data_10111 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 6th HMG box of mouse UBF1 ; _BMRB_accession_number 10111 _BMRB_flat_file_name bmr10111.str _Entry_type new _Submission_date 2007-02-13 _Accession_date 2007-02-16 _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 Sato M. . . 2 Saito K. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 644 "13C chemical shifts" 452 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-25 update BMRB 'update entity name' 2008-08-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the 6th HMG box of mouse UBF1' _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 Sato M. . . 2 Saito K. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 'Nucleolar transcription factor 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Nucleolar transcription factor 1' $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 'Nucleolar transcription factor 1' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GSSGSSGPKKPPMNGYQKFS QELLSNGELNHLPLKERMVE IGSRWQRISQSQKEHYKKLA EEQQRQYKVHLDLWVKSLSP QDRAAYKEYISNKRKSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 LYS 10 LYS 11 PRO 12 PRO 13 MET 14 ASN 15 GLY 16 TYR 17 GLN 18 LYS 19 PHE 20 SER 21 GLN 22 GLU 23 LEU 24 LEU 25 SER 26 ASN 27 GLY 28 GLU 29 LEU 30 ASN 31 HIS 32 LEU 33 PRO 34 LEU 35 LYS 36 GLU 37 ARG 38 MET 39 VAL 40 GLU 41 ILE 42 GLY 43 SER 44 ARG 45 TRP 46 GLN 47 ARG 48 ILE 49 SER 50 GLN 51 SER 52 GLN 53 LYS 54 GLU 55 HIS 56 TYR 57 LYS 58 LYS 59 LEU 60 ALA 61 GLU 62 GLU 63 GLN 64 GLN 65 ARG 66 GLN 67 TYR 68 LYS 69 VAL 70 HIS 71 LEU 72 ASP 73 LEU 74 TRP 75 VAL 76 LYS 77 SER 78 LEU 79 SER 80 PRO 81 GLN 82 ASP 83 ARG 84 ALA 85 ALA 86 TYR 87 LYS 88 GLU 89 TYR 90 ILE 91 SER 92 ASN 93 LYS 94 ARG 95 LYS 96 SER 97 GLY 98 PRO 99 SER 100 SER 101 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 1V63 "Solution Structure Of The 6th Hmg Box Of Mouse Ubf1" 100.00 101 100.00 100.00 4.77e-65 DBJ BAE01971 "unnamed protein product [Macaca fascicularis]" 88.12 400 98.88 100.00 5.01e-55 DBJ BAE90957 "unnamed protein product [Macaca fascicularis]" 88.12 452 98.88 100.00 2.13e-54 GB ERE68360 "nucleolar transcription factor 1 [Cricetulus griseus]" 88.12 620 97.75 100.00 2.48e-52 GB KFO25262 "Band 3 anion transport protein [Fukomys damarensis]" 68.32 1806 98.55 100.00 4.20e-37 REF XP_010641312 "PREDICTED: nucleolar transcription factor 1, partial [Fukomys damarensis]" 84.16 544 98.82 100.00 6.74e-50 REF XP_537622 "PREDICTED: nucleolar transcription factor 1 [Canis lupus familiaris]" 88.12 552 98.88 100.00 5.26e-53 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 mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P030107-54 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.2 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.816 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Nucleolar transcription factor 1' _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 2 2 SER HA H 4.578 0.030 1 2 2 2 SER HB2 H 3.941 0.030 2 3 2 2 SER HB3 H 3.879 0.030 2 4 2 2 SER C C 174.833 0.300 1 5 2 2 SER CA C 58.331 0.300 1 6 2 2 SER CB C 63.831 0.300 1 7 3 3 SER H H 8.608 0.030 1 8 3 3 SER HA H 4.503 0.030 1 9 3 3 SER HB2 H 3.926 0.030 2 10 3 3 SER HB3 H 3.864 0.030 2 11 3 3 SER C C 175.174 0.300 1 12 3 3 SER CA C 58.720 0.300 1 13 3 3 SER CB C 63.790 0.300 1 14 3 3 SER N N 118.224 0.300 1 15 4 4 GLY H H 8.494 0.030 1 16 4 4 GLY HA2 H 4.040 0.030 1 17 4 4 GLY HA3 H 4.040 0.030 1 18 4 4 GLY C C 174.360 0.300 1 19 4 4 GLY CA C 45.535 0.300 1 20 4 4 GLY N N 110.897 0.300 1 21 5 5 SER H H 8.250 0.030 1 22 5 5 SER HA H 4.515 0.030 1 23 5 5 SER HB2 H 3.938 0.030 1 24 5 5 SER HB3 H 3.938 0.030 1 25 5 5 SER C C 174.686 0.300 1 26 5 5 SER CA C 58.420 0.300 1 27 5 5 SER CB C 63.849 0.300 1 28 5 5 SER N N 115.475 0.300 1 29 6 6 SER H H 8.303 0.030 1 30 6 6 SER HA H 4.515 0.030 1 31 6 6 SER HB2 H 3.926 0.030 2 32 6 6 SER HB3 H 3.864 0.030 2 33 6 6 SER C C 173.933 0.300 1 34 6 6 SER CA C 58.403 0.300 1 35 6 6 SER CB C 64.014 0.300 1 36 6 6 SER N N 117.737 0.300 1 37 7 7 GLY H H 7.863 0.030 1 38 7 7 GLY HA2 H 3.936 0.030 1 39 7 7 GLY HA3 H 3.936 0.030 1 40 7 7 GLY C C 171.212 0.300 1 41 7 7 GLY CA C 43.530 0.300 1 42 7 7 GLY N N 110.496 0.300 1 43 8 8 PRO HA H 4.290 0.030 1 44 8 8 PRO HB2 H 2.208 0.030 2 45 8 8 PRO HB3 H 1.937 0.030 2 46 8 8 PRO HG2 H 1.729 0.030 2 47 8 8 PRO HG3 H 1.597 0.030 2 48 8 8 PRO HD2 H 3.030 0.030 2 49 8 8 PRO HD3 H 2.905 0.030 2 50 8 8 PRO C C 176.514 0.300 1 51 8 8 PRO CA C 62.556 0.300 1 52 8 8 PRO CB C 31.741 0.300 1 53 8 8 PRO CG C 26.999 0.300 1 54 8 8 PRO CD C 48.956 0.300 1 55 9 9 LYS H H 8.427 0.030 1 56 9 9 LYS HA H 4.170 0.030 1 57 9 9 LYS HB2 H 1.719 0.030 1 58 9 9 LYS HB3 H 1.719 0.030 1 59 9 9 LYS HG2 H 1.447 0.030 1 60 9 9 LYS HG3 H 1.447 0.030 1 61 9 9 LYS HD2 H 1.642 0.030 1 62 9 9 LYS HD3 H 1.642 0.030 1 63 9 9 LYS HE2 H 2.988 0.030 1 64 9 9 LYS HE3 H 2.988 0.030 1 65 9 9 LYS C C 176.366 0.300 1 66 9 9 LYS CA C 56.188 0.300 1 67 9 9 LYS CB C 32.909 0.300 1 68 9 9 LYS CG C 24.853 0.300 1 69 9 9 LYS CD C 29.142 0.300 1 70 9 9 LYS CE C 42.243 0.300 1 71 9 9 LYS N N 122.854 0.300 1 72 10 10 LYS H H 8.334 0.030 1 73 10 10 LYS HA H 3.839 0.030 1 74 10 10 LYS HB2 H 1.647 0.030 2 75 10 10 LYS HB3 H 1.589 0.030 2 76 10 10 LYS HG2 H 1.447 0.030 2 77 10 10 LYS HG3 H 1.360 0.030 2 78 10 10 LYS HD2 H 1.643 0.030 1 79 10 10 LYS HD3 H 1.643 0.030 1 80 10 10 LYS HE2 H 3.000 0.030 1 81 10 10 LYS HE3 H 3.000 0.030 1 82 10 10 LYS C C 174.639 0.300 1 83 10 10 LYS CA