data_11147 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the tandem HMG box domain from Human High mobility group protein B1 ; _BMRB_accession_number 11147 _BMRB_flat_file_name bmr11147.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1098 "13C chemical shifts" 769 "15N chemical shifts" 168 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the tandem HMG box domain from Human High mobility group protein B1 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'High mobility group protein B1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HMG box 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 'HMG box domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 173 _Mol_residue_sequence ; GSSGSSGMGKGDPKKPRGKM SSYAFFVQTCREEHKKKHPD ASVNFSEFSKKCSERWKTMS AKEKGKFEDMAKADKARYER EMKTYIPPKGETKKKFKDPN APKRPPSAFFLFCSEYRPKI KGEHPGLSIGDVAKKLGEMW NNTAADDKQPYEKKAAKLKE KYEKDIAAYRAKG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 GLY 10 LYS 11 GLY 12 ASP 13 PRO 14 LYS 15 LYS 16 PRO 17 ARG 18 GLY 19 LYS 20 MET 21 SER 22 SER 23 TYR 24 ALA 25 PHE 26 PHE 27 VAL 28 GLN 29 THR 30 CYS 31 ARG 32 GLU 33 GLU 34 HIS 35 LYS 36 LYS 37 LYS 38 HIS 39 PRO 40 ASP 41 ALA 42 SER 43 VAL 44 ASN 45 PHE 46 SER 47 GLU 48 PHE 49 SER 50 LYS 51 LYS 52 CYS 53 SER 54 GLU 55 ARG 56 TRP 57 LYS 58 THR 59 MET 60 SER 61 ALA 62 LYS 63 GLU 64 LYS 65 GLY 66 LYS 67 PHE 68 GLU 69 ASP 70 MET 71 ALA 72 LYS 73 ALA 74 ASP 75 LYS 76 ALA 77 ARG 78 TYR 79 GLU 80 ARG 81 GLU 82 MET 83 LYS 84 THR 85 TYR 86 ILE 87 PRO 88 PRO 89 LYS 90 GLY 91 GLU 92 THR 93 LYS 94 LYS 95 LYS 96 PHE 97 LYS 98 ASP 99 PRO 100 ASN 101 ALA 102 PRO 103 LYS 104 ARG 105 PRO 106 PRO 107 SER 108 ALA 109 PHE 110 PHE 111 LEU 112 PHE 113 CYS 114 SER 115 GLU 116 TYR 117 ARG 118 PRO 119 LYS 120 ILE 121 LYS 122 GLY 123 GLU 124 HIS 125 PRO 126 GLY 127 LEU 128 SER 129 ILE 130 GLY 131 ASP 132 VAL 133 ALA 134 LYS 135 LYS 136 LEU 137 GLY 138 GLU 139 MET 140 TRP 141 ASN 142 ASN 143 THR 144 ALA 145 ALA 146 ASP 147 ASP 148 LYS 149 GLN 150 PRO 151 TYR 152 GLU 153 LYS 154 LYS 155 ALA 156 ALA 157 LYS 158 LEU 159 LYS 160 GLU 161 LYS 162 TYR 163 GLU 164 LYS 165 ASP 166 ILE 167 ALA 168 ALA 169 TYR 170 ARG 171 ALA 172 LYS 173 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 BMRB 15148 HMGB1_ABbtail 95.38 187 100.00 100.00 2.91e-114 BMRB 15149 HMGB1_Full_Length 95.38 214 100.00 100.00 7.50e-115 BMRB 15502 HMGB1 95.38 214 100.00 100.00 7.50e-115 PDB 2YRQ "Solution Structure Of The Tandem Hmg Box Domain From Human High Mobility Group Protein B1" 100.00 173 100.00 100.00 7.35e-120 DBJ BAA09924 "HMG-1 [Homo sapiens]" 95.95 215 98.80 98.80 7.86e-114 DBJ BAC29902 "unnamed protein product [Mus musculus]" 95.95 215 100.00 100.00 7.42e-116 DBJ BAC34367 "unnamed protein product [Mus musculus]" 95.95 178 100.00 100.00 5.87e-115 DBJ BAC34773 "unnamed protein product [Mus musculus]" 95.95 215 99.40 99.40 1.70e-114 DBJ BAC38678 "unnamed protein product [Mus musculus]" 95.95 181 100.00 100.00 4.64e-115 EMBL CAA31110 "unnamed protein product [Homo sapiens]" 95.95 215 100.00 100.00 7.42e-116 EMBL CAA31284 "unnamed protein product [Bos taurus]" 95.95 215 100.00 100.00 7.58e-116 EMBL CAA56631 "high mobility group protein [Mus musculus]" 95.95 215 100.00 100.00 7.58e-116 EMBL CAA68441 "high mobility group protein [Cricetulus griseus]" 75.72 180 100.00 100.00 4.91e-88 EMBL CAA68526 "unnamed protein product [Rattus norvegicus]" 95.95 215 100.00 100.00 7.42e-116 GB AAA20508 "HMG-1 [Mus musculus]" 95.95 215 100.00 100.00 7.42e-116 GB AAA31050 "non-histone protein HMG1 [Sus scrofa]" 95.95 215 99.40 99.40 6.31e-115 GB AAA40729 "Amphoterin [Rattus norvegicus]" 95.95 215 100.00 100.00 7.42e-116 GB AAA57042 "high mobility group 1 protein [Mus musculus]" 95.95 215 100.00 100.00 8.83e-116 GB AAA64970 "HMG-1 [Homo sapiens]" 95.95 216 98.80 98.80 1.07e-113 PIR S29857 "nonhistone chromosomal protein HMG-1 - human" 95.95 216 98.80 98.80 1.07e-113 REF NP_001002937 "high mobility group protein B1 [Canis lupus familiaris]" 95.95 215 100.00 100.00 7.42e-116 REF NP_001004034 "high mobility group protein B1 [Sus scrofa]" 95.95 215 99.40 99.40 6.31e-115 REF NP_001075304 "high mobility group protein B1 [Equus caballus]" 95.95 215 100.00 100.00 7.42e-116 REF NP_001102843 "high mobility group box 1 like [Rattus norvegicus]" 95.95 214 99.40 99.40 9.23e-115 REF NP_001162380 "high mobility group protein B1 [Papio anubis]" 95.95 215 100.00 100.00 7.42e-116 SP A9RA84 "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" 95.95 215 100.00 100.00 7.42e-116 SP B0CM99 "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" 95.95 215 100.00 100.00 7.42e-116 SP B1MTB0 "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" 95.95 215 100.00 100.00 7.42e-116 SP P07156 "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" 75.72 180 100.00 100.00 4.91e-88 SP P09429 "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" 95.95 215 100.00 100.00 7.42e-116 TPG DAA21468 "TPA: high-mobility group box 1-like [Bos taurus]" 95.95 215 98.19 98.19 4.04e-114 TPG DAA23902 "TPA: high mobility group protein B1 [Bos taurus]" 95.95 215 100.00 100.00 7.58e-116 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'cell free synthesis' . Escherichia coli . P061030-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.09mM HMG box domain {U-15N,13C;} 20mM d-Tris-HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.09 