1083 100 100 ILE HD1 H 0.643 0.030 1 1084 100 100 ILE HG12 H 1.242 0.030 2 1085 100 100 ILE HG13 H 0.781 0.030 2 1086 100 100 ILE HG2 H 0.723 0.030 1 1087 100 100 ILE C C 175.775 0.300 1 1088 100 100 ILE CA C 61.378 0.300 1 1089 100 100 ILE CB C 41.028 0.300 1 1090 100 100 ILE CD1 C 14.794 0.300 1 1091 100 100 ILE CG1 C 28.308 0.300 1 1092 100 100 ILE CG2 C 18.057 0.300 1 1093 100 100 ILE N N 121.479 0.300 1 1094 101 101 ASN H H 8.965 0.030 1 1095 101 101 ASN HA H 4.776 0.030 1 1096 101 101 ASN HB2 H 3.196 0.030 2 1097 101 101 ASN HB3 H 3.400 0.030 2 1098 101 101 ASN HD21 H 7.440 0.030 2 1099 101 101 ASN HD22 H 7.343 0.030 2 1100 101 101 ASN C C 175.583 0.300 1 1101 101 101 ASN CA C 51.994 0.300 1 1102 101 101 ASN CB C 39.999 0.300 1 1103 101 101 ASN N N 123.719 0.300 1 1104 101 101 ASN ND2 N 108.779 0.300 1 1105 102 102 GLN H H 8.585 0.030 1 1106 102 102 GLN HA H 3.992 0.030 1 1107 102 102 GLN HB2 H 2.010 0.030 1 1108 102 102 GLN HB3 H 2.010 0.030 1 1109 102 102 GLN HG2 H 2.387 0.030 2 1110 102 102 GLN C C 176.258 0.300 1 1111 102 102 GLN CA C 58.579 0.300 1 1112 102 102 GLN CB C 28.609 0.300 1 1113 102 102 GLN CG C 34.061 0.300 1 1114 102 102 GLN N N 114.907 0.300 1 1115 103 103 ALA H H 8.081 0.030 1 1116 103 103 ALA HA H 4.372 0.030 1 1117 103 103 ALA HB H 1.174 0.030 1 1118 103 103 ALA C C 177.696 0.300 1 1119 103 103 ALA CA C 52.266 0.300 1 1120 103 103 ALA CB C 19.707 0.300 1 1121 103 103 ALA N N 119.957 0.300 1 1122 104 104 GLY H H 7.758 0.030 1 1123 104 104 GLY HA2 H 4.361 0.030 2 1124 104 104 GLY HA3 H 3.885 0.030 2 1125 104 104 GLY C C 169.698 0.300 1 1126 104 104 GLY CA C 45.555 0.300 1 1127 104 104 GLY N N 106.237 0.300 1 1128 105 105 SER H H 8.295 0.030 1 1129 105 105 SER HA H 5.618 0.030 1 1130 105 105 SER HB2 H 3.724 0.030 2 1131 105 105 SER HB3 H 3.569 0.030 2 1132 105 105 SER C C 173.430 0.300 1 1133 105 105 SER CA C 56.150 0.300 1 1134 105 105 SER CB C 67.316 0.300 1 1135 105 105 SER N N 111.805 0.300 1 1136 106 106 ARG H H 8.649 0.030 1 1137 106 106 ARG HA H 4.487 0.030 1 1138 106 106 ARG HB2 H 1.580 0.030 2 1139 106 106 ARG HB3 H 1.515 0.030 2 1140 106 106 ARG HD2 H 3.463 0.030 2 1141 106 106 ARG HD3 H 3.313 0.030 2 1142 106 106 ARG HG2 H 1.619 0.030 2 1143 106 106 ARG HG3 H 1.467 0.030 2 1144 106 106 ARG C C 174.321 0.300 1 1145 106 106 ARG CA C 54.705 0.300 1 1146 106 106 ARG CB C 35.639 0.300 1 1147 106 106 ARG CD C 42.728 0.300 1 1148 106 106 ARG CG C 27.705 0.300 1 1149 106 106 ARG N N 120.178 0.300 1 1150 107 107 ASN H H 8.705 0.030 1 1151 107 107 ASN HA H 5.240 0.030 1 1152 107 107 ASN HB2 H 2.731 0.030 2 1153 107 107 ASN HB3 H 