C 54.722 0.300 1 84 10 10 LYS CB C 31.797 0.300 1 85 10 10 LYS CG C 25.210 0.300 1 86 10 10 LYS CD C 29.374 0.300 1 87 10 10 LYS CE C 42.674 0.300 1 88 10 10 LYS N N 124.158 0.300 1 89 11 11 PRO HA H 4.738 0.030 1 90 11 11 PRO HB2 H 2.047 0.030 2 91 11 11 PRO HB3 H 1.815 0.030 2 92 11 11 PRO HG2 H 1.739 0.030 2 93 11 11 PRO HG3 H 1.795 0.030 2 94 11 11 PRO HD2 H 3.062 0.030 2 95 11 11 PRO HD3 H 2.924 0.030 2 96 11 11 PRO CA C 61.393 0.300 1 97 11 11 PRO CB C 30.609 0.300 1 98 11 11 PRO CG C 26.799 0.300 1 99 11 11 PRO CD C 51.114 0.300 1 100 12 12 PRO HA H 4.436 0.030 1 101 12 12 PRO HB2 H 2.076 0.030 2 102 12 12 PRO HB3 H 1.898 0.030 2 103 12 12 PRO HG2 H 2.084 0.030 2 104 12 12 PRO HG3 H 2.010 0.030 2 105 12 12 PRO HD2 H 3.749 0.030 2 106 12 12 PRO HD3 H 3.542 0.030 2 107 12 12 PRO CA C 62.386 0.300 1 108 12 12 PRO CB C 31.848 0.300 1 109 12 12 PRO CG C 27.685 0.300 1 110 12 12 PRO CD C 50.313 0.300 1 111 13 13 MET H H 8.404 0.030 1 112 13 13 MET HA H 4.371 0.030 1 113 13 13 MET HB2 H 2.081 0.030 2 114 13 13 MET HB3 H 1.908 0.030 2 115 13 13 MET HG2 H 2.672 0.030 2 116 13 13 MET HG3 H 2.554 0.030 2 117 13 13 MET HE H 2.054 0.030 1 118 13 13 MET CA C 55.754 0.300 1 119 13 13 MET CB C 33.049 0.300 1 120 13 13 MET CG C 32.047 0.300 1 121 13 13 MET CE C 16.671 0.300 1 122 13 13 MET N N 118.762 0.300 1 123 14 14 ASN H H 8.421 0.030 1 124 14 14 ASN HA H 4.737 0.030 1 125 14 14 ASN HB2 H 3.271 0.030 2 126 14 14 ASN HB3 H 3.190 0.030 2 127 14 14 ASN HD21 H 7.573 0.030 2 128 14 14 ASN HD22 H 6.899 0.030 2 129 14 14 ASN C C 175.076 0.300 1 130 14 14 ASN CA C 51.716 0.300 1 131 14 14 ASN CB C 39.175 0.300 1 132 14 14 ASN ND2 N 112.663 0.300 1 133 15 15 GLY H H 9.217 0.030 1 134 15 15 GLY HA2 H 3.845 0.030 1 135 15 15 GLY HA3 H 3.845 0.030 1 136 15 15 GLY C C 173.884 0.300 1 137 15 15 GLY CA C 46.941 0.300 1 138 15 15 GLY N N 107.175 0.300 1 139 16 16 TYR H H 8.088 0.030 1 140 16 16 TYR HA H 2.498 0.030 1 141 16 16 TYR HB2 H 2.401 0.030 2 142 16 16 TYR HB3 H 1.999 0.030 2 143 16 16 TYR HD1 H 5.988 0.030 1 144 16 16 TYR HD2 H 5.988 0.030 1 145 16 16 TYR HE1 H 6.551 0.030 1 146 16 16 TYR HE2 H 6.551 0.030 1 147 16 16 TYR C C 178.167 0.300 1 148 16 16 TYR CA C 60.136 0.300 1 149 16 16 TYR CB C 37.368 0.300 1 150 16 16 TYR CD1 C 132.615 0.300 1 151 16 16 TYR CD2 C 132.615 0.300 1 152 16 16 TYR CE1 C 117.639 0.300 1 153 16 16 TYR CE2 C 117.639 0.300 1 154 16 16 TYR N N 123.978 0.300 1 155 17 17 GLN H H 8.558 0.030 1 156 17 17 GLN HA H 3.696 0.030 1 157 17 17 GLN HB2 H 2.087 0.030 2 158 17 17 GLN HB3 H 1.905 0.030 2 159 17 17 GLN HG2 H 2.727 0.030 2 160 17 17 GLN HG3 H 2.450 0.030 2 161 17 17 GLN HE21 H 7.537 0.030 2 162 17 17 GLN HE22 H 6.963 0.030 2 163 17 17 GLN C C 178.398 0.300 1 164 17 17 GLN CA C 59.036 0.300 1 165 17 17 GLN CB C 28.266 0.300 1 166 17 17 GLN CG C 34.250 0.300 1 167 17 17 GLN N N 118.997 0.300 1 168 17 17 GLN NE2 N 112.192 0.300 1 169 18 18 LYS H H 7.651 0.030 1 170 18 18 LYS HA H 4.101 0.030 1 171 18 18 LYS HB2 H 2.469 0.030 2 172 18 18 LYS HB3 H 1.752 0.030 2 173 18 18 LYS HG2 H 1.778 0.030 2 174 18 18 LYS HG3 H 1.625 0.030 2 175 18 18 LYS HD2 H 1.810 0.030 2 176 18 18 LYS HE2 H 2.988 0.030 2 177 18 18 LYS HE3 H 2.935 0.030 2 178 18 18 LYS C C 176.818 0.300 1 179 18 18 LYS CA C 58.468 0.300 1 180 18 18 LYS CB C 32.497 0.300 1 181 18 18 LYS CG C 25.250 0.300 1 182 18 18 LYS CD C 29.126 0.300 1 183 18 18 LYS CE C 42.113 0.300 1 184 18 18 LYS N N 120.945 0.300 1 185 19 19 PHE H H 8.267 0.030 1 186 19 19 PHE HA H 3.726 0.030 1 187 19 19 PHE HB2 H 2.625 0.030 2 188 19 19 PHE HB3 H 2.321 0.030 2 189 19 19 PHE HD1 H 6.580 0.030 1 190 19 19 PHE HD2 H 6.580 0.030 1 191 19 19 PHE HE1 H 7.537 0.030 1 192 19 19 PHE HE2 H 7.537 0.030 1 193 19 19 PHE HZ H 7.176 0.030 1 194 19 19 PHE C C 176.670 0.300 1 195 19 19 PHE CA C 61.357 0.300 1 196 19 19 PHE CB C 40.191 0.300 1 197 19 19 PHE CD1 C 132.282 0.300 1 198 19 19 PHE CD2 C 132.282 0.300 1 199 19 19 PHE CE1 C 131.696 0.300 1 200 19 19 PHE CE2 C 131.696 0.300 1 201 19 19 PHE CZ C 129.626 0.300 1 202 19 19 PHE N N 121.744 0.300 1 203 20 20 SER H H 8.435 0.030 1 204 20 20 SER HA H 3.690 0.030 1 205 20 20 SER HB2 H 3.529 0.030 2 206 20 20 SER HB3 H 3.429 0.030 2 207 20 20 SER C C 175.417 0.300 1 208 20 20 SER CA C 61.462 0.300 1 209 20 20 SER CB C 62.833 0.300 1 210 20 20 SER N N 113.205 0.300 1 211 21 21 GLN H H 7.909 0.030 1 212 21 21 GLN HA H 3.852 0.030 1 213 21 21 GLN HB2 H 2.170 0.030 1 214 21 21 GLN HB3 H 2.170 0.030 1 215 21 21 GLN HG2 H 2.564 0.030 2 216 21 21 GLN HG3 H 2.316 0.030 2 217 21 21 GLN HE21 H 7.396 0.030 2 218 21 21 GLN HE22 H 6.724 0.030 2 219 21 21 GLN C C 179.136 0.300 1 220 21 21 GLN CA C 59.075 0.300 1 221 21 21 GLN CB C 28.190 0.300 1 222 21 21 GLN CG C 34.129 0.300 1 223 21 21 GLN N N 119.238 0.300 1 224 21 21 GLN NE2 N 110.902 0.300 1 225 22 22 GLU H H 7.971 0.030 1 226 22 22 GLU HA H 3.963 0.030 1 227 22 22 GLU HB2 H 2.193 0.030 2 228 22 22 GLU HB3 H 2.148 0.030 2 229 22 22 GLU HG2 H 2.461 0.030 2 230 22 22 GLU HG3 H 2.214 0.030 2 231 22 22 GLU C C 178.683 0.300 1 232 22 22 GLU CA C 59.629 0.300 1 233 22 22 GLU CB C 29.801 0.300 1 234 22 22 GLU CG C 36.499 0.300 1 235 22 22 GLU N N 120.862 0.300 1 236 23 23 LEU H H 7.639 0.030 1 237 23 23 LEU HA H 4.022 0.030 1 238 23 23 LEU HB2 H 1.394 0.030 2 239 23 23 LEU HB3 H 1.192 0.030 2 240 23 23 LEU HG H 1.356 0.030 1 241 23 23 LEU HD1 H 0.666 0.030 1 242 23 23 LEU HD2 H 0.449 0.030 1 243 23 23 LEU C C 180.181 0.300 1 244 23 23 LEU CA C 57.883 