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_topspin _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060524 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_kujira _Saveframe_category software _Name Kujira _Version 0.9823 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $topspin $NMRPipe $NMRview $kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'HMG box 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 4 4 GLY C C 176.250 0.300 1 2 4 4 GLY CA C 53.511 0.300 1 3 6 6 SER HA H 4.387 0.030 1 4 6 6 SER HB2 H 3.841 0.030 2 5 6 6 SER C C 172.751 0.300 1 6 6 6 SER CA C 56.391 0.300 1 7 6 6 SER CB C 61.259 0.300 1 8 7 7 GLY H H 8.351 0.030 1 9 7 7 GLY HA2 H 3.902 0.030 1 10 7 7 GLY HA3 H 3.902 0.030 1 11 7 7 GLY C C 171.981 0.300 1 12 7 7 GLY CA C 43.133 0.300 1 13 7 7 GLY N N 110.280 0.300 1 14 8 8 MET H H 8.158 0.030 1 15 8 8 MET HA H 4.402 0.030 1 16 8 8 MET HB2 H 2.040 0.030 1 17 8 8 MET HB3 H 2.040 0.030 1 18 8 8 MET HE H 2.005 0.030 1 19 8 8 MET HG2 H 2.528 0.030 2 20 8 8 MET HG3 H 2.440 0.030 2 21 8 8 MET C C 174.577 0.300 1 22 8 8 MET CA C 53.277 0.300 1 23 8 8 MET CB C 30.451 0.300 1 24 8 8 MET CE C 14.601 0.300 1 25 8 8 MET CG C 29.693 0.300 1 26 8 8 MET N N 119.272 0.300 1 27 9 9 GLY H H 8.448 0.030 1 28 9 9 GLY HA2 H 3.884 0.030 1 29 9 9 GLY HA3 H 3.884 0.030 1 30 9 9 GLY C C 171.909 0.300 1 31 9 9 GLY CA C 43.070 0.300 1 32 9 9 GLY N N 109.899 0.300 1 33 10 10 LYS H H 8.150 0.030 1 34 10 10 LYS HA H 4.243 0.030 1 35 10 10 LYS HB2 H 1.675 0.030 1 36 10 10 LYS HB3 H 1.675 0.030 1 37 10 10 LYS HD2 H 1.559 0.030 1 38 10 10 LYS HD3 H 1.559 0.030 1 39 10 10 LYS HE2 H 2.879 0.030 1 40 10 10 LYS HE3 H 2.879 0.030 1 41 10 10 LYS HG2 H 1.358 0.030 1 42 10 10 LYS HG3 H 1.358 0.030 1 43 10 10 LYS C C 174.740 0.300 1 44 10 10 LYS CA C 54.000 0.300 1 45 10 10 LYS CB C 30.604 0.300 1 46 10 10 LYS CD C 26.632 0.300 1 47 10 10 LYS CE C 39.831 0.300 1 48 10 10 LYS CG C 22.232 0.300 1 49 10 10 LYS N N 120.448 0.300 1 50 11 11 GLY H H 8.332 0.030 1 51 11 11 GLY HA2 H 3.854 0.030 1 52 11 11 GLY HA3 H 3.854 0.030 1 53 11 11 GLY C C 171.028 0.300 1 54 11 11 GLY CA C 42.490 0.300 1 55 11 11 GLY N N 109.489 0.300 1 56 12 12 ASP H H 8.212 0.030 1 57 12 12 ASP HA H 4.802 0.030 1 58 12 12 ASP HB2 H 2.488 0.030 2 59 12 12 ASP HB3 H 2.696 0.030 2 60 12 12 ASP C C 172.799 0.300 1 61 12 12 ASP CA C 49.774 0.300 1 62 12 12 ASP CB C 38.880 0.300 1 63 12 12 ASP N N 121.222 0.300 1 64 13 13 PRO HA H 4.367 0.030 1 65 13 13 PRO HB2 H 2.261 0.030 2 66 13 13 PRO HB3 H 1.926 0.030 2 67 13 13 PRO HD2 H 3.782 0.030 2 68 13 13 PRO HD3 H 3.847 0.030 2 69 13 13 PRO HG2 H 1.941 0.030 1 70 13 13 PRO HG3 H 1.941 0.030 1 71 13 13 PRO C C 174.748 0.300 1 72 13 13 PRO CA C 61.215 0.300 1 73 13 13 PRO CB C 29.885 0.300 1 74 13 13 PRO CD C 48.560 0.300 1 75 13 13 PRO CG C 24.888 0.300 1 76 14 14 LYS H H 8.256 0.030 1 77 14 14 LYS HA H 4.180 0.030 1 78 14 14 LYS HB2 H 1.780 0.030 1 79 14 14 LYS HB3 H 1.780 0.030 1 80 14 14 LYS HD2 H 1.575 0.030 1 81 14 14 LYS HD3 H 1.575 0.030 1 82 14 14 LYS HE2 H 2.879 0.030 1 83 14 14 LYS HE3 H 2.879 0.030 1 84 14 14 LYS HG2 H 1.317 0.030 2 85 14 14 LYS HG3 H 1.374 0.030 2 86 14 14 LYS C C 173.601 0.300 1 87 14 14 LYS CA C 53.465 0.300 1 88 14 14 LYS CB C 30.215 0.300 1 89 14 14 LYS CD C 26.466 0.300 1 90 14 14 LYS CE C 39.748 0.300 1 91 14 14 LYS CG C 22.481 0.300 1 92 14 14 LYS N N 119.633 0.300 1 93 15 15 LYS H H 7.782 0.030 1 94 15 15 LYS HA H 3.773 0.030 1 95 15 15 LYS HB2 H 1.497 0.030 2 96 15 15 LYS HB3 H 1.582 0.030 2 97 15 15 LYS HD2 H 1.559 0.030 1 98 15 15 LYS HD3 H 1.559 0.030 1 99 15 15 LYS HE2 H 2.912 0.030 1 100 15 15 LYS HE3 H 2.912 0.030 1 101 15 15 LYS HG2 H 0.989 0.030 2 102 15 15 LYS HG3 H 1.243 0.030 2 103 15 15 LYS C C 172.009 0.300 1 104 15 15 LYS CA C 52.207 0.300 1 105 15 15 LYS CB C 30.558 0.300 1 106 15 15 LYS CD C 27.130 0.300 1 107 15 15 LYS CE C 39.831 0.300 1 108 15 15 LYS CG C 21.989 0.300 1 109 15 15 LYS N N 123.200 0.300 1 110 16 16 PRO HA H 4.150 0.030 1 111 16 16 PRO HB2 H 2.302 0.030 2 112 16 16 PRO HB3 H 1.434 0.030 2 113 16 16 PRO HD2 H 2.863 0.030 2 114 16 16 PRO HD3 H 3.265 0.030 2 115 16 16 PRO HG2 H 1.462 0.030 2 116 16 16 PRO HG3 H 1.560 0.030 2 117 16 16 PRO C C 173.820 0.300 1 118 16 16 PRO CA C 60.542 0.300 1 119 16 16 PRO CB C 29.431 0.300 1 120 16 16 PRO CD C 48.518 0.300 1 121 16 16 PRO CG C 25.663 0.300 1 122 17 17 ARG H H 8.845 0.030 1 123 17 17 ARG HA H 4.072 0.030 1 124 17 17 ARG HB2 H 1.712 0.030 1 125 17 17 ARG HB3 H 1.712 0.030 1 126 17 17 ARG HD2 H 3.112 0.030 2 127 17 17 ARG HD3 H 3.173 0.030 2 128 17 17 ARG HE H 7.177 0.030 1 129 17 17 ARG HG2 H 1.603 0.030 2 130 17 17 ARG HG3 H 1.819 0.030 2 131 17 17 ARG C C 175.440 0.300 1 132 17 17 ARG CA C 54.263 0.300 1 133 17 17 ARG CB C 27.907 0.300 1 134 17 17 ARG CD C 40.876 0.300 1 135 17 17 ARG CG C 24.473 0.300 1 136 17 17 ARG N N 124.046 0.300 1 137 17 17 ARG NE N 84.579 0.300 1 138 18 18 GLY H H 8.509 0.030 1 139 18 18 GLY HA2 H 3.603 0.030 2 140 18 18 GLY HA3 H 3.806 0.030 2 141 18 18 GLY C C 171.214 0.300 1 142 18 18 GLY CA C 42.948 0.300 1 143 18 18 GLY N N 110.569 0.300 1 144 19 19 LYS H H 7.583 0.030 1 145 19 19 LYS HA H 3.993 0.030 1 146 19 19 LYS HB2 H 1.449 0.030 1 147 19 19 LYS HB3 H 1.449 0.030 1 148 19 19 LYS HD2 H 1.491 0.030 2 149 19 19 LYS HD3 H 1.420 0.030 2 150 19 19 LYS HE2 H 2.476 0.030 2 151 19 19 LYS HE3 H 2.714 0.030 2 152 19 19 LYS HG2 