2.660 0.030 2 1154 107 107 ASN HD21 H 7.292 0.030 2 1155 107 107 ASN HD22 H 6.634 0.030 2 1156 107 107 ASN C C 176.258 0.300 1 1157 107 107 ASN CA C 52.398 0.300 1 1158 107 107 ASN CB C 40.049 0.300 1 1159 107 107 ASN N N 124.558 0.300 1 1160 107 107 ASN ND2 N 109.361 0.300 1 1161 108 108 SER H H 9.028 0.030 1 1162 108 108 SER HA H 4.580 0.030 1 1163 108 108 SER HB2 H 3.748 0.030 2 1164 108 108 SER HB3 H 4.488 0.030 2 1165 108 108 SER C C 174.376 0.300 1 1166 108 108 SER CA C 58.253 0.300 1 1167 108 108 SER CB C 66.861 0.300 1 1168 108 108 SER N N 116.361 0.300 1 1169 109 109 GLU H H 8.735 0.030 1 1170 109 109 GLU HA H 4.577 0.030 1 1171 109 109 GLU HB2 H 1.932 0.030 2 1172 109 109 GLU HB3 H 2.178 0.030 2 1173 109 109 GLU HG2 H 2.525 0.030 2 1174 109 109 GLU HG3 H 2.444 0.030 2 1175 109 109 GLU C C 176.707 0.300 1 1176 109 109 GLU CA C 55.490 0.300 1 1177 109 109 GLU CB C 29.008 0.300 1 1178 109 109 GLU CG C 36.189 0.300 1 1179 109 109 GLU N N 119.215 0.300 1 1180 110 110 PRO HA H 5.143 0.030 1 1181 110 110 PRO HB2 H 1.986 0.030 2 1182 110 110 PRO HB3 H 1.773 0.030 2 1183 110 110 PRO HD2 H 3.775 0.030 1 1184 110 110 PRO HD3 H 3.775 0.030 1 1185 110 110 PRO HG2 H 1.757 0.030 2 1186 110 110 PRO HG3 H 2.045 0.030 2 1187 110 110 PRO C C 177.438 0.300 1 1188 110 110 PRO CA C 62.548 0.300 1 1189 110 110 PRO CB C 32.489 0.300 1 1190 110 110 PRO CD C 50.424 0.300 1 1191 110 110 PRO CG C 27.483 0.300 1 1192 111 111 THR H H 9.105 0.030 1 1193 111 111 THR HA H 4.685 0.030 1 1194 111 111 THR HB H 3.861 0.030 1 1195 111 111 THR HG2 H 1.247 0.030 1 1196 111 111 THR C C 172.720 0.300 1 1197 111 111 THR CA C 62.555 0.300 1 1198 111 111 THR CB C 72.103 0.300 1 1199 111 111 THR CG2 C 21.122 0.300 1 1200 111 111 THR N N 119.068 0.300 1 1201 112 112 ARG H H 8.783 0.030 1 1202 112 112 ARG HA H 5.416 0.030 1 1203 112 112 ARG HB2 H 1.615 0.030 1 1204 112 112 ARG HB3 H 1.615 0.030 1 1205 112 112 ARG HD2 H 2.566 0.030 2 1206 112 112 ARG HD3 H 2.466 0.030 2 1207 112 112 ARG HG2 H 1.350 0.030 2 1208 112 112 ARG HG3 H 1.070 0.030 2 1209 112 112 ARG C C 175.228 0.300 1 1210 112 112 ARG CA C 55.042 0.300 1 1211 112 112 ARG CB C 31.212 0.300 1 1212 112 112 ARG CD C 43.375 0.300 1 1213 112 112 ARG CG C 26.921 0.300 1 1214 112 112 ARG N N 127.658 0.300 1 1215 113 113 LEU H H 9.136 0.030 1 1216 113 113 LEU HA H 4.881 0.030 1 1217 113 113 LEU HB2 H 1.718 0.030 2 1218 113 113 LEU HB3 H 1.626 0.030 2 1219 113 113 LEU HD1 H 0.617 0.030 1 1220 113 113 LEU HD2 H 1.001 0.030 1 1221 113 113 LEU HG H 1.580 0.030 1 1222 113 113 LEU C C 174.636 0.300 1 1223 113 113 LEU CA C 53.935 0.300 1 1224 113 