0.300 1 245 23 23 LEU CB C 41.882 0.300 1 246 23 23 LEU CG C 28.702 0.300 1 247 23 23 LEU CD1 C 24.540 0.300 2 248 23 23 LEU CD2 C 25.666 0.300 2 249 23 23 LEU N N 120.104 0.300 1 250 24 24 LEU H H 8.400 0.030 1 251 24 24 LEU HA H 4.014 0.030 1 252 24 24 LEU HB2 H 1.762 0.030 2 253 24 24 LEU HB3 H 1.395 0.030 2 254 24 24 LEU HG H 1.684 0.030 1 255 24 24 LEU HD1 H 0.691 0.030 1 256 24 24 LEU HD2 H 0.748 0.030 1 257 24 24 LEU C C 179.778 0.300 1 258 24 24 LEU CA C 57.314 0.300 1 259 24 24 LEU CB C 41.835 0.300 1 260 24 24 LEU CG C 26.730 0.300 1 261 24 24 LEU CD1 C 25.140 0.300 2 262 24 24 LEU CD2 C 22.992 0.300 2 263 24 24 LEU N N 118.673 0.300 1 264 25 25 SER H H 7.984 0.030 1 265 25 25 SER HA H 4.361 0.030 1 266 25 25 SER HB2 H 3.951 0.030 1 267 25 25 SER HB3 H 3.951 0.030 1 268 25 25 SER C C 175.551 0.300 1 269 25 25 SER CA C 60.583 0.300 1 270 25 25 SER CB C 63.685 0.300 1 271 25 25 SER N N 113.504 0.300 1 272 26 26 ASN H H 7.825 0.030 1 273 26 26 ASN HA H 4.672 0.030 1 274 26 26 ASN HB2 H 3.139 0.030 2 275 26 26 ASN HB3 H 2.950 0.030 2 276 26 26 ASN HD21 H 7.573 0.030 2 277 26 26 ASN HD22 H 6.843 0.030 2 278 26 26 ASN C C 177.206 0.300 1 279 26 26 ASN CA C 54.237 0.300 1 280 26 26 ASN CB C 38.635 0.300 1 281 26 26 ASN N N 119.188 0.300 1 282 26 26 ASN ND2 N 110.386 0.300 1 283 27 27 GLY H H 7.546 0.030 1 284 27 27 GLY HA2 H 4.213 0.030 2 285 27 27 GLY HA3 H 3.824 0.030 2 286 27 27 GLY C C 176.439 0.300 1 287 27 27 GLY CA C 46.239 0.300 1 288 27 27 GLY N N 106.400 0.300 1 289 28 28 GLU H H 8.604 0.030 1 290 28 28 GLU HA H 4.167 0.030 1 291 28 28 GLU HB2 H 2.167 0.030 2 292 28 28 GLU HB3 H 2.053 0.030 2 293 28 28 GLU HG2 H 2.295 0.030 1 294 28 28 GLU HG3 H 2.295 0.030 1 295 28 28 GLU C C 177.036 0.300 1 296 28 28 GLU CA C 59.141 0.300 1 297 28 28 GLU CB C 30.157 0.300 1 298 28 28 GLU CG C 36.674 0.300 1 299 28 28 GLU N N 121.297 0.300 1 300 29 29 LEU H H 8.759 0.030 1 301 29 29 LEU HA H 4.689 0.030 1 302 29 29 LEU HB2 H 1.669 0.030 1 303 29 29 LEU HB3 H 1.669 0.030 1 304 29 29 LEU HG H 1.533 0.030 1 305 29 29 LEU HD1 H 0.873 0.030 1 306 29 29 LEU HD2 H 0.812 0.030 1 307 29 29 LEU C C 177.899 0.300 1 308 29 29 LEU CA C 53.463 0.300 1 309 29 29 LEU CB C 41.714 0.300 1 310 29 29 LEU CG C 26.917 0.300 1 311 29 29 LEU CD1 C 23.130 0.300 2 312 29 29 LEU CD2 C 27.084 0.300 2 313 29 29 LEU N N 115.272 0.300 1 314 30 30 ASN H H 7.438 0.030 1 315 30 30 ASN HA H 4.279 0.030 1 316 30 30 ASN HB2 H 2.923 0.030 1 317 30 30 ASN HB3 H 2.923 0.030 1 318 30 30 ASN HD21 H 7.729 0.030 2 319 30 30 ASN HD22 H 7.190 0.030 2 320 30 30 ASN C C 175.077 0.300 1 321 30 30 ASN CA C 55.373 0.300 1 322 30 30 ASN CB C 37.654 0.300 1 323 30 30 ASN N N 118.191 0.300 1 324 30 30 ASN ND2 N 111.458 0.300 1 325 31 31 HIS HA H 4.535 0.030 1 326 31 31 HIS HB2 H 3.251 0.030 2 327 31 31 HIS HB3 H 3.013 0.030 2 328 31 31 HIS HD2 H 7.076 0.030 1 329 31 31 HIS HE1 H 8.124 0.030 1 330 31 31 HIS CA C 56.813 0.300 1 331 31 31 HIS CB C 29.356 0.300 1 332 31 31 HIS CD2 C 118.710 0.300 1 333 31 31 HIS CE1 C 138.984 0.300 1 334 32 32 LEU H H 7.349 0.030 1 335 32 32 LEU HA H 4.655 0.030 1 336 32 32 LEU HB2 H 1.597 0.030 2 337 32 32 LEU HB3 H 1.196 0.030 2 338 32 32 LEU HG H 0.713 0.030 1 339 32 32 LEU HD1 H 0.783 0.030 1 340 32 32 LEU HD2 H 0.799 0.030 1 341 32 32 LEU CA C 51.777 0.300 1 342 32 32 LEU CB C 42.280 0.300 1 343 32 32 LEU CG C 26.144 0.300 1 344 32 32 LEU CD1 C 26.043 0.300 2 345 32 32 LEU CD2 C 22.678 0.300 2 346 32 32 LEU N N 122.970 0.300 1 347 33 33 PRO HA H 4.497 0.030 1 348 33 33 PRO HB2 H 2.460 0.030 2 349 33 33 PRO HB3 H 2.078 0.030 2 350 33 33 PRO HG2 H 2.092 0.030 1 351 33 33 PRO HG3 H 2.092 0.030 1 352 33 33 PRO HD2 H 3.954 0.030 2 353 33 33 PRO HD3 H 3.539 0.030 2 354 33 33 PRO C C 177.098 0.300 1 355 33 33 PRO CA C 62.398 0.300 1 356 33 33 PRO CB C 32.074 0.300 1 357 33 33 PRO CG C 28.033 0.300 1 358 33 33 PRO CD C 50.599 0.300 1 359 34 34 LEU H H 8.605 0.030 1 360 34 34 LEU HA H 3.730 0.030 1 361 34 34 LEU HB2 H 1.745 0.030 2 362 34 34 LEU HB3 H 1.621 0.030 2 363 34 34 LEU HG H 1.619 0.030 1 364 34 34 LEU HD1 H 0.929 0.030 1 365 34 34 LEU HD2 H 0.944 0.030 1 366 34 34 LEU C C 178.033 0.300 1 367 34 34 LEU CA C 59.596 0.300 1 368 34 34 LEU CB C 42.015 0.300 1 369 34 34 LEU CG C 27.082 0.300 1 370 34 34 LEU CD1 C 25.070 0.300 2 371 34 34 LEU CD2 C 23.786 0.300 2 372 34 34 LEU N N 123.426 0.300 1 373 35 35 LYS H H 8.846 0.030 1 374 35 35 LYS HA H 3.992 0.030 1 375 35 35 LYS HB2 H 1.899 0.030 2 376 35 35 LYS HB3 H 1.794 0.030 2 377 35 35 LYS HG2 H 1.525 0.030 2 378 35 35 LYS HG3 H 1.369 0.030 2 379 35 35 LYS HD2 H 1.721 0.030 1 380 35 35 LYS HD3 H 1.721 0.030 1 381 35 35 LYS HE2 H 3.002 0.030 1 382 35 35 LYS HE3 H 3.002 0.030 1 383 35 35 LYS C C 179.104 0.300 1 384 35 35 LYS CA C 60.232 0.300 1 385 35 35 LYS CB C 32.021 0.300 1 386 35 35 LYS CG C 24.989 0.300 1 387 35 35 LYS CD C 29.471 0.300 1 388 35 35 LYS CE C 42.161 0.300 1 389 35 35 LYS N N 116.803 0.300 1 390 36 36 GLU H H 7.751 0.030 1 391 36 36 GLU HA H 4.118 0.030 1 392 36 36 GLU HB2 H 2.128 0.030 2 393 36 36 GLU HB3 H 2.052 0.030 2 394 36 36 GLU HG2 H 2.440 0.030 2 395 36 36 GLU HG3 H 2.345 0.030 2 396 36 36 GLU C C 179.408 0.300 1 397 36 36 GLU CA C 59.212 0.300 1 398 36 36 GLU CB C 29.943 0.300 1 399 36 36 GLU CG C 37.299 0.300 1 400 36 36 GLU N N 118.438 0.300 1 401 37 37 ARG H H 8.735 0.030 1 402 37 37 ARG HA H 3.796 0.030 1 403 37 37 ARG HB2 H 2.042 0.030 2 404 37 37 ARG HB3 H 1.777 0.030 2 405 37 37 ARG HG2 H 1.870 0.030 