H 0.766 0.030 2 153 19 19 LYS HG3 H 1.098 0.030 2 154 19 19 LYS C C 174.617 0.300 1 155 19 19 LYS CA C 54.144 0.300 1 156 19 19 LYS CB C 29.776 0.300 1 157 19 19 LYS CD C 26.785 0.300 1 158 19 19 LYS CE C 39.250 0.300 1 159 19 19 LYS CG C 22.108 0.300 1 160 19 19 LYS N N 119.896 0.300 1 161 20 20 MET H H 8.928 0.030 1 162 20 20 MET HA H 4.321 0.030 1 163 20 20 MET HB2 H 1.494 0.030 2 164 20 20 MET HB3 H 1.344 0.030 2 165 20 20 MET HE H 1.177 0.030 1 166 20 20 MET HG2 H 2.106 0.030 2 167 20 20 MET HG3 H 2.024 0.030 2 168 20 20 MET C C 173.133 0.300 1 169 20 20 MET CA C 52.562 0.300 1 170 20 20 MET CB C 32.738 0.300 1 171 20 20 MET CE C 13.129 0.300 1 172 20 20 MET CG C 29.611 0.300 1 173 20 20 MET N N 124.464 0.300 1 174 21 21 SER H H 8.093 0.030 1 175 21 21 SER HA H 4.525 0.030 1 176 21 21 SER HB2 H 3.997 0.030 2 177 21 21 SER HB3 H 4.430 0.030 2 178 21 21 SER C C 172.249 0.300 1 179 21 21 SER CA C 54.740 0.300 1 180 21 21 SER CB C 63.368 0.300 1 181 21 21 SER N N 118.714 0.300 1 182 22 22 SER H H 9.217 0.030 1 183 22 22 SER HA H 4.270 0.030 1 184 22 22 SER HB2 H 4.056 0.030 2 185 22 22 SER HB3 H 4.014 0.030 2 186 22 22 SER C C 173.855 0.300 1 187 22 22 SER CA C 59.008 0.300 1 188 22 22 SER CB C 59.931 0.300 1 189 22 22 SER N N 116.095 0.300 1 190 23 23 TYR H H 7.872 0.030 1 191 23 23 TYR HA H 2.749 0.030 1 192 23 23 TYR HB2 H 2.295 0.030 1 193 23 23 TYR HB3 H 2.295 0.030 1 194 23 23 TYR HD1 H 5.768 0.030 1 195 23 23 TYR HD2 H 5.768 0.030 1 196 23 23 TYR HE1 H 6.304 0.030 1 197 23 23 TYR HE2 H 6.304 0.030 1 198 23 23 TYR C C 173.743 0.300 1 199 23 23 TYR CA C 58.203 0.300 1 200 23 23 TYR CB C 35.604 0.300 1 201 23 23 TYR CD1 C 130.177 0.300 1 202 23 23 TYR CD2 C 130.177 0.300 1 203 23 23 TYR CE1 C 115.170 0.300 1 204 23 23 TYR CE2 C 115.170 0.300 1 205 23 23 TYR N N 121.620 0.300 1 206 24 24 ALA H H 7.801 0.030 1 207 24 24 ALA HA H 3.631 0.030 1 208 24 24 ALA HB H 1.298 0.030 1 209 24 24 ALA C C 179.668 0.300 1 210 24 24 ALA CA C 52.894 0.300 1 211 24 24 ALA CB C 15.737 0.300 1 212 24 24 ALA N N 121.525 0.300 1 213 25 25 PHE H H 8.220 0.030 1 214 25 25 PHE HA H 4.091 0.030 1 215 25 25 PHE HB2 H 3.565 0.030 2 216 25 25 PHE HB3 H 3.313 0.030 2 217 25 25 PHE HD1 H 7.229 0.030 1 218 25 25 PHE HD2 H 7.229 0.030 1 219 25 25 PHE HE1 H 7.025 0.030 1 220 25 25 PHE HE2 H 7.025 0.030 1 221 25 25 PHE C C 176.579 0.300 1 222 25 25 PHE CA C 61.294 0.300 1 223 25 25 PHE CB C 37.455 0.300 1 224 25 25 PHE CD1 C 129.726 0.300 1 225 25 25 PHE CD2 C 129.726 0.300 1 226 25 25 PHE CE1 C 127.022 0.300 1 227 25 25 PHE CE2 C 127.022 0.300 1 228 25 25 PHE N N 117.856 0.300 1 229 26 26 PHE H H 8.008 0.030 1 230 26 26 PHE HA H 3.634 0.030 1 231 26 26 PHE HB2 H 2.474 0.030 2 232 26 26 PHE HB3 H 2.016 0.030 2 233 26 26 PHE HD1 H 6.320 0.030 1 234 26 26 PHE HD2 H 6.320 0.030 1 235 26 26 PHE HE1 H 7.304 0.030 1 236 26 26 PHE HE2 H 7.304 0.030 1 237 26 26 PHE HZ H 6.999 0.030 1 238 26 26 PHE C C 174.945 0.300 1 239 26 26 PHE CA C 58.581 0.300 1 240 26 26 PHE CB C 36.103 0.300 1 241 26 26 PHE CD1 C 129.854 0.300 1 242 26 26 PHE CD2 C 129.854 0.300 1 243 26 26 PHE CE1 C 128.878 0.300 1 244 26 26 PHE CE2 C 128.878 0.300 1 245 26 26 PHE CZ C 128.163 0.300 1 246 26 26 PHE N N 124.897 0.300 1 247 27 27 VAL H H 8.377 0.030 1 248 27 27 VAL HA H 2.874 0.030 1 249 27 27 VAL HB H 1.604 0.030 1 250 27 27 VAL HG1 H 0.768 0.030 1 251 27 27 VAL HG2 H 0.190 0.030 1 252 27 27 VAL C C 175.629 0.300 1 253 27 27 VAL CA C 64.874 0.300 1 254 27 27 VAL CB C 29.043 0.300 1 255 27 27 VAL CG1 C 18.897 0.300 2 256 27 27 VAL CG2 C 20.591 0.300 2 257 27 27 VAL N N 122.276 0.300 1 258 28 28 GLN H H 7.746 0.030 1 259 28 28 GLN HA H 3.829 0.030 1 260 28 28 GLN HB2 H 1.999 0.030 2 261 28 28 GLN HB3 H 2.121 0.030 2 262 28 28 GLN HE21 H 6.714 0.030 2 263 28 28 GLN HE22 H 7.732 0.030 2 264 28 28 GLN HG2 H 2.246 0.030 1 265 28 28 GLN HG3 H 2.246 0.030 1 266 28 28 GLN C C 176.054 0.300 1 267 28 28 GLN CA C 57.196 0.300 1 268 28 28 GLN CB C 26.619 0.300 1 269 28 28 GLN CG C 31.530 0.300 1 270 28 28 GLN N N 118.007 0.300 1 271 28 28 GLN NE2 N 111.430 0.300 1 272 29 29 THR H H 8.098 0.030 1 273 29 29 THR HA H 4.048 0.030 1 274 29 29 THR HB H 4.435 0.030 1 275 29 29 THR HG2 H 1.463 0.030 1 276 29 29 THR C C 174.642 0.300 1 277 29 29 THR CA C 64.865 0.300 1 278 29 29 THR CB C 66.662 0.300 1 279 29 29 THR CG2 C 19.106 0.300 1 280 29 29 THR N N 116.231 0.300 1 281 30 30 CYS H H 8.277 0.030 1 282 30 30 CYS HA H 4.044 0.030 1 283 30 30 CYS HB2 H 2.847 0.030 2 284 30 30 CYS HB3 H 2.421 0.030 2 285 30 30 CYS C C 176.144 0.300 1 286 30 30 CYS CA C 61.404 0.300 1 287 30 30 CYS CB C 24.677 0.300 1 288 30 30 CYS N N 120.507 0.300 1 289 31 31 ARG H H 8.795 0.030 1 290 31 31 ARG HA H 3.647 0.030 1 291 31 31 ARG HB2 H 1.782 0.030 2 292 31 31 ARG HB3 H 1.844 0.030 2 293 31 31 ARG HD2 H 2.832 0.030 1 294 31 31 ARG HD3 H 2.832 0.030 1 295 31 31 ARG HG2 H 1.293 0.030 2 296 31 31 ARG HG3 H 1.426 0.030 2 297 31 31 ARG C C 176.185 0.300 1 298 31 31 ARG CA C 57.469 0.300 1 299 31 31 ARG CB C 27.473 0.300 1 300 31 31 ARG CD C 40.870 0.300 1 301 31 31 ARG CG C 25.403 0.300 1 302 31 31 ARG N N 122.654 0.300 1 303 32 32 GLU H H 8.088 0.030 1 304 32 32 GLU HA H 3.945 0.030 1 305 32 32 GLU HB2 H 2.041 0.030 2 306 32 32 GLU HB3 H 2.168 0.030 2 307 32 32 GLU HG2 H 2.263 0.030 2 308 32 32 GLU HG3 H 2.406 0.030 2 309 32 32 GLU C C 177.113 0.300 1 310 32 32 GLU CA C 56.977 