113 LEU CB C 47.052 0.300 1 1225 113 113 LEU CD1 C 26.507 0.300 2 1226 113 113 LEU CD2 C 23.190 0.300 2 1227 113 113 LEU CG C 27.510 0.300 1 1228 113 113 LEU N N 125.405 0.300 1 1229 114 114 LYS H H 8.429 0.030 1 1230 114 114 LYS HA H 5.669 0.030 1 1231 114 114 LYS HB2 H 1.705 0.030 2 1232 114 114 LYS HB3 H 1.641 0.030 2 1233 114 114 LYS HD2 H 1.566 0.030 1 1234 114 114 LYS HD3 H 1.566 0.030 1 1235 114 114 LYS HE2 H 2.882 0.030 1 1236 114 114 LYS HE3 H 2.882 0.030 1 1237 114 114 LYS HG2 H 1.069 0.030 2 1238 114 114 LYS HG3 H 1.650 0.030 2 1239 114 114 LYS C C 176.859 0.300 1 1240 114 114 LYS CA C 54.609 0.300 1 1241 114 114 LYS CB C 36.745 0.300 1 1242 114 114 LYS CD C 29.552 0.300 1 1243 114 114 LYS CE C 42.006 0.300 1 1244 114 114 LYS CG C 23.644 0.300 1 1245 114 114 LYS N N 120.204 0.300 1 1246 115 115 THR H H 8.850 0.030 1 1247 115 115 THR HA H 4.429 0.030 1 1248 115 115 THR HB H 4.758 0.030 1 1249 115 115 THR HG2 H 1.127 0.030 1 1250 115 115 THR C C 176.079 0.300 1 1251 115 115 THR CA C 60.379 0.300 1 1252 115 115 THR CB C 70.473 0.300 1 1253 115 115 THR CG2 C 24.198 0.300 1 1254 115 115 THR N N 114.206 0.300 1 1255 116 116 ASN H H 7.796 0.030 1 1256 116 116 ASN HA H 4.708 0.030 1 1257 116 116 ASN HB2 H 2.287 0.030 2 1258 116 116 ASN HB3 H 3.095 0.030 2 1259 116 116 ASN HD21 H 6.962 0.030 2 1260 116 116 ASN HD22 H 7.745 0.030 2 1261 116 116 ASN C C 176.520 0.300 1 1262 116 116 ASN CA C 52.449 0.300 1 1263 116 116 ASN CB C 38.820 0.300 1 1264 116 116 ASN N N 118.558 0.300 1 1265 116 116 ASN ND2 N 112.097 0.300 1 1266 117 117 SER H H 8.668 0.030 1 1267 117 117 SER HA H 4.371 0.030 1 1268 117 117 SER HB2 H 3.855 0.030 2 1269 117 117 SER HB3 H 3.943 0.030 2 1270 117 117 SER C C 173.632 0.300 1 1271 117 117 SER CA C 59.430 0.300 1 1272 117 117 SER CB C 63.968 0.300 1 1273 117 117 SER N N 115.442 0.300 1 1274 118 118 GLN H H 8.533 0.030 1 1275 118 118 GLN HA H 4.457 0.030 1 1276 118 118 GLN HB2 H 1.976 0.030 2 1277 118 118 GLN HB3 H 1.898 0.030 2 1278 118 118 GLN HE21 H 6.850 0.030 2 1279 118 118 GLN HE22 H 7.451 0.030 2 1280 118 118 GLN HG2 H 2.247 0.030 1 1281 118 118 GLN HG3 H 2.247 0.030 1 1282 118 118 GLN C C 173.906 0.300 1 1283 118 118 GLN CA C 53.875 0.300 1 1284 118 118 GLN CB C 29.316 0.300 1 1285 118 118 GLN CG C 33.190 0.300 1 1286 118 118 GLN N N 121.475 0.300 1 1287 118 118 GLN NE2 N 112.036 0.300 1 1288 119 119 PRO HA H 4.264 0.030 1 1289 119 119 PRO HB2 H 1.961 0.030 2 1290 119 119 PRO HB3 H 1.689 0.030 2 1291 119 119 PRO HD2 H 3.488 0.030 2 1292 119 119 PRO HD3 H 3.353 0.030 2 1293 119 119 PRO HG2 H 1.752 0.030 2 1294 119 119 PRO HG3 H 