2 406 37 37 ARG HG3 H 1.660 0.030 2 407 37 37 ARG HD2 H 3.140 0.030 2 408 37 37 ARG HD3 H 2.872 0.030 2 409 37 37 ARG HE H 6.613 0.030 1 410 37 37 ARG C C 177.948 0.300 1 411 37 37 ARG CA C 60.131 0.300 1 412 37 37 ARG CB C 30.891 0.300 1 413 37 37 ARG CG C 27.434 0.300 1 414 37 37 ARG CD C 44.265 0.300 1 415 37 37 ARG N N 122.261 0.300 1 416 37 37 ARG NE N 120.516 0.300 1 417 38 38 MET H H 8.049 0.030 1 418 38 38 MET HA H 4.353 0.030 1 419 38 38 MET HB2 H 2.232 0.030 2 420 38 38 MET HB3 H 2.133 0.030 2 421 38 38 MET HG2 H 2.762 0.030 1 422 38 38 MET HG3 H 2.762 0.030 1 423 38 38 MET HE H 2.051 0.030 1 424 38 38 MET C C 180.309 0.300 1 425 38 38 MET CA C 57.172 0.300 1 426 38 38 MET CB C 29.737 0.300 1 427 38 38 MET CG C 31.432 0.300 1 428 38 38 MET CE C 15.901 0.300 1 429 38 38 MET N N 114.150 0.300 1 430 39 39 VAL H H 7.559 0.030 1 431 39 39 VAL HA H 3.805 0.030 1 432 39 39 VAL HB H 2.212 0.030 1 433 39 39 VAL HG1 H 1.149 0.030 1 434 39 39 VAL HG2 H 1.039 0.030 1 435 39 39 VAL C C 178.703 0.300 1 436 39 39 VAL CA C 66.297 0.300 1 437 39 39 VAL CB C 32.069 0.300 1 438 39 39 VAL CG1 C 22.528 0.300 2 439 39 39 VAL CG2 C 21.067 0.300 2 440 39 39 VAL N N 122.150 0.300 1 441 40 40 GLU H H 7.918 0.030 1 442 40 40 GLU HA H 4.343 0.030 1 443 40 40 GLU HB2 H 2.176 0.030 2 444 40 40 GLU HB3 H 2.020 0.030 2 445 40 40 GLU HG2 H 2.415 0.030 2 446 40 40 GLU HG3 H 2.075 0.030 2 447 40 40 GLU C C 178.751 0.300 1 448 40 40 GLU CA C 58.738 0.300 1 449 40 40 GLU CB C 28.482 0.300 1 450 40 40 GLU CG C 35.096 0.300 1 451 40 40 GLU N N 122.012 0.300 1 452 41 41 ILE H H 8.488 0.030 1 453 41 41 ILE HA H 3.556 0.030 1 454 41 41 ILE HB H 1.937 0.030 1 455 41 41 ILE HG12 H 1.923 0.030 2 456 41 41 ILE HG13 H 0.791 0.030 2 457 41 41 ILE HG2 H 0.976 0.030 1 458 41 41 ILE HD1 H 0.769 0.030 1 459 41 41 ILE C C 178.179 0.300 1 460 41 41 ILE CA C 67.011 0.300 1 461 41 41 ILE CB C 38.270 0.300 1 462 41 41 ILE CG1 C 30.648 0.300 1 463 41 41 ILE CG2 C 17.486 0.300 1 464 41 41 ILE CD1 C 13.798 0.300 1 465 41 41 ILE N N 120.871 0.300 1 466 42 42 GLY H H 8.107 0.030 1 467 42 42 GLY HA2 H 4.125 0.030 2 468 42 42 GLY HA3 H 4.116 0.030 2 469 42 42 GLY C C 176.987 0.300 1 470 42 42 GLY CA C 48.165 0.300 1 471 42 42 GLY N N 106.924 0.300 1 472 43 43 SER H H 8.309 0.030 1 473 43 43 SER HA H 4.363 0.030 1 474 43 43 SER HB2 H 4.087 0.030 1 475 43 43 SER HB3 H 4.087 0.030 1 476 43 43 SER C C 177.412 0.300 1 477 43 43 SER CA C 61.357 0.300 1 478 43 43 SER CB C 62.963 0.300 1 479 43 43 SER N N 118.646 0.300 1 480 44 44 ARG H H 8.701 0.030 1 481 44 44 ARG HA H 4.093 0.030 1 482 44 44 ARG HB2 H 2.295 0.030 2 483 44 44 ARG HB3 H 2.209 0.030 2 484 44 44 ARG HG2 H 2.161 0.030 2 485 44 44 ARG HG3 H 1.788 0.030 2 486 44 44 ARG HD2 H 3.410 0.030 2 487 44 44 ARG HD3 H 2.968 0.030 2 488 44 44 ARG C C 179.518 0.300 1 489 44 44 ARG CA C 59.804 0.300 1 490 44 44 ARG CB C 29.962 0.300 1 491 44 44 ARG CG C 28.483 0.300 1 492 44 44 ARG CD C 43.746 0.300 1 493 44 44 ARG N N 121.145 0.300 1 494 45 45 TRP H H 8.738 0.030 1 495 45 45 TRP HA H 3.834 0.030 1 496 45 45 TRP HB2 H 3.439 0.030 2 497 45 45 TRP HB3 H 3.350 0.030 2 498 45 45 TRP HD1 H 7.058 0.030 1 499 45 45 TRP HE1 H 10.086 0.030 1 500 45 45 TRP HE3 H 5.914 0.030 1 501 45 45 TRP HZ2 H 7.518 0.030 1 502 45 45 TRP HH2 H 7.111 0.030 1 503 45 45 TRP C C 177.254 0.300 1 504 45 45 TRP CA C 59.352 0.300 1 505 45 45 TRP CB C 30.125 0.300 1 506 45 45 TRP CD1 C 127.525 0.300 1 507 45 45 TRP CE3 C 121.474 0.300 1 508 45 45 TRP CZ2 C 113.947 0.300 1 509 45 45 TRP CZ3 C 121.687 0.300 1 510 45 45 TRP CH2 C 123.737 0.300 1 511 45 45 TRP N N 120.729 0.300 1 512 45 45 TRP NE1 N 128.348 0.300 1 513 46 46 GLN H H 7.736 0.030 1 514 46 46 GLN HA H 3.795 0.030 1 515 46 46 GLN HB2 H 2.274 0.030 1 516 46 46 GLN HB3 H 2.274 0.030 1 517 46 46 GLN HG2 H 2.625 0.030 2 518 46 46 GLN HG3 H 2.586 0.030 2 519 46 46 GLN HE21 H 7.617 0.030 2 520 46 46 GLN HE22 H 6.914 0.030 2 521 46 46 GLN C C 177.887 0.300 1 522 46 46 GLN CA C 58.473 0.300 1 523 46 46 GLN CB C 28.532 0.300 1 524 46 46 GLN CG C 33.814 0.300 1 525 46 46 GLN N N 114.342 0.300 1 526 46 46 GLN NE2 N 112.174 0.300 1 527 47 47 ARG H H 7.247 0.030 1 528 47 47 ARG HA H 4.244 0.030 1 529 47 47 ARG HB2 H 2.015 0.030 2 530 47 47 ARG HB3 H 1.852 0.030 2 531 47 47 ARG HG2 H 1.828 0.030 2 532 47 47 ARG HG3 H 1.732 0.030 2 533 47 47 ARG HD2 H 3.257 0.030 2 534 47 47 ARG HD3 H 3.201 0.030 2 535 47 47 ARG C C 177.194 0.300 1 536 47 47 ARG CA C 56.786 0.300 1 537 47 47 ARG CB C 31.714 0.300 1 538 47 47 ARG CG C 27.823 0.300 1 539 47 47 ARG CD C 43.726 0.300 1 540 47 47 ARG N N 114.468 0.300 1 541 48 48 ILE H H 7.085 0.030 1 542 48 48 ILE HA H 4.353 0.030 1 543 48 48 ILE HB H 1.936 0.030 1 544 48 48 ILE HG12 H 1.273 0.030 2 545 48 48 ILE HG13 H 1.010 0.030 2 546 48 48 ILE HG2 H 0.954 0.030 1 547 48 48 ILE HD1 H 0.495 0.030 1 548 48 48 ILE C C 176.159 0.300 1 549 48 48 ILE CA C 61.971 0.300 1 550 48 48 ILE CB C 38.189 0.300 1 551 48 48 ILE CG1 C 25.457 0.300 1 552 48 48 ILE CG2 C 17.524 0.300 1 553 48 48 ILE CD1 C 13.918 0.300 1 554 48 48 ILE N N 117.640 0.300 1 555 49 49 SER H H 8.537 0.030 1 556 49 49 SER HA H 4.278 0.030 1 557 49 49 SER HB2 H 4.360 0.030 2 558 49 49 SER HB3 H 4.070 0.030 2 559 49 49 SER C C 174.748 0.300 1 560 49 49 SER CA C 57.946 0.300 1 561 49 49 SER CB C 65.102 0.300 1 562 49 49 SER N N 119.404 0.300 1 563 50 50 GLN H H 8.990 0.030 1 564 50 50 GLN HA H 3.866 0.030 1 565 50 50 GLN HB2 H 2.217 0.030 2 566 50 50 GLN HB3 H 2.065 0.030 