0.300 1 311 32 32 GLU CB C 27.009 0.300 1 312 32 32 GLU CG C 33.937 0.300 1 313 32 32 GLU N N 120.105 0.300 1 314 33 33 GLU H H 8.212 0.030 1 315 33 33 GLU HA H 3.978 0.030 1 316 33 33 GLU HB2 H 2.133 0.030 2 317 33 33 GLU HB3 H 2.039 0.030 2 318 33 33 GLU HG2 H 2.407 0.030 2 319 33 33 GLU HG3 H 2.251 0.030 2 320 33 33 GLU C C 176.427 0.300 1 321 33 33 GLU CA C 56.938 0.300 1 322 33 33 GLU CB C 27.204 0.300 1 323 33 33 GLU CG C 33.983 0.300 1 324 33 33 GLU N N 119.542 0.300 1 325 34 34 HIS H H 8.102 0.030 1 326 34 34 HIS HA H 4.170 0.030 1 327 34 34 HIS HB2 H 3.057 0.030 2 328 34 34 HIS HB3 H 3.202 0.030 2 329 34 34 HIS HD2 H 6.853 0.030 1 330 34 34 HIS HE1 H 7.520 0.030 1 331 34 34 HIS CA C 58.365 0.300 1 332 34 34 HIS CB C 28.369 0.300 1 333 34 34 HIS CD2 C 117.209 0.300 1 334 34 34 HIS CE1 C 135.759 0.300 1 335 34 34 HIS N N 119.337 0.300 1 336 35 35 LYS H H 7.845 0.030 1 337 35 35 LYS HA H 3.872 0.030 1 338 35 35 LYS HB2 H 1.812 0.030 1 339 35 35 LYS HB3 H 1.812 0.030 1 340 35 35 LYS HD2 H 1.613 0.030 1 341 35 35 LYS HD3 H 1.613 0.030 1 342 35 35 LYS HE2 H 2.879 0.030 1 343 35 35 LYS HE3 H 2.879 0.030 1 344 35 35 LYS HG2 H 1.445 0.030 1 345 35 35 LYS HG3 H 1.445 0.030 1 346 35 35 LYS CA C 56.047 0.300 1 347 35 35 LYS CB C 29.952 0.300 1 348 35 35 LYS CD C 26.964 0.300 1 349 35 35 LYS CE C 39.582 0.300 1 350 35 35 LYS CG C 22.746 0.300 1 351 35 35 LYS N N 117.965 0.300 1 352 36 36 LYS H H 7.456 0.030 1 353 36 36 LYS HA H 3.900 0.030 1 354 36 36 LYS HB2 H 1.799 0.030 1 355 36 36 LYS HB3 H 1.799 0.030 1 356 36 36 LYS HD2 H 1.642 0.030 2 357 36 36 LYS HD3 H 1.600 0.030 2 358 36 36 LYS HE2 H 2.896 0.030 1 359 36 36 LYS HE3 H 2.896 0.030 1 360 36 36 LYS HG2 H 1.317 0.030 2 361 36 36 LYS HG3 H 1.456 0.030 2 362 36 36 LYS CA C 56.268 0.300 1 363 36 36 LYS CB C 30.242 0.300 1 364 36 36 LYS CD C 27.019 0.300 1 365 36 36 LYS CE C 39.665 0.300 1 366 36 36 LYS CG C 22.751 0.300 1 367 36 36 LYS N N 116.417 0.300 1 368 37 37 LYS H H 7.386 0.030 1 369 37 37 LYS HA H 3.917 0.030 1 370 37 37 LYS HB2 H 1.427 0.030 2 371 37 37 LYS HB3 H 1.214 0.030 2 372 37 37 LYS HD2 H 1.510 0.030 1 373 37 37 LYS HD3 H 1.510 0.030 1 374 37 37 LYS HE2 H 2.853 0.030 1 375 37 37 LYS HE3 H 2.853 0.030 1 376 37 37 LYS HG2 H 1.101 0.030 2 377 37 37 LYS HG3 H 1.286 0.030 2 378 37 37 LYS CA C 54.911 0.300 1 379 37 37 LYS CB C 31.452 0.300 1 380 37 37 LYS CD C 26.549 0.300 1 381 37 37 LYS CE C 39.831 0.300 1 382 37 37 LYS CG C 23.062 0.300 1 383 37 37 LYS N N 115.737 0.300 1 384 38 38 HIS H H 7.901 0.030 1 385 38 38 HIS HA H 4.922 0.030 1 386 38 38 HIS HB2 H 2.792 0.030 2 387 38 38 HIS HB3 H 2.560 0.030 2 388 38 38 HIS HD2 H 6.592 0.030 1 389 38 38 HIS HE1 H 8.311 0.030 1 390 38 38 HIS CA C 50.042 0.300 1 391 38 38 HIS CB C 26.246 0.300 1 392 38 38 HIS CD2 C 118.882 0.300 1 393 38 38 HIS CE1 C 134.356 0.300 1 394 38 38 HIS N N 115.278 0.300 1 395 39 39 PRO HA H 4.408 0.030 1 396 39 39 PRO HB2 H 2.282 0.030 2 397 39 39 PRO HB3 H 1.860 0.030 2 398 39 39 PRO HD2 H 3.218 0.030 2 399 39 39 PRO HD3 H 3.467 0.030 2 400 39 39 PRO HG2 H 1.839 0.030 2 401 39 39 PRO HG3 H 1.896 0.030 2 402 39 39 PRO C C 175.001 0.300 1 403 39 39 PRO CA C 62.608 0.300 1 404 39 39 PRO CB C 29.572 0.300 1 405 39 39 PRO CD C 47.801 0.300 1 406 39 39 PRO CG C 24.879 0.300 1 407 40 40 ASP H H 8.438 0.030 1 408 40 40 ASP HA H 4.561 0.030 1 409 40 40 ASP HB2 H 2.578 0.030 2 410 40 40 ASP HB3 H 2.663 0.030 2 411 40 40 ASP C C 173.321 0.300 1 412 40 40 ASP CA C 51.500 0.300 1 413 40 40 ASP CB C 38.559 0.300 1 414 40 40 ASP N N 115.836 0.300 1 415 41 41 ALA H H 7.442 0.030 1 416 41 41 ALA HA H 4.348 0.030 1 417 41 41 ALA HB H 1.325 0.030 1 418 41 41 ALA C C 175.254 0.300 1 419 41 41 ALA CA C 49.756 0.300 1 420 41 41 ALA CB C 17.991 0.300 1 421 41 41 ALA N N 122.492 0.300 1 422 42 42 SER H H 8.486 0.030 1 423 42 42 SER HA H 4.415 0.030 1 424 42 42 SER HB2 H 3.732 0.030 1 425 42 42 SER HB3 H 3.732 0.030 1 426 42 42 SER C C 172.049 0.300 1 427 42 42 SER CA C 55.541 0.300 1 428 42 42 SER CB C 61.299 0.300 1 429 42 42 SER N N 117.286 0.300 1 430 43 43 VAL H H 8.185 0.030 1 431 43 43 VAL HA H 3.863 0.030 1 432 43 43 VAL HB H 1.602 0.030 1 433 43 43 VAL HG1 H 0.464 0.030 1 434 43 43 VAL HG2 H 0.286 0.030 1 435 43 43 VAL C C 172.783 0.300 1 436 43 43 VAL CA C 59.199 0.300 1 437 43 43 VAL CB C 30.935 0.300 1 438 43 43 VAL CG1 C 18.176 0.300 2 439 43 43 VAL CG2 C 18.289 0.300 2 440 43 43 VAL N N 122.307 0.300 1 441 44 44 ASN H H 8.590 0.030 1 442 44 44 ASN HA H 4.667 0.030 1 443 44 44 ASN HB2 H 2.860 0.030 2 444 44 44 ASN HB3 H 2.689 0.030 2 445 44 44 ASN HD21 H 6.957 0.030 2 446 44 44 ASN HD22 H 7.633 0.030 2 447 44 44 ASN C C 173.115 0.300 1 448 44 44 ASN CA C 50.105 0.300 1 449 44 44 ASN CB C 36.014 0.300 1 450 44 44 ASN N N 124.937 0.300 1 451 44 44 ASN ND2 N 112.858 0.300 1 452 45 45 PHE H H 8.847 0.030 1 453 45 45 PHE HA H 4.074 0.030 1 454 45 45 PHE HB2 H 3.122 0.030 2 455 45 45 PHE HB3 H 3.036 0.030 2 456 45 45 PHE HD1 H 7.093 0.030 1 457 45 45 PHE HD2 H 7.093 0.030 1 458 45 45 PHE HE1 H 7.155 0.030 1 459 45 45 PHE HE2 H 7.155 0.030 1 460 45 45 PHE HZ H 7.161 0.030 1 461 45 45 PHE C C 175.284 0.300 1 462 45 45 PHE CA C 59.722 0.300 1 463 45 45 PHE CB C 36.686 0.300 1 464 45 45 PHE CD1 C 129.174 0.300 1 465 45 45 PHE CD2 C 129.174 0.300 1 466 45 45 PHE CE1 C 129.089 0.300 1 467 45 45 PHE CE2 C 129.089 0.300 1 468 45 45 PHE CZ C 127.551 0.300 1 469 45 45 