1.639 0.030 2 1295 119 119 PRO C C 176.305 0.300 1 1296 119 119 PRO CA C 62.957 0.300 1 1297 119 119 PRO CB C 31.873 0.300 1 1298 119 119 PRO CD C 50.625 0.300 1 1299 119 119 PRO CG C 27.111 0.300 1 1300 120 120 PHE H H 8.231 0.030 1 1301 120 120 PHE HA H 4.552 0.030 1 1302 120 120 PHE HB2 H 3.076 0.030 1 1303 120 120 PHE HB3 H 3.076 0.030 1 1304 120 120 PHE HD1 H 7.249 0.030 1 1305 120 120 PHE HD2 H 7.249 0.030 1 1306 120 120 PHE C C 175.491 0.300 1 1307 120 120 PHE CA C 57.758 0.300 1 1308 120 120 PHE CB C 39.470 0.300 1 1309 120 120 PHE CD1 C 131.804 0.300 1 1310 120 120 PHE CD2 C 131.804 0.300 1 1311 120 120 PHE N N 120.663 0.300 1 1312 121 121 LYS H H 8.197 0.030 1 1313 121 121 LYS HA H 4.313 0.030 1 1314 121 121 LYS HB2 H 1.769 0.030 2 1315 121 121 LYS HB3 H 1.666 0.030 2 1316 121 121 LYS HD2 H 1.644 0.030 1 1317 121 121 LYS HD3 H 1.644 0.030 1 1318 121 121 LYS HE2 H 2.959 0.030 1 1319 121 121 LYS HE3 H 2.959 0.030 1 1320 121 121 LYS HG2 H 1.343 0.030 1 1321 121 121 LYS HG3 H 1.343 0.030 1 1322 121 121 LYS C C 175.820 0.300 1 1323 121 121 LYS CA C 55.936 0.300 1 1324 121 121 LYS CB C 33.359 0.300 1 1325 121 121 LYS CD C 29.142 0.300 1 1326 121 121 LYS CE C 42.143 0.300 1 1327 121 121 LYS CG C 24.558 0.300 1 1328 121 121 LYS N N 123.876 0.300 1 1329 122 122 SER H H 8.292 0.030 1 1330 122 122 SER HA H 4.435 0.030 1 1331 122 122 SER HB2 H 3.843 0.030 2 1332 122 122 SER C C 174.441 0.300 1 1333 122 122 SER CA C 58.228 0.300 1 1334 122 122 SER CB C 64.047 0.300 1 1335 122 122 SER N N 117.794 0.300 1 1336 123 123 GLY H H 8.273 0.030 1 1337 123 123 GLY HA2 H 4.126 0.030 1 1338 123 123 GLY HA3 H 4.126 0.030 1 1339 123 123 GLY C C 171.766 0.300 1 1340 123 123 GLY CA C 44.676 0.300 1 1341 123 123 GLY N N 110.733 0.300 1 1342 124 124 PRO HA H 4.469 0.030 1 1343 124 124 PRO HB2 H 2.297 0.030 2 1344 124 124 PRO HB3 H 1.976 0.030 2 1345 124 124 PRO HD2 H 3.628 0.030 1 1346 124 124 PRO HD3 H 3.628 0.030 1 1347 124 124 PRO HG2 H 2.014 0.030 2 1348 124 124 PRO C C 177.457 0.300 1 1349 124 124 PRO CA C 63.275 0.300 1 1350 124 124 PRO CB C 32.164 0.300 1 1351 124 124 PRO CD C 49.795 0.300 1 1352 124 124 PRO CG C 27.149 0.300 1 1353 125 125 SER H H 8.528 0.030 1 1354 125 125 SER HA H 4.504 0.030 1 1355 125 125 SER HB2 H 3.901 0.030 2 1356 125 125 SER C C 174.655 0.300 1 1357 125 125 SER CA C 59.756 0.300 1 1358 125 125 SER CB C 63.783 0.300 1 1359 125 125 SER N N 116.381 0.300 1 1360 126 126 SER H H 8.311 0.030 1 1361 126 126 SER C C 173.891 0.300 1 1362 126 126 SER CA C 58.287 0.300 1 1363 126 126 SER CB C 64.277 0.300 1 1364 126 126 SER N N 117.776 0.300 1 stop_ save_