2 567 50 50 GLN HG2 H 2.478 0.030 1 568 50 50 GLN HG3 H 2.478 0.030 1 569 50 50 GLN HE21 H 7.768 0.030 2 570 50 50 GLN HE22 H 6.890 0.030 2 571 50 50 GLN C C 178.641 0.300 1 572 50 50 GLN CA C 59.265 0.300 1 573 50 50 GLN CB C 27.760 0.300 1 574 50 50 GLN CG C 33.175 0.300 1 575 50 50 GLN N N 121.584 0.300 1 576 50 50 GLN NE2 N 112.885 0.300 1 577 51 51 SER H H 8.520 0.030 1 578 51 51 SER HA H 4.250 0.030 1 579 51 51 SER HB2 H 3.913 0.030 1 580 51 51 SER HB3 H 3.913 0.030 1 581 51 51 SER C C 177.978 0.300 1 582 51 51 SER CA C 61.444 0.300 1 583 51 51 SER CB C 62.235 0.300 1 584 51 51 SER N N 113.471 0.300 1 585 52 52 GLN H H 7.873 0.030 1 586 52 52 GLN HA H 4.308 0.030 1 587 52 52 GLN HB2 H 2.344 0.030 2 588 52 52 GLN HB3 H 2.176 0.030 2 589 52 52 GLN HG2 H 2.530 0.030 2 590 52 52 GLN HG3 H 2.412 0.030 2 591 52 52 GLN HE21 H 7.590 0.030 2 592 52 52 GLN HE22 H 6.889 0.030 2 593 52 52 GLN C C 178.666 0.300 1 594 52 52 GLN CA C 58.842 0.300 1 595 52 52 GLN CB C 29.077 0.300 1 596 52 52 GLN CG C 35.022 0.300 1 597 52 52 GLN N N 124.138 0.300 1 598 52 52 GLN NE2 N 112.116 0.300 1 599 53 53 LYS H H 8.517 0.030 1 600 53 53 LYS HA H 3.947 0.030 1 601 53 53 LYS HB2 H 1.875 0.030 2 602 53 53 LYS HB3 H 1.645 0.030 2 603 53 53 LYS HG2 H 1.058 0.030 2 604 53 53 LYS HG3 H -0.683 0.030 2 605 53 53 LYS HD2 H 1.163 0.030 1 606 53 53 LYS HD3 H 1.163 0.030 1 607 53 53 LYS HE2 H 2.278 0.030 2 608 53 53 LYS HE3 H 1.539 0.030 2 609 53 53 LYS C C 180.442 0.300 1 610 53 53 LYS CA C 61.550 0.300 1 611 53 53 LYS CB C 32.580 0.300 1 612 53 53 LYS CG C 25.846 0.300 1 613 53 53 LYS CD C 29.660 0.300 1 614 53 53 LYS CE C 42.327 0.300 1 615 53 53 LYS N N 121.308 0.300 1 616 54 54 GLU H H 8.374 0.030 1 617 54 54 GLU HA H 4.152 0.030 1 618 54 54 GLU HB2 H 2.254 0.030 2 619 54 54 GLU HB3 H 2.169 0.030 2 620 54 54 GLU HG2 H 2.485 0.030 2 621 54 54 GLU HG3 H 2.451 0.030 2 622 54 54 GLU C C 178.678 0.300 1 623 54 54 GLU CA C 59.106 0.300 1 624 54 54 GLU CB C 29.138 0.300 1 625 54 54 GLU CG C 36.239 0.300 1 626 54 54 GLU N N 119.656 0.300 1 627 55 55 HIS H H 7.954 0.030 1 628 55 55 HIS HA H 4.471 0.030 1 629 55 55 HIS HB2 H 3.606 0.030 2 630 55 55 HIS HB3 H 3.223 0.030 2 631 55 55 HIS HD2 H 6.295 0.030 1 632 55 55 HIS HE1 H 8.185 0.030 1 633 55 55 HIS C C 177.984 0.300 1 634 55 55 HIS CA C 59.481 0.300 1 635 55 55 HIS CB C 28.936 0.300 1 636 55 55 HIS CD2 C 119.186 0.300 1 637 55 55 HIS CE1 C 137.766 0.300 1 638 55 55 HIS N N 120.753 0.300 1 639 56 56 TYR H H 8.220 0.030 1 640 56 56 TYR HA H 3.971 0.030 1 641 56 56 TYR HB2 H 3.562 0.030 2 642 56 56 TYR HB3 H 3.276 0.030 2 643 56 56 TYR HD1 H 7.386 0.030 1 644 56 56 TYR HD2 H 7.386 0.030 1 645 56 56 TYR HE1 H 7.116 0.030 1 646 56 56 TYR HE2 H 7.116 0.030 1 647 56 56 TYR C C 178.179 0.300 1 648 56 56 TYR CA C 64.680 0.300 1 649 56 56 TYR CB C 38.170 0.300 1 650 56 56 TYR CD1 C 133.077 0.300 1 651 56 56 TYR CD2 C 133.077 0.300 1 652 56 56 TYR CE1 C 118.504 0.300 1 653 56 56 TYR CE2 C 118.504 0.300 1 654 56 56 TYR N N 117.607 0.300 1 655 57 57 LYS H H 8.318 0.030 1 656 57 57 LYS HA H 3.905 0.030 1 657 57 57 LYS HB2 H 2.247 0.030 2 658 57 57 LYS HB3 H 2.213 0.030 2 659 57 57 LYS HG2 H 1.703 0.030 2 660 57 57 LYS HG3 H 1.445 0.030 2 661 57 57 LYS HD2 H 1.719 0.030 1 662 57 57 LYS HD3 H 1.719 0.030 1 663 57 57 LYS HE2 H 3.096 0.030 1 664 57 57 LYS HE3 H 3.096 0.030 1 665 57 57 LYS C C 178.386 0.300 1 666 57 57 LYS CA C 60.400 0.300 1 667 57 57 LYS CB C 32.535 0.300 1 668 57 57 LYS CG C 24.857 0.300 1 669 57 57 LYS CD C 29.485 0.300 1 670 57 57 LYS CE C 42.220 0.300 1 671 57 57 LYS N N 121.558 0.300 1 672 58 58 LYS H H 8.239 0.030 1 673 58 58 LYS HA H 4.163 0.030 1 674 58 58 LYS HB2 H 2.034 0.030 2 675 58 58 LYS HB3 H 1.978 0.030 2 676 58 58 LYS HG2 H 1.669 0.030 2 677 58 58 LYS HG3 H 1.515 0.030 2 678 58 58 LYS HD2 H 1.997 0.030 2 679 58 58 LYS HD3 H 1.736 0.030 2 680 58 58 LYS HE2 H 3.004 0.030 1 681 58 58 LYS HE3 H 3.004 0.030 1 682 58 58 LYS C C 180.016 0.300 1 683 58 58 LYS CA C 59.213 0.300 1 684 58 58 LYS CB C 31.961 0.300 1 685 58 58 LYS CG C 25.269 0.300 1 686 58 58 LYS CD C 28.707 0.300 1 687 58 58 LYS CE C 42.674 0.300 1 688 58 58 LYS N N 120.120 0.300 1 689 59 59 LEU H H 8.238 0.030 1 690 59 59 LEU HA H 4.089 0.030 1 691 59 59 LEU HB2 H 1.846 0.030 2 692 59 59 LEU HB3 H 1.365 0.030 2 693 59 59 LEU HG H 1.364 0.030 1 694 59 59 LEU HD1 H 0.774 0.030 1 695 59 59 LEU HD2 H 0.589 0.030 1 696 59 59 LEU C C 180.405 0.300 1 697 59 59 LEU CA C 57.717 0.300 1 698 59 59 LEU CB C 42.550 0.300 1 699 59 59 LEU CG C 26.336 0.300 1 700 59 59 LEU CD1 C 22.637 0.300 2 701 59 59 LEU CD2 C 25.287 0.300 2 702 59 59 LEU N N 119.794 0.300 1 703 60 60 ALA H H 8.281 0.030 1 704 60 60 ALA HA H 4.048 0.030 1 705 60 60 ALA HB H 1.330 0.030 1 706 60 60 ALA C C 179.506 0.300 1 707 60 60 ALA CA C 55.519 0.300 1 708 60 60 ALA CB C 17.346 0.300 1 709 60 60 ALA N N 122.332 0.300 1 710 61 61 GLU H H 8.326 0.030 1 711 61 61 GLU HA H 3.933 0.030 1 712 61 61 GLU HB2 H 2.292 0.030 2 713 61 61 GLU HB3 H 2.099 0.030 2 714 61 61 GLU HG2 H 2.594 0.030 2 715 61 61 GLU HG3 H 2.296 0.030 2 716 61 61 GLU C C 179.700 0.300 1 717 61 61 GLU CA C 59.581 0.300 1 718 61 61 GLU CB C 29.367 0.300 1 719 61 61 GLU CG C 36.805 0.300 1 720 61 61 GLU N N 118.868 0.300 1 721 62 62 GLU H H 8.238 0.030 1 722 62 62 GLU HA H 4.249 0.030 1 723 62 62 GLU HB2 H 2.223 0.030 2 724 62 62 GLU HB3 H 2.114 0.030 2 725 62 62 GLU HG2 H 2.394 0.030 1 726 62 62 GLU HG3 H 2.394 0.030 1 727 62 62 GLU C C 178.990 0.300 