PHE N N 125.929 0.300 1 470 46 46 SER H H 8.562 0.030 1 471 46 46 SER HA H 4.088 0.030 1 472 46 46 SER HB2 H 3.914 0.030 1 473 46 46 SER HB3 H 3.914 0.030 1 474 46 46 SER C C 174.585 0.300 1 475 46 46 SER CA C 59.466 0.300 1 476 46 46 SER CB C 60.124 0.300 1 477 46 46 SER N N 116.299 0.300 1 478 47 47 GLU H H 7.752 0.030 1 479 47 47 GLU HA H 3.949 0.030 1 480 47 47 GLU HB2 H 1.922 0.030 2 481 47 47 GLU HB3 H 1.990 0.030 2 482 47 47 GLU HG2 H 2.125 0.030 2 483 47 47 GLU HG3 H 2.232 0.030 2 484 47 47 GLU C C 176.145 0.300 1 485 47 47 GLU CA C 56.419 0.300 1 486 47 47 GLU CB C 27.435 0.300 1 487 47 47 GLU CG C 33.854 0.300 1 488 47 47 GLU N N 121.909 0.300 1 489 48 48 PHE H H 8.477 0.030 1 490 48 48 PHE HA H 3.962 0.030 1 491 48 48 PHE HB2 H 2.909 0.030 2 492 48 48 PHE HB3 H 2.703 0.030 2 493 48 48 PHE HD1 H 6.838 0.030 1 494 48 48 PHE HD2 H 6.838 0.030 1 495 48 48 PHE HE1 H 6.804 0.030 1 496 48 48 PHE HE2 H 6.804 0.030 1 497 48 48 PHE HZ H 6.733 0.030 1 498 48 48 PHE C C 175.485 0.300 1 499 48 48 PHE CA C 59.255 0.300 1 500 48 48 PHE CB C 37.373 0.300 1 501 48 48 PHE CD1 C 129.341 0.300 1 502 48 48 PHE CD2 C 129.341 0.300 1 503 48 48 PHE CE1 C 128.597 0.300 1 504 48 48 PHE CE2 C 128.597 0.300 1 505 48 48 PHE CZ C 126.731 0.300 1 506 48 48 PHE N N 121.335 0.300 1 507 49 49 SER H H 8.377 0.030 1 508 49 49 SER HA H 3.697 0.030 1 509 49 49 SER HB2 H 3.710 0.030 2 510 49 49 SER HB3 H 3.652 0.030 2 511 49 49 SER C C 174.074 0.300 1 512 49 49 SER CA C 59.699 0.300 1 513 49 49 SER CB C 60.195 0.300 1 514 49 49 SER N N 114.555 0.300 1 515 50 50 LYS H H 7.408 0.030 1 516 50 50 LYS HA H 3.981 0.030 1 517 50 50 LYS HB2 H 1.833 0.030 1 518 50 50 LYS HB3 H 1.833 0.030 1 519 50 50 LYS HD2 H 1.583 0.030 1 520 50 50 LYS HD3 H 1.583 0.030 1 521 50 50 LYS HE2 H 2.876 0.030 1 522 50 50 LYS HE3 H 2.876 0.030 1 523 50 50 LYS HG2 H 1.306 0.030 2 524 50 50 LYS HG3 H 1.446 0.030 2 525 50 50 LYS C C 176.562 0.300 1 526 50 50 LYS CA C 56.969 0.300 1 527 50 50 LYS CB C 29.933 0.300 1 528 50 50 LYS CD C 26.954 0.300 1 529 50 50 LYS CE C 39.665 0.300 1 530 50 50 LYS CG C 22.564 0.300 1 531 50 50 LYS N N 121.850 0.300 1 532 51 51 LYS H H 7.750 0.030 1 533 51 51 LYS HA H 3.983 0.030 1 534 51 51 LYS HB2 H 1.743 0.030 1 535 51 51 LYS HB3 H 1.743 0.030 1 536 51 51 LYS HD2 H 1.563 0.030 1 537 51 51 LYS HD3 H 1.563 0.030 1 538 51 51 LYS HE2 H 2.882 0.030 1 539 51 51 LYS HE3 H 2.882 0.030 1 540 51 51 LYS HG2 H 1.339 0.030 1 541 51 51 LYS HG3 H 1.339 0.030 1 542 51 51 LYS C C 177.900 0.300 1 543 51 51 LYS CA C 56.679 0.300 1 544 51 51 LYS CB C 29.292 0.300 1 545 51 51 LYS CD C 26.549 0.300 1 546 51 51 LYS CE C 39.748 0.300 1 547 51 51 LYS CG C 22.647 0.300 1 548 51 51 LYS N N 119.325 0.300 1 549 52 52 CYS H H 7.958 0.030 1 550 52 52 CYS HA H 4.013 0.030 1 551 52 52 CYS HB2 H 2.948 0.030 2 552 52 52 CYS HB3 H 2.487 0.030 2 553 52 52 CYS C C 174.363 0.300 1 554 52 52 CYS CA C 62.059 0.300 1 555 52 52 CYS CB C 24.562 0.300 1 556 52 52 CYS N N 117.211 0.300 1 557 53 53 SER H H 8.228 0.030 1 558 53 53 SER HA H 4.157 0.030 1 559 53 53 SER HB2 H 3.966 0.030 2 560 53 53 SER HB3 H 3.913 0.030 2 561 53 53 SER C C 175.102 0.300 1 562 53 53 SER CA C 59.788 0.300 1 563 53 53 SER CB C 60.377 0.300 1 564 53 53 SER N N 116.892 0.300 1 565 54 54 GLU H H 7.946 0.030 1 566 54 54 GLU HA H 3.980 0.030 1 567 54 54 GLU HB2 H 2.063 0.030 1 568 54 54 GLU HB3 H 2.063 0.030 1 569 54 54 GLU HG2 H 2.246 0.030 2 570 54 54 GLU HG3 H 2.358 0.030 2 571 54 54 GLU C C 177.880 0.300 1 572 54 54 GLU CA C 56.970 0.300 1 573 54 54 GLU CB C 27.178 0.300 1 574 54 54 GLU CG C 33.979 0.300 1 575 54 54 GLU N N 120.840 0.300 1 576 55 55 ARG H H 7.947 0.030 1 577 55 55 ARG HA H 4.067 0.030 1 578 55 55 ARG HB2 H 2.158 0.030 2 579 55 55 ARG HB3 H 2.073 0.030 2 580 55 55 ARG HD2 H 3.155 0.030 2 581 55 55 ARG HD3 H 3.302 0.030 2 582 55 55 ARG HE H 7.314 0.030 1 583 55 55 ARG HG2 H 1.878 0.030 2 584 55 55 ARG HG3 H 1.798 0.030 2 585 55 55 ARG C C 176.508 0.300 1 586 55 55 ARG CA C 56.448 0.300 1 587 55 55 ARG CB C 28.367 0.300 1 588 55 55 ARG CD C 41.551 0.300 1 589 55 55 ARG CG C 24.971 0.300 1 590 55 55 ARG N N 119.373 0.300 1 591 55 55 ARG NE N 83.852 0.300 1 592 56 56 TRP H H 8.567 0.030 1 593 56 56 TRP HA H 4.266 0.030 1 594 56 56 TRP HB2 H 3.237 0.030 2 595 56 56 TRP HB3 H 3.308 0.030 2 596 56 56 TRP HD1 H 6.930 0.030 1 597 56 56 TRP HE1 H 10.027 0.030 1 598 56 56 TRP HE3 H 6.031 0.030 1 599 56 56 TRP HH2 H 7.005 0.030 1 600 56 56 TRP HZ2 H 7.505 0.030 1 601 56 56 TRP HZ3 H 6.340 0.030 1 602 56 56 TRP C C 175.668 0.300 1 603 56 56 TRP CA C 57.256 0.300 1 604 56 56 TRP CB C 28.336 0.300 1 605 56 56 TRP CD1 C 125.186 0.300 1 606 56 56 TRP CE3 C 119.269 0.300 1 607 56 56 TRP CH2 C 121.507 0.300 1 608 56 56 TRP CZ2 C 111.999 0.300 1 609 56 56 TRP CZ3 C 119.462 0.300 1 610 56 56 TRP N N 120.398 0.300 1 611 56 56 TRP NE1 N 127.719 0.300 1 612 57 57 LYS H H 7.496 0.030 1 613 57 57 LYS HA H 3.933 0.030 1 614 57 57 LYS HB2 H 1.893 0.030 1 615 57 57 LYS HB3 H 1.893 0.030 1 616 57 57 LYS HD2 H 1.620 0.030 1 617 57 57 LYS HD3 H 1.620 0.030 1 618 57 57 LYS HE2 H 2.870 0.030 1 619 57 57 LYS HE3 H 2.870 0.030 1 620 57 57 LYS HG2 H 1.427 0.030 2 621 57 57 LYS HG3 H 1.609 0.030 2 622 57 57 LYS C C 175.768 0.300 1 623 57 57 LYS CA C 56.669 0.300 1 624 57 57 LYS CB C 30.538 0.300 1 625 57 57 LYS CD C 27.130 0.300 1 626 57 57 LYS CE C 39.748 0.300 1 627 57 57 LYS CG C 23.010 