1 728 62 62 GLU CA C 59.036 0.300 1 729 62 62 GLU CB C 29.154 0.300 1 730 62 62 GLU CG C 35.816 0.300 1 731 62 62 GLU N N 120.696 0.300 1 732 63 63 GLN H H 8.079 0.030 1 733 63 63 GLN HA H 4.164 0.030 1 734 63 63 GLN HB2 H 2.315 0.030 2 735 63 63 GLN HB3 H 2.169 0.030 2 736 63 63 GLN HG2 H 2.612 0.030 2 737 63 63 GLN HG3 H 2.477 0.030 2 738 63 63 GLN HE21 H 7.691 0.030 2 739 63 63 GLN HE22 H 6.961 0.030 2 740 63 63 GLN C C 179.750 0.300 1 741 63 63 GLN CA C 59.221 0.300 1 742 63 63 GLN CB C 28.479 0.300 1 743 63 63 GLN CG C 34.846 0.300 1 744 63 63 GLN N N 119.311 0.300 1 745 63 63 GLN NE2 N 111.460 0.300 1 746 64 64 GLN H H 8.491 0.030 1 747 64 64 GLN HA H 4.014 0.030 1 748 64 64 GLN HB2 H 2.397 0.030 2 749 64 64 GLN HB3 H 2.238 0.030 2 750 64 64 GLN HG2 H 2.626 0.030 2 751 64 64 GLN HG3 H 2.445 0.030 2 752 64 64 GLN HE21 H 7.377 0.030 2 753 64 64 GLN HE22 H 6.492 0.030 2 754 64 64 GLN C C 178.399 0.300 1 755 64 64 GLN CA C 59.134 0.300 1 756 64 64 GLN CB C 28.074 0.300 1 757 64 64 GLN CG C 33.828 0.300 1 758 64 64 GLN N N 120.721 0.300 1 759 64 64 GLN NE2 N 110.364 0.300 1 760 65 65 ARG H H 8.112 0.030 1 761 65 65 ARG HA H 4.139 0.030 1 762 65 65 ARG HB2 H 2.068 0.030 2 763 65 65 ARG HB3 H 2.013 0.030 2 764 65 65 ARG HG2 H 1.872 0.030 2 765 65 65 ARG HG3 H 1.629 0.030 2 766 65 65 ARG HD2 H 3.286 0.030 1 767 65 65 ARG HD3 H 3.286 0.030 1 768 65 65 ARG HE H 7.671 0.030 1 769 65 65 ARG C C 179.335 0.300 1 770 65 65 ARG CA C 59.874 0.300 1 771 65 65 ARG CB C 30.479 0.300 1 772 65 65 ARG CG C 27.988 0.300 1 773 65 65 ARG CD C 43.479 0.300 1 774 65 65 ARG N N 121.033 0.300 1 775 66 66 GLN H H 8.155 0.030 1 776 66 66 GLN HA H 4.033 0.030 1 777 66 66 GLN HB2 H 2.088 0.030 1 778 66 66 GLN HB3 H 2.088 0.030 1 779 66 66 GLN HG2 H 2.515 0.030 2 780 66 66 GLN HG3 H 2.380 0.030 2 781 66 66 GLN HE21 H 7.616 0.030 2 782 66 66 GLN HE22 H 6.880 0.030 2 783 66 66 GLN C C 177.924 0.300 1 784 66 66 GLN CA C 58.323 0.300 1 785 66 66 GLN CB C 28.679 0.300 1 786 66 66 GLN CG C 33.891 0.300 1 787 66 66 GLN N N 118.071 0.300 1 788 66 66 GLN NE2 N 111.994 0.300 1 789 67 67 TYR H H 8.290 0.030 1 790 67 67 TYR HA H 4.368 0.030 1 791 67 67 TYR HB2 H 3.192 0.030 1 792 67 67 TYR HB3 H 3.192 0.030 1 793 67 67 TYR HD1 H 7.142 0.030 1 794 67 67 TYR HD2 H 7.142 0.030 1 795 67 67 TYR HE1 H 6.679 0.030 1 796 67 67 TYR HE2 H 6.679 0.030 1 797 67 67 TYR C C 176.244 0.300 1 798 67 67 TYR CA C 61.150 0.300 1 799 67 67 TYR CB C 38.265 0.300 1 800 67 67 TYR CD1 C 133.700 0.300 1 801 67 67 TYR CD2 C 133.700 0.300 1 802 67 67 TYR CE1 C 118.051 0.300 1 803 67 67 TYR CE2 C 118.051 0.300 1 804 67 67 TYR N N 120.716 0.300 1 805 68 68 LYS H H 7.747 0.030 1 806 68 68 LYS HA H 3.800 0.030 1 807 68 68 LYS HB2 H 2.013 0.030 1 808 68 68 LYS HB3 H 2.013 0.030 1 809 68 68 LYS HG2 H 1.694 0.030 2 810 68 68 LYS HG3 H 1.531 0.030 2 811 68 68 LYS HD2 H 1.807 0.030 1 812 68 68 LYS HD3 H 1.807 0.030 1 813 68 68 LYS HE2 H 3.088 0.030 1 814 68 68 LYS HE3 H 3.088 0.030 1 815 68 68 LYS C C 178.702 0.300 1 816 68 68 LYS CA C 59.528 0.300 1 817 68 68 LYS CB C 32.332 0.300 1 818 68 68 LYS CG C 25.477 0.300 1 819 68 68 LYS CD C 29.042 0.300 1 820 68 68 LYS CE C 42.243 0.300 1 821 68 68 LYS N N 118.717 0.300 1 822 69 69 VAL H H 7.399 0.030 1 823 69 69 VAL HA H 3.827 0.030 1 824 69 69 VAL HB H 2.133 0.030 1 825 69 69 VAL HG1 H 1.073 0.030 1 826 69 69 VAL HG2 H 0.931 0.030 1 827 69 69 VAL C C 178.703 0.300 1 828 69 69 VAL CA C 65.745 0.300 1 829 69 69 VAL CB C 31.980 0.300 1 830 69 69 VAL CG1 C 22.090 0.300 2 831 69 69 VAL CG2 C 20.910 0.300 2 832 69 69 VAL N N 118.609 0.300 1 833 70 70 HIS H H 8.200 0.030 1 834 70 70 HIS HA H 4.425 0.030 1 835 70 70 HIS HB2 H 3.207 0.030 2 836 70 70 HIS HB3 H 3.132 0.030 2 837 70 70 HIS HD2 H 7.070 0.030 1 838 70 70 HIS HE1 H 8.102 0.030 1 839 70 70 HIS C C 178.203 0.300 1 840 70 70 HIS CA C 58.460 0.300 1 841 70 70 HIS CB C 29.818 0.300 1 842 70 70 HIS CD2 C 119.165 0.300 1 843 70 70 HIS CE1 C 137.787 0.300 1 844 70 70 HIS N N 118.862 0.300 1 845 71 71 LEU H H 9.154 0.030 1 846 71 71 LEU HA H 4.037 0.030 1 847 71 71 LEU HB2 H 1.696 0.030 2 848 71 71 LEU HB3 H 1.018 0.030 2 849 71 71 LEU HG H 1.638 0.030 1 850 71 71 LEU HD1 H 0.978 0.030 1 851 71 71 LEU HD2 H 0.969 0.030 1 852 71 71 LEU C C 177.765 0.300 1 853 71 71 LEU CA C 58.252 0.300 1 854 71 71 LEU CB C 41.742 0.300 1 855 71 71 LEU CG C 26.824 0.300 1 856 71 71 LEU CD1 C 23.563 0.300 2 857 71 71 LEU CD2 C 25.218 0.300 2 858 71 71 LEU N N 123.591 0.300 1 859 72 72 ASP H H 7.952 0.030 1 860 72 72 ASP HA H 4.428 0.030 1 861 72 72 ASP HB2 H 2.827 0.030 2 862 72 72 ASP HB3 H 2.702 0.030 2 863 72 72 ASP C C 178.848 0.300 1 864 72 72 ASP CA C 57.542 0.300 1 865 72 72 ASP CB C 40.861 0.300 1 866 72 72 ASP N N 118.915 0.300 1 867 73 73 LEU H H 7.788 0.030 1 868 73 73 LEU HA H 4.063 0.030 1 869 73 73 LEU HB2 H 1.905 0.030 2 870 73 73 LEU HB3 H 1.619 0.030 2 871 73 73 LEU HG H 1.850 0.030 1 872 73 73 LEU HD1 H 0.926 0.030 1 873 73 73 LEU HD2 H 0.901 0.030 1 874 73 73 LEU C C 179.407 0.300 1 875 73 73 LEU CA C 57.805 0.300 1 876 73 73 LEU CB C 42.084 0.300 1 877 73 73 LEU CG C 26.802 0.300 1 878 73 73 LEU CD1 C 25.188 0.300 2 879 73 73 LEU CD2 C 23.264 0.300 2 880 73 73 LEU N N 118.590 0.300 1 881 74 74 TRP H H 8.352 0.030 1 882 74 74 TRP HA H 4.263 0.030 1 883 74 74 TRP HB2 H 3.541 0.030 2 884 74 74 TRP HB3 H 3.251 0.030 2 885 74 74 TRP HD1 H 7.171 0.030 1 886 74 74 TRP HE1 H 9.858 0.030 1 887 74 74 TRP HE3 H 7.432 0.030 1 888 74 74 TRP HZ2 H 7.259 