0.300 1 628 57 57 LYS N N 114.403 0.300 1 629 58 58 THR H H 7.310 0.030 1 630 58 58 THR HA H 4.287 0.030 1 631 58 58 THR HB H 4.377 0.030 1 632 58 58 THR HG2 H 1.161 0.030 1 633 58 58 THR C C 172.506 0.300 1 634 58 58 THR CA C 58.999 0.300 1 635 58 58 THR CB C 67.424 0.300 1 636 58 58 THR CG2 C 19.415 0.300 1 637 58 58 THR N N 106.176 0.300 1 638 59 59 MET H H 7.035 0.030 1 639 59 59 MET HA H 4.120 0.030 1 640 59 59 MET HB2 H 1.726 0.030 2 641 59 59 MET HB3 H 1.542 0.030 2 642 59 59 MET HE H 1.739 0.030 1 643 59 59 MET HG2 H 2.447 0.030 1 644 59 59 MET HG3 H 2.447 0.030 1 645 59 59 MET C C 173.495 0.300 1 646 59 59 MET CA C 54.105 0.300 1 647 59 59 MET CB C 32.835 0.300 1 648 59 59 MET CE C 14.048 0.300 1 649 59 59 MET CG C 29.143 0.300 1 650 59 59 MET N N 123.475 0.300 1 651 60 60 SER H H 8.919 0.030 1 652 60 60 SER HA H 4.261 0.030 1 653 60 60 SER HB2 H 3.973 0.030 2 654 60 60 SER HB3 H 4.263 0.030 2 655 60 60 SER C C 172.216 0.300 1 656 60 60 SER CA C 54.833 0.300 1 657 60 60 SER CB C 63.110 0.300 1 658 60 60 SER N N 119.638 0.300 1 659 61 61 ALA H H 8.755 0.030 1 660 61 61 ALA HA H 3.824 0.030 1 661 61 61 ALA HB H 1.339 0.030 1 662 61 61 ALA C C 178.916 0.300 1 663 61 61 ALA CA C 53.159 0.300 1 664 61 61 ALA CB C 15.505 0.300 1 665 61 61 ALA N N 123.015 0.300 1 666 62 62 LYS H H 8.155 0.030 1 667 62 62 LYS HA H 3.991 0.030 1 668 62 62 LYS HB2 H 1.772 0.030 2 669 62 62 LYS HB3 H 1.665 0.030 2 670 62 62 LYS HD2 H 1.622 0.030 1 671 62 62 LYS HD3 H 1.622 0.030 1 672 62 62 LYS HE2 H 2.895 0.030 1 673 62 62 LYS HE3 H 2.895 0.030 1 674 62 62 LYS HG2 H 1.330 0.030 1 675 62 62 LYS HG3 H 1.330 0.030 1 676 62 62 LYS C C 177.262 0.300 1 677 62 62 LYS CA C 56.891 0.300 1 678 62 62 LYS CB C 30.043 0.300 1 679 62 62 LYS CD C 27.047 0.300 1 680 62 62 LYS CE C 39.665 0.300 1 681 62 62 LYS CG C 22.730 0.300 1 682 62 62 LYS N N 117.738 0.300 1 683 63 63 GLU H H 7.583 0.030 1 684 63 63 GLU HA H 3.999 0.030 1 685 63 63 GLU HB2 H 2.034 0.030 2 686 63 63 GLU HB3 H 2.131 0.030 2 687 63 63 GLU HG2 H 2.285 0.030 1 688 63 63 GLU HG3 H 2.285 0.030 1 689 63 63 GLU C C 176.423 0.300 1 690 63 63 GLU CA C 56.569 0.300 1 691 63 63 GLU CB C 27.950 0.300 1 692 63 63 GLU CG C 35.307 0.300 1 693 63 63 GLU N N 120.059 0.300 1 694 64 64 LYS H H 8.036 0.030 1 695 64 64 LYS HA H 4.065 0.030 1 696 64 64 LYS HB2 H 1.665 0.030 2 697 64 64 LYS HB3 H 1.461 0.030 2 698 64 64 LYS HD2 H 0.703 0.030 2 699 64 64 LYS HD3 H 0.773 0.030 2 700 64 64 LYS HE2 H 1.158 0.030 2 701 64 64 LYS HE3 H 1.825 0.030 2 702 64 64 LYS HG2 H -0.109 0.030 2 703 64 64 LYS HG3 H 0.916 0.030 2 704 64 64 LYS C C 176.604 0.300 1 705 64 64 LYS CA C 57.206 0.300 1 706 64 64 LYS CB C 30.814 0.300 1 707 64 64 LYS CD C 26.865 0.300 1 708 64 64 LYS CE C 39.730 0.300 1 709 64 64 LYS CG C 24.031 0.300 1 710 64 64 LYS N N 116.673 0.300 1 711 65 65 GLY H H 7.765 0.030 1 712 65 65 GLY HA2 H 3.764 0.030 2 713 65 65 GLY HA3 H 3.941 0.030 2 714 65 65 GLY C C 172.831 0.300 1 715 65 65 GLY CA C 45.584 0.300 1 716 65 65 GLY N N 106.802 0.300 1 717 66 66 LYS H H 7.806 0.030 1 718 66 66 LYS HA H 3.981 0.030 1 719 66 66 LYS HB2 H 1.553 0.030 2 720 66 66 LYS HB3 H 1.242 0.030 2 721 66 66 LYS HD2 H 1.387 0.030 1 722 66 66 LYS HD3 H 1.387 0.030 1 723 66 66 LYS HE2 H 2.709 0.030 1 724 66 66 LYS HE3 H 2.709 0.030 1 725 66 66 LYS HG2 H 0.687 0.030 2 726 66 66 LYS HG3 H 0.759 0.030 2 727 66 66 LYS C C 176.193 0.300 1 728 66 66 LYS CA C 56.646 0.300 1 729 66 66 LYS CB C 29.330 0.300 1 730 66 66 LYS CD C 26.769 0.300 1 731 66 66 LYS CE C 39.452 0.300 1 732 66 66 LYS CG C 21.280 0.300 1 733 66 66 LYS N N 119.070 0.300 1 734 67 67 PHE H H 7.218 0.030 1 735 67 67 PHE HA H 4.373 0.030 1 736 67 67 PHE HB2 H 3.299 0.030 2 737 67 67 PHE HB3 H 4.028 0.030 2 738 67 67 PHE HD1 H 7.519 0.030 1 739 67 67 PHE HD2 H 7.519 0.030 1 740 67 67 PHE HE1 H 7.655 0.030 1 741 67 67 PHE HE2 H 7.655 0.030 1 742 67 67 PHE HZ H 7.738 0.030 1 743 67 67 PHE C C 176.134 0.300 1 744 67 67 PHE CA C 58.483 0.300 1 745 67 67 PHE CB C 36.474 0.300 1 746 67 67 PHE CD1 C 129.717 0.300 1 747 67 67 PHE CD2 C 129.717 0.300 1 748 67 67 PHE CE1 C 129.958 0.300 1 749 67 67 PHE CE2 C 129.958 0.300 1 750 67 67 PHE CZ C 128.326 0.300 1 751 67 67 PHE N N 119.545 0.300 1 752 68 68 GLU H H 8.328 0.030 1 753 68 68 GLU HA H 4.349 0.030 1 754 68 68 GLU HB2 H 2.159 0.030 2 755 68 68 GLU HB3 H 2.250 0.030 2 756 68 68 GLU HG2 H 2.423 0.030 2 757 68 68 GLU HG3 H 2.480 0.030 2 758 68 68 GLU C C 177.875 0.300 1 759 68 68 GLU CA C 56.921 0.300 1 760 68 68 GLU CB C 26.450 0.300 1 761 68 68 GLU CG C 33.548 0.300 1 762 68 68 GLU N N 121.812 0.300 1 763 69 69 ASP H H 8.534 0.030 1 764 69 69 ASP HA H 4.371 0.030 1 765 69 69 ASP HB2 H 2.676 0.030 2 766 69 69 ASP HB3 H 2.505 0.030 2 767 69 69 ASP C C 177.382 0.300 1 768 69 69 ASP CA C 55.364 0.300 1 769 69 69 ASP CB C 37.241 0.300 1 770 69 69 ASP N N 120.897 0.300 1 771 70 70 MET H H 7.297 0.030 1 772 70 70 MET HA H 3.703 0.030 1 773 70 70 MET HB2 H 2.136 0.030 2 774 70 70 MET HB3 H 2.581 0.030 2 775 70 70 MET HE H 1.826 0.030 1 776 70 70 MET HG2 H 1.605 0.030 2 777 70 70 MET HG3 H 0.403 0.030 2 778 70 70 MET C C 176.279 0.300 1 779 70 70 MET CA C 57.048 0.300 1 780 70 70 MET CB C 30.007 0.300 1 781 70 70 MET CE C 15.650 0.300 1 782 70 70 MET CG C 29.352 0.300 1 783 70 70 MET N N 120.512 0.300 1 784 71 71 ALA H H 7.908 0.030 1 785 71 71 ALA HA H 4.296 0.030 1 786 71 71 ALA HB H 1.687 0.030 1 787 71 71 ALA C C 178.240 0.300 1 788 71 71 ALA CA C 53.181 0.300 1 789 71 71 ALA CB C 16.180 0.300 1 790 71 71 ALA N N 122.936 0.300 1 791 72 72 LYS H H 8.497 0.030 1 792 72 72 LYS HA H 4.042 0.030 1 793 72 72 LYS HB2 H 1.936 0.030 1 794 72 72 LYS HB3 H 1.936 0.030 1 795 72 72 LYS HD2 H 1.688 0.030 1 796 72 72 LYS HD3 H 1.688 0.030 1 797 72 72 LYS HE2 H 2.919 0.030 1 798 72 72 LYS HE3 H 2.919 0.030 1 799 72 72 LYS HG2 H 1.617 0.030 2 800 72 72 LYS HG3 H 1.409 0.030 2 801 72 72 LYS C C 177.483 0.300 1 802 72 72 LYS CA C 57.784 0.300 1 803 72 72 LYS CB C 30.259 0.300 1 804 72 72 LYS CD C 27.296 0.300 1 805 72 72 LYS CE C 39.831 0.300 1 806 72 72 LYS CG C 23.172 0.300 1 807 72 72 LYS N N 122.018 0.300 1 808 73 73 ALA H H 7.843 0.030 1 809 73 73 ALA HA H 4.233 0.030 1 810 73 73 ALA HB H 1.442 0.030 1 811 73 73 ALA C C 178.399 0.300 1 812 73 73 ALA CA C 52.404 0.300 1 813 73 73 ALA CB C 15.398 0.300 1 814 73 73 ALA N N 122.530 0.300 1 815 74 74 ASP H H 8.238 0.030 1 816 74 74 ASP HA H 4.839 0.030 1 817 74 74 ASP HB2 H 3.020 0.030 1 818 74 74 ASP HB3 H 3.020 0.030 1 819 74 74 ASP C C 175.346 0.300 1 820 74 74 ASP CA C 55.118 0.300 1 821 74 74 ASP CB C 40.552 0.300 1 822 74 74 ASP N N 120.148 0.300 1 823 75 75 LYS H H 8.129 0.030 1 824 75 75 LYS HA H 3.944 0.030 1 825 75 75 LYS HB2 H 2.040 0.030 1 826 75 75 LYS HB3 H 2.040 0.030 1 827 75 75 LYS HD2 H 1.655 0.030 1 828 75 75 LYS HD3 H 1.655 0.030 1 829 75 75 LYS HE2 H 3.003 0.030 1 830 75 75 LYS HE3 H 3.003 0.030 1 831 75 75 LYS HG2 H 1.382 0.030 1 832 75 75 LYS HG3 H 1.382 0.030 1 833 75 75 LYS C C 175.404 0.300 1 834 75 75 LYS CA C 57.411 0.300 1 835 75 75 LYS CB C 30.134 0.300 1 836 75 75 LYS CD C 27.711 0.300 1 837 75 75 LYS CE C 39.914 0.300 1 838 75 75 LYS CG C 22.647 0.300 1 839 75 75 LYS N N 120.344 0.300 1 840 76 76 ALA H H 7.397 0.030 1 841 76 76 ALA HA H 4.190 0.030 1 842 76 76 ALA HB H 1.480 0.030 1 843 76 76 ALA C C 177.985 0.300 1 844 76 76 ALA CA C 52.590 0.300 1 845 76 76 ALA CB C 15.481 0.300 1 846 76 76 ALA N N 120.485 0.300 1 847 77 77 ARG H H 7.882 0.030 1 848 77 77 ARG HA H 3.930 0.030 1 849 77 77 ARG HB2 H 1.970 0.030 2 850 77 77 ARG HB3 H 2.400 0.030 2 851 77 77 ARG HD2 H 3.100 0.030 2 852 77 77 ARG HD3 H 3.032 0.030 2 853 77 77 ARG HE H 7.452 0.030 1 854 77 77 ARG HG2 H 1.672 0.030 2 855 77 77 ARG HG3 H 1.868 0.030 2 856 77 77 ARG C C 175.684 0.300 1 857 77 77 ARG CA C 57.070 0.300 1 858 77 77 ARG CB C 25.206 0.300 1 859 77 77 ARG CD C 39.895 0.300 1 860 77 77 ARG CG C 22.873 0.300 1 861 77 77 ARG N N 120.560 0.300 1 862 77 77 ARG NE N 82.993 0.300 1 863 78 78 TYR H H 8.483 0.030 1 864 78 78 TYR HA H 3.881 0.030 1 865 78 78 TYR HB2 H 2.993 0.030 2 866 78 78 TYR HB3 H 3.097 0.030 2 867 78 78 TYR HD1 H 7.116 0.030 1 868 78 78 TYR HD2 H 7.116 0.030 1 869 78 78 TYR HE1 H 6.717 0.030 1 870 78 78 TYR HE2 H 6.717 0.030 1 871 78 78 TYR CA C 59.889 0.300 1 872 78 78 TYR CB C 36.843 0.300 1 873 78 78 TYR CD1 C 131.096 0.300 1 874 78 78 TYR CD2 C 131.096 0.300 1 875 78 78 TYR CE1 C 115.925 0.300 1 876 78 78 TYR CE2 C 115.925 0.300 1 877 78 78 TYR N N 121.464 0.300 1 878 79 79 GLU H H 8.350 0.030 1 879 79 79 GLU HA H 3.696 0.030 1 880 79 79 GLU HB2 H 2.050 0.030 2 881 79 79 GLU HB3 H 1.940 0.030 2 882 79 79 GLU HG2 H 2.650 0.030 2 883 79 79 GLU HG3 H 2.329 0.030 2 884 79 79 GLU CA C 57.038 0.300 1 885 79 79 GLU CB C 26.964 0.300 1 886 79 79 GLU CG C 34.741 0.300 1 887 79 79 GLU N N 116.691 0.300 1 888 80 80 ARG H H 7.935 0.030 1 889 80 80 ARG HA H 4.024 0.030 1 890 80 80 ARG HB2 H 1.920 0.030 1 891 80 80 ARG HB3 H 1.920 0.030 1 892 80 80 ARG HD2 H 3.188 0.030 1 893 80 80 ARG HD3 H 3.188 0.030 1 894 80 80 ARG HE H 7.265 0.030 1 895 80 80 ARG HG2 H 1.539 0.030 2 896 80 80 ARG HG3 H 1.669 0.030 2 897 80 80 ARG CA C 57.015 0.300 1 898 80 80 ARG CB C 27.711 0.300 1 899 80 80 ARG CD C 41.076 0.300 1 900 80 80 ARG CG C 25.104 0.300 1 901 80 80 ARG N N 119.167 0.300 1 902 80 80 ARG NE N 83.452 0.300 1 903 81 81 GLU H H 8.388 0.030 1 904 81 81 GLU HA H 3.932 0.030 1 905 81 81 GLU HB2 H 1.783 0.030 2 906 81 81 GLU HB3 H 1.919 0.030 2 907 81 81 GLU HG2 H 2.085 0.030 2 908 81 81 GLU HG3 H 2.554 0.030 2 909 81 81 GLU C C 176.477 0.300 1 910 81 81 GLU CA C 56.807 0.300 1 911 81 81 GLU CB C 27.298 0.300 1 912 81 81 GLU CG C 35.265 0.300 1 913 81 81 GLU N N 119.531 0.300 1 914 82 82 MET H H 8.347 0.030 1 915 82 82 MET HA H 4.343 0.030 1 916 82 82 MET HB2 H 1.791 0.030 1 917 82 82 MET HB3 H 1.791 0.030 1 918 82 82 MET HE H 1.935 0.030 1 919 82 82 MET HG2 H 1.725 0.030 2 920 82 82 MET HG3 H 1.879 0.030 2 921 82 82 MET CA C 53.529 0.300 1 922 82 82 MET CB C 28.324 0.300 1 923 82 82 MET CE C 13.888 0.300 1 924 82 82 MET CG C 29.833 0.300 1 925 82 82 MET N N 117.191 0.300 1 926 83 83 LYS H H 7.438 0.030 1 927 83 83 LYS HA H 4.098 0.030 1 928 83 83 LYS HB2 H 1.886 0.030 1 929 83 83 LYS HB3 H 1.886 0.030 1 930 83 83 LYS HD2 H 1.589 0.030 1 931 83 83 LYS HD3 H 1.589 0.030 1 932 83 83 LYS HE2 H 2.903 0.030 1 933 83 83 LYS HE3 H 2.903 0.030 1 934 83 83 LYS HG2 H 1.437 0.030 1 935 83 83 LYS HG3 H 1.437 0.030 1 936 83 83 LYS CA C 56.477 0.300 1 937 83 83 LYS CB C 30.253 0.300 1 938 83 83 LYS CD C 26.881 0.300 1 939 83 83 LYS CE C 39.831 0.300 1 940 83 83 LYS CG C 22.730 0.300 1 941 83 83 LYS N N 118.583 0.300 1 942 84 84 THR H H 7.270 0.030 1 943 84 84 THR HA H 4.290 0.030 1 944 84 84 THR HB H 4.332 0.030 1 945 84 84 THR HG2 H 1.109 