0.030 1 889 74 74 TRP HH2 H 6.843 0.030 1 890 74 74 TRP C C 179.262 0.300 1 891 74 74 TRP CA C 61.269 0.300 1 892 74 74 TRP CB C 28.116 0.300 1 893 74 74 TRP CD1 C 126.662 0.300 1 894 74 74 TRP CE3 C 120.289 0.300 1 895 74 74 TRP CZ2 C 114.631 0.300 1 896 74 74 TRP CZ3 C 121.485 0.300 1 897 74 74 TRP CH2 C 124.367 0.300 1 898 74 74 TRP N N 122.251 0.300 1 899 74 74 TRP NE1 N 129.993 0.300 1 900 75 75 VAL H H 8.850 0.030 1 901 75 75 VAL HA H 2.973 0.030 1 902 75 75 VAL HB H 2.121 0.030 1 903 75 75 VAL HG1 H 1.022 0.030 1 904 75 75 VAL HG2 H 0.871 0.030 1 905 75 75 VAL C C 178.836 0.300 1 906 75 75 VAL CA C 66.138 0.300 1 907 75 75 VAL CB C 31.811 0.300 1 908 75 75 VAL CG1 C 23.295 0.300 2 909 75 75 VAL CG2 C 21.595 0.300 2 910 75 75 VAL N N 120.455 0.300 1 911 76 76 LYS H H 7.655 0.030 1 912 76 76 LYS HA H 3.953 0.030 1 913 76 76 LYS HB2 H 1.885 0.030 1 914 76 76 LYS HB3 H 1.885 0.030 1 915 76 76 LYS HG2 H 1.608 0.030 2 916 76 76 LYS HG3 H 1.452 0.030 2 917 76 76 LYS HD2 H 1.643 0.030 1 918 76 76 LYS HD3 H 1.643 0.030 1 919 76 76 LYS HE2 H 2.980 0.030 1 920 76 76 LYS HE3 H 2.980 0.030 1 921 76 76 LYS C C 177.121 0.300 1 922 76 76 LYS CA C 58.825 0.300 1 923 76 76 LYS CB C 32.662 0.300 1 924 76 76 LYS CG C 25.901 0.300 1 925 76 76 LYS CD C 29.421 0.300 1 926 76 76 LYS CE C 42.161 0.300 1 927 76 76 LYS N N 118.038 0.300 1 928 77 77 SER H H 7.552 0.030 1 929 77 77 SER HA H 4.352 0.030 1 930 77 77 SER HB2 H 3.945 0.030 1 931 77 77 SER HB3 H 3.945 0.030 1 932 77 77 SER C C 174.054 0.300 1 933 77 77 SER CA C 59.194 0.300 1 934 77 77 SER CB C 64.019 0.300 1 935 77 77 SER N N 114.250 0.300 1 936 78 78 LEU H H 6.960 0.030 1 937 78 78 LEU HA H 4.215 0.030 1 938 78 78 LEU HB2 H 1.587 0.030 2 939 78 78 LEU HB3 H 1.287 0.030 2 940 78 78 LEU HG H 1.275 0.030 1 941 78 78 LEU HD1 H 0.231 0.030 1 942 78 78 LEU HD2 H 0.087 0.030 1 943 78 78 LEU C C 177.632 0.300 1 944 78 78 LEU CA C 54.412 0.300 1 945 78 78 LEU CB C 43.132 0.300 1 946 78 78 LEU CG C 25.022 0.300 1 947 78 78 LEU CD1 C 20.925 0.300 2 948 78 78 LEU CD2 C 24.965 0.300 2 949 78 78 LEU N N 122.264 0.300 1 950 79 79 SER H H 9.092 0.030 1 951 79 79 SER HA H 4.670 0.030 1 952 79 79 SER HB2 H 4.288 0.030 2 953 79 79 SER HB3 H 4.091 0.030 2 954 79 79 SER C C 172.889 0.300 1 955 79 79 SER CA C 56.713 0.300 1 956 79 79 SER CB C 62.527 0.300 1 957 79 79 SER N N 118.620 0.300 1 958 80 80 PRO HA H 4.148 0.030 1 959 80 80 PRO HB2 H 2.403 0.030 2 960 80 80 PRO HB3 H 1.967 0.030 2 961 80 80 PRO HG2 H 2.249 0.030 2 962 80 80 PRO HG3 H 2.013 0.030 2 963 80 80 PRO HD2 H 3.940 0.030 2 964 80 80 PRO HD3 H 3.891 0.030 2 965 80 80 PRO C C 179.729 0.300 1 966 80 80 PRO CA C 66.199 0.300 1 967 80 80 PRO CB C 31.746 0.300 1 968 80 80 PRO CG C 28.153 0.300 1 969 80 80 PRO CD C 49.952 0.300 1 970 81 81 GLN H H 8.701 0.030 1 971 81 81 GLN HA H 4.171 0.030 1 972 81 81 GLN HB2 H 2.091 0.030 2 973 81 81 GLN HB3 H 2.042 0.030 2 974 81 81 GLN HG2 H 2.513 0.030 2 975 81 81 GLN HG3 H 2.444 0.030 2 976 81 81 GLN HE21 H 7.616 0.030 2 977 81 81 GLN HE22 H 6.913 0.030 2 978 81 81 GLN C C 178.484 0.300 1 979 81 81 GLN CA C 59.106 0.300 1 980 81 81 GLN CB C 28.048 0.300 1 981 81 81 GLN CG C 34.013 0.300 1 982 81 81 GLN N N 117.131 0.300 1 983 81 81 GLN NE2 N 112.323 0.300 1 984 82 82 ASP H H 7.856 0.030 1 985 82 82 ASP HA H 4.624 0.030 1 986 82 82 ASP HB2 H 2.792 0.030 2 987 82 82 ASP HB3 H 2.611 0.030 2 988 82 82 ASP C C 178.703 0.300 1 989 82 82 ASP CA C 56.768 0.300 1 990 82 82 ASP CB C 40.491 0.300 1 991 82 82 ASP N N 122.577 0.300 1 992 83 83 ARG H H 8.902 0.030 1 993 83 83 ARG HA H 3.967 0.030 1 994 83 83 ARG HB2 H 1.885 0.030 2 995 83 83 ARG HB3 H 1.811 0.030 2 996 83 83 ARG HG2 H 1.633 0.030 1 997 83 83 ARG HG3 H 1.633 0.030 1 998 83 83 ARG HD2 H 3.205 0.030 1 999 83 83 ARG HD3 H 3.205 0.030 1 1000 83 83 ARG C C 177.997 0.300 1 1001 83 83 ARG CA C 59.528 0.300 1 1002 83 83 ARG CB C 29.826 0.300 1 1003 83 83 ARG CG C 27.988 0.300 1 1004 83 83 ARG CD C 43.479 0.300 1 1005 83 83 ARG N N 122.970 0.300 1 1006 84 84 ALA H H 7.929 0.030 1 1007 84 84 ALA HA H 4.188 0.030 1 1008 84 84 ALA HB H 1.532 0.030 1 1009 84 84 ALA C C 180.162 0.300 1 1010 84 84 ALA CA C 54.959 0.300 1 1011 84 84 ALA CB C 17.914 0.300 1 1012 84 84 ALA N N 121.576 0.300 1 1013 85 85 ALA H H 7.770 0.030 1 1014 85 85 ALA HA H 4.269 0.030 1 1015 85 85 ALA HB H 1.568 0.030 1 1016 85 85 ALA C C 179.931 0.300 1 1017 85 85 ALA CA C 54.628 0.300 1 1018 85 85 ALA CB C 18.436 0.300 1 1019 85 85 ALA N N 120.750 0.300 1 1020 86 86 TYR H H 8.235 0.030 1 1021 86 86 TYR HA H 4.506 0.030 1 1022 86 86 TYR HB2 H 3.259 0.030 2 1023 86 86 TYR HB3 H 3.182 0.030 2 1024 86 86 TYR HD1 H 7.188 0.030 1 1025 86 86 TYR HD2 H 7.188 0.030 1 1026 86 86 TYR HE1 H 6.908 0.030 1 1027 86 86 TYR HE2 H 6.908 0.030 1 1028 86 86 TYR C C 176.609 0.300 1 1029 86 86 TYR CA C 60.736 0.300 1 1030 86 86 TYR CB C 38.325 0.300 1 1031 86 86 TYR CD1 C 132.954 0.300 1 1032 86 86 TYR CD2 C 132.954 0.300 1 1033 86 86 TYR CE1 C 118.315 0.300 1 1034 86 86 TYR CE2 C 118.315 0.300 1 1035 86 86 TYR N N 120.955 0.300 1 1036 87 87 LYS H H 8.173 0.030 1 1037 87 87 LYS HA H 3.901 0.030 1 1038 87 87 LYS HB2 H 1.918 0.030 1 1039 87 87 LYS HB3 H 1.918 0.030 1 1040 87 87 LYS HG2 H 1.665 0.030 2 1041 87 87 LYS HG3 H 1.500 0.030 2 1042 87 87 LYS HD2 H 2.182 0.030 2 1043 87 87 LYS HD3 H 1.728 0.030 2 1044 87 87 LYS HE2 H 3.145 0.030 1 1045 87 87 LYS HE3 H 3.145 0.030 1 1046 87 87 LYS C C 179.019 0.300 1 1047 87 87 LYS CA C 59.194 0.300 1 1048 87 87 LYS CB C 32.292 0.300 1 1049 87 87 LYS CG C 25.434 0.300 1 1050 87 87 LYS CD C 29.307 0.300 1 1051 87 87 LYS CE C 42.161 0.300 1 1052 87 87 LYS N N 119.304 0.300 1 1053 88 88 GLU H H 8.030 0.030 1 1054 88 88 GLU HA H 4.103 0.030 1 1055 88 88 GLU HB2 H 2.094 0.030 1 1056 88 88 GLU HB3 H 2.094 0.030 1 1057 88 88 GLU HG2 H 2.339 0.030 2 1058 88 88 GLU HG3 H 2.267 0.030 2 1059 88 88 GLU C C 177.815 0.300 1 1060 88 88 GLU CA C 58.714 0.300 1 1061 88 88 GLU CB C 29.737 0.300 1 1062 88 88 GLU CG C 36.176 0.300 1 1063 88 88 GLU N N 119.718 0.300 1 1064 89 89 TYR H H 8.075 0.030 1 1065 89 89 TYR HA H 4.360 0.030 1 1066 89 89 TYR HB2 H 3.213 0.030 1 1067 89 89 TYR HB3 H 3.213 0.030 1 1068 89 89 TYR HD1 H 7.110 0.030 1 1069 89 89 TYR HD2 H 7.110 0.030 1 1070 89 89 TYR HE1 H 6.860 0.030 1 1071 89 89 TYR HE2 H 6.860 0.030 1 1072 89 89 TYR C C 177.792 0.300 1 1073 89 89 TYR CA C 60.665 0.300 1 1074 89 89 TYR CB C 38.313 0.300 1 1075 89 89 TYR CD1 C 133.384 0.300 1 1076 89 89 TYR CD2 C 133.384 0.300 1 1077 89 89 TYR CE1 C 118.226 0.300 1 1078 89 89 TYR CE2 C 118.226 0.300 1 1079 89 89 TYR N N 121.227 0.300 1 1080 90 90 ILE H H 8.097 0.030 1 1081 90 90 ILE HA H 3.822 0.030 1 1082 90 90 ILE HB H 1.860 0.030 1 1083 90 90 ILE HG12 H 1.295 0.030 2 1084 90 90 ILE HG13 H 1.225 0.030 2 1085 90 90 ILE HG2 H 0.834 0.030 1 1086 90 90 ILE HD1 H 0.805 0.030 1 1087 90 90 ILE C C 177.759 0.300 1 1088 90 90 ILE CA C 62.227 0.300 1 1089 90 90 ILE CB C 37.717 0.300 1 1090 90 90 ILE CG1 C 27.080 0.300 1 1091 90 90 ILE CG2 C 17.897 0.300 1 1092 90 90 ILE CD1 C 12.498 0.300 1 1093 90 90 ILE N N 117.582 0.300 1 1094 91 91 SER H H 7.872 0.030 1 1095 91 91 SER HA H 4.297 0.030 1 1096 91 91 SER HB2 H 3.951 0.030 1 1097 91 91 SER HB3 H 3.951 0.030 1 1098 91 91 SER C C 175.320 0.300 1 1099 91 91 SER CA C 59.986 0.300 1 1100 91 91 SER CB C 63.571 0.300 1 1101 91 91 SER N N 116.695 0.300 1 1102 92 92 ASN H H 8.065 0.030 1 1103 92 92 ASN HA H 4.643 0.030 1 1104 92 92 ASN HB2 H 2.835 0.030 1 1105 92 92 ASN HB3 H 2.835 0.030 1 1106 92 92 ASN HD21 H 7.623 0.030 2 1107 92 92 ASN HD22 H 6.967 0.030 2 1108 92 92 ASN C C 175.919 0.300 1 1109 92 92 ASN CA C 54.180 0.300 1 1110 92 92 ASN CB C 38.697 0.300 1 1111 92 92 ASN N N 119.630 0.300 1 1112 92 92 ASN ND2 N 113.062 0.300 1 1113 93 93 LYS H H 8.016 0.030 1 1114 93 93 LYS HA H 4.192 0.030 1 1115 93 93 LYS HB2 H 1.806 0.030 2 1116 93 93 LYS HB3 H 1.713 0.030 2 1117 93 93 LYS HG2 H 1.368 0.030 1 1118 93 93 LYS HG3 H 1.368 0.030 1 1119 93 93 LYS HD2 H 1.607 0.030 1 1120 93 93 LYS HD3 H 1.607 0.030 1 1121 93 93 LYS HE2 H 2.972 0.030 2 1122 93 93 LYS C C 177.169 0.300 1 1123 93 93 LYS CA C 56.992 0.300 1 1124 93 93 LYS CB C 32.497 0.300 1 1125 93 93 LYS CG C 24.610 0.300 1 1126 93 93 LYS CD C 29.029 0.300 1 1127 93 93 LYS CE C 42.243 0.300 1 1128 93 93 LYS N N 121.047 0.300 1 1129 94 94 ARG H H 8.090 0.030 1 1130 94 94 ARG HA H 4.283 0.030 1 1131 94 94 ARG HB2 H 1.894 0.030 2 1132 94 94 ARG HB3 H 1.792 0.030 2 1133 94 94 ARG HG2 H 1.689 0.030 2 1134 94 94 ARG HG3 H 1.632 0.030 2 1135 94 94 ARG HD2 H 3.219 0.030 2 1136 94 94 ARG HD3 H 3.180 0.030 2 1137 94 94 ARG C C 176.646 0.300 1 1138 94 94 ARG CA C 56.574 0.300 1 1139 94 94 ARG CB C 30.644 0.300 1 1140 94 94 ARG CG C 27.247 0.300 1 1141 94 94 ARG CD C 43.479 0.300 1 1142 94 94 ARG N N 120.824 0.300 1 1143 95 95 LYS H H 8.186 0.030 1 1144 95 95 LYS HA H 4.352 0.030 1 1145 95 95 LYS HB2 H 1.893 0.030 2 1146 95 95 LYS HB3 H 1.812 0.030 2 1147 95 95 LYS HG2 H 1.511 0.030 2 1148 95 95 LYS HG3 H 1.450 0.030 2 1149 95 95 LYS HD2 H 1.706 0.030 1 1150 95 95 LYS HD3 H 1.706 0.030 1 1151 95 95 LYS C C 176.682 0.300 1 1152 95 95 LYS CA C 56.715 0.300 1 1153 95 95 LYS CB C 32.976 0.300 1 1154 95 95 LYS CG C 24.902 0.300 1 1155 95 95 LYS CD C 29.142 0.300 1 1156 95 95 LYS CE C 42.243 0.300 1 1157 95 95 LYS N N 122.037 0.300 1 1158 96 96 SER H H 8.230 0.030 1 1159 96 96 SER HA H 4.518 0.030 1 1160 96 96 SER HB2 H 3.965 0.030 2 1161 96 96 SER HB3 H 3.894 0.030 2 1162 96 96 SER C C 174.492 0.300 1 1163 96 96 SER CA C 58.385 0.300 1 1164 96 96 SER CB C 64.096 0.300 1 1165 96 96 SER N N 116.461 0.300 1 1166 97 97 GLY H H 8.200 0.030 1 1167 97 97 GLY HA2 H 4.149 0.030 1 1168 97 97 GLY HA3 H 4.149 0.030 1 1169 97 97 GLY C C 171.844 0.300 1 1170 97 97 GLY CA C 44.739 0.300 1 1171 97 97 GLY N N 110.559 0.300 1 1172 98 98 PRO HA H 4.500 0.030 1 1173 98 98 PRO HB2 H 2.321 0.030 2 1174 98 98 PRO HB3 H 2.017 0.030 2 1175 98 98 PRO HG2 H 2.039 0.030 1 1176 98 98 PRO HG3 H 2.039 0.030 1 1177 98 98 PRO HD2 H 3.667 0.030 2 1178 98 98 PRO HD3 H 3.636 0.030 2 1179 98 98 PRO C C 177.439 0.300 1 1180 98 98 PRO CA C 63.345 0.300 1 1181 98 98 PRO CB C 32.226 0.300 1 1182 98 98 PRO CG C 27.204 0.300 1 1183 98 98 PRO CD C 49.823 0.300 1 1184 99 99 SER H H 8.533 0.030 1 1185 99 99 SER HA H 4.540 0.030 1 1186 99 99 SER HB2 H 3.926 0.030 2 1187 99 99 SER HB3 H 3.872 0.030 2 1188 99 99 SER C C 174.566 0.300 1 1189 99 99 SER CA C 58.438 0.300 1 1190 99 99 SER CB C 63.808 0.300 1 1191 99 99 SER N N 116.309 0.300 1 1192 100 100 SER H H 8.441 0.030 1 1193 100 100 SER HA H 4.569 0.030 1 1194 100 100 SER C C 173.959 0.300 1 1195 100 100 SER CA C 58.370 0.300 1 1196 100 100 SER CB C 63.831 0.300 1 1197 100 100 SER N N 117.897 0.300 1 1198 101 101 GLY H H 8.048 0.030 1 1199 101 101 GLY HA2 H 3.763 0.030 1 1200 101 101 GLY HA3 H 3.763 0.030 1 1201 101 101 GLY C C 178.990 0.300 1 1202 101 101 GLY CA C 46.165 0.300 1 1203 101 101 GLY N N 116.807 0.300 1 stop_ save_