0.030 1 946 84 84 THR C C 171.671 0.300 1 947 84 84 THR CA C 59.085 0.300 1 948 84 84 THR CB C 66.946 0.300 1 949 84 84 THR CG2 C 19.359 0.300 1 950 84 84 THR N N 107.064 0.300 1 951 85 85 TYR H H 7.442 0.030 1 952 85 85 TYR HA H 4.436 0.030 1 953 85 85 TYR HB2 H 2.850 0.030 2 954 85 85 TYR HB3 H 2.982 0.030 2 955 85 85 TYR HD1 H 6.996 0.030 1 956 85 85 TYR HD2 H 6.996 0.030 1 957 85 85 TYR HE1 H 6.645 0.030 1 958 85 85 TYR HE2 H 6.645 0.030 1 959 85 85 TYR C C 172.040 0.300 1 960 85 85 TYR CA C 56.038 0.300 1 961 85 85 TYR CB C 36.779 0.300 1 962 85 85 TYR CD1 C 131.007 0.300 1 963 85 85 TYR CD2 C 131.007 0.300 1 964 85 85 TYR CE1 C 115.328 0.300 1 965 85 85 TYR CE2 C 115.328 0.300 1 966 85 85 TYR N N 123.442 0.300 1 967 86 86 ILE H H 7.713 0.030 1 968 86 86 ILE HA H 4.188 0.030 1 969 86 86 ILE HB H 1.571 0.030 1 970 86 86 ILE HD1 H 0.702 0.030 1 971 86 86 ILE HG12 H 1.347 0.030 2 972 86 86 ILE HG13 H 0.932 0.030 2 973 86 86 ILE HG2 H 0.711 0.030 1 974 86 86 ILE C C 170.437 0.300 1 975 86 86 ILE CA C 55.049 0.300 1 976 86 86 ILE CB C 36.691 0.300 1 977 86 86 ILE CD1 C 10.287 0.300 1 978 86 86 ILE CG1 C 24.446 0.300 1 979 86 86 ILE CG2 C 14.608 0.300 1 980 86 86 ILE N N 128.768 0.300 1 981 87 87 PRO HA H 4.325 0.030 1 982 87 87 PRO HB2 H 2.248 0.030 2 983 87 87 PRO HB3 H 1.781 0.030 2 984 87 87 PRO HD2 H 3.484 0.030 2 985 87 87 PRO HD3 H 3.417 0.030 2 986 87 87 PRO HG2 H 1.884 0.030 1 987 87 87 PRO HG3 H 1.884 0.030 1 988 87 87 PRO CA C 58.716 0.300 1 989 87 87 PRO CB C 28.589 0.300 1 990 87 87 PRO CD C 48.468 0.300 1 991 87 87 PRO CG C 24.803 0.300 1 992 88 88 PRO HA H 4.310 0.030 1 993 88 88 PRO HB2 H 2.220 0.030 2 994 88 88 PRO HB3 H 1.809 0.030 2 995 88 88 PRO HD2 H 3.548 0.030 2 996 88 88 PRO HD3 H 3.788 0.030 2 997 88 88 PRO HG2 H 1.957 0.030 1 998 88 88 PRO HG3 H 1.957 0.030 1 999 88 88 PRO C C 174.682 0.300 1 1000 88 88 PRO CA C 60.471 0.300 1 1001 88 88 PRO CB C 29.853 0.300 1 1002 88 88 PRO CD C 48.258 0.300 1 1003 88 88 PRO CG C 25.054 0.300 1 1004 89 89 LYS H H 8.345 0.030 1 1005 89 89 LYS HA H 4.163 0.030 1 1006 89 89 LYS HB2 H 1.677 0.030 2 1007 89 89 LYS HB3 H 1.740 0.030 2 1008 89 89 LYS HD2 H 1.596 0.030 1 1009 89 89 LYS HD3 H 1.596 0.030 1 1010 89 89 LYS HE2 H 2.907 0.030 1 1011 89 89 LYS HE3 H 2.907 0.030 1 1012 89 89 LYS HG2 H 1.344 0.030 1 1013 89 89 LYS HG3 H 1.344 0.030 1 1014 89 89 LYS C C 174.917 0.300 1 1015 89 89 LYS CA C 54.278 0.300 1 1016 89 89 LYS CB C 30.689 0.300 1 1017 89 89 LYS CD C 26.798 0.300 1 1018 89 89 LYS CE C 39.748 0.300 1 1019 89 89 LYS CG C 22.489 0.300 1 1020 89 89 LYS N N 121.521 0.300 1 1021 90 90 GLY H H 8.345 0.030 1 1022 90 90 GLY HA2 H 3.830 0.030 2 1023 90 90 GLY HA3 H 3.901 0.030 2 1024 90 90 GLY C C 171.623 0.300 1 1025 90 90 GLY CA C 42.862 0.300 1 1026 90 90 GLY N N 109.671 0.300 1 1027 91 91 GLU H H 8.238 0.030 1 1028 91 91 GLU HA H 4.287 0.030 1 1029 91 91 GLU HB2 H 1.849 0.030 2 1030 91 91 GLU HB3 H 1.971 0.030 2 1031 91 91 GLU HG2 H 2.142 0.030 2 1032 91 91 GLU HG3 H 2.182 0.030 2 1033 91 91 GLU C C 174.468 0.300 1 1034 91 91 GLU CA C 54.038 0.300 1 1035 91 91 GLU CB C 28.261 0.300 1 1036 91 91 GLU CG C 33.854 0.300 1 1037 91 91 GLU N N 120.513 0.300 1 1038 92 92 THR H H 8.258 0.030 1 1039 92 92 THR HA H 4.215 0.030 1 1040 92 92 THR HB H 4.100 0.030 1 1041 92 92 THR HG2 H 1.122 0.030 1 1042 92 92 THR C C 172.202 0.300 1 1043 92 92 THR CA C 59.837 0.300 1 1044 92 92 THR CB C 67.349 0.300 1 1045 92 92 THR CG2 C 19.326 0.300 1 1046 92 92 THR N N 116.276 0.300 1 1047 93 93 LYS H H 8.310 0.030 1 1048 93 93 LYS HA H 4.244 0.030 1 1049 93 93 LYS HB2 H 1.679 0.030 2 1050 93 93 LYS HB3 H 1.740 0.030 2 1051 93 93 LYS HD2 H 1.637 0.030 1 1052 93 93 LYS HD3 H 1.637 0.030 1 1053 93 93 LYS HE2 H 2.943 0.030 1 1054 93 93 LYS HE3 H 2.943 0.030 1 1055 93 93 LYS HG2 H 1.346 0.030 2 1056 93 93 LYS HG3 H 1.446 0.030 2 1057 93 93 LYS C C 174.107 0.300 1 1058 93 93 LYS CA C 54.086 0.300 1 1059 93 93 LYS CB C 30.593 0.300 1 1060 93 93 LYS CD C 26.854 0.300 1 1061 93 93 LYS CE C 39.831 0.300 1 1062 93 93 LYS CG C 22.564 0.300 1 1063 93 93 LYS N N 123.991 0.300 1 1064 94 94 LYS H H 8.226 0.030 1 1065 94 94 LYS HA H 4.231 0.030 1 1066 94 94 LYS HB2 H 1.638 0.030 1 1067 94 94 LYS HB3 H 1.638 0.030 1 1068 94 94 LYS HD2 H 1.568 0.030 1 1069 94 94 LYS HD3 H 1.568 0.030 1 1070 94 94 LYS HE2 H 2.872 0.030 1 1071 94 94 LYS HE3 H 2.872 0.030 1 1072 94 94 LYS HG2 H 1.320 0.030 1 1073 94 94 LYS HG3 H 1.320 0.030 1 1074 94 94 LYS C C 173.877 0.300 1 1075 94 94 LYS CA C 53.959 0.300 1 1076 94 94 LYS CB C 30.803 0.300 1 1077 94 94 LYS CD C 26.715 0.300 1 1078 94 94 LYS CE C 39.748 0.300 1 1079 94 94 LYS CG C 22.540 0.300 1 1080 94 94 LYS N N 122.685 0.300 1 1081 95 95 LYS H H 8.221 0.030 1 1082 95 95 LYS HA H 4.162 0.030 1 1083 95 95 LYS HB2 H 1.604 0.030 1 1084 95 95 LYS HB3 H 1.604 0.030 1 1085 95 95 LYS HD2 H 1.569 0.030 1 1086 95 95 LYS HD3 H 1.569 0.030 1 1087 95 95 LYS HE2 H 2.895 0.030 1 1088 95 95 LYS HE3 H 2.895 0.030 1 1089 95 95 LYS HG2 H 1.255 0.030 1 1090 95 95 LYS HG3 H 1.255 0.030 1 1091 95 95 LYS C C 173.691 0.300 1 1092 95 95 LYS CA C 53.909 0.300 1 1093 95 95 LYS CB C 30.829 0.300 1 1094 95 95 LYS CD C 26.798 0.300 1 1095 95 95 LYS CE C 39.665 0.300 1 1096 95 95 LYS CG C 22.396 0.300 1 1097 95 95 LYS N N 122.508 0.300 1 1098 96 96 PHE H H 8.186 0.030 1 1099 96 96 PHE HA H 4.524 0.030 1 1100 96 96 PHE HB2 H 2.942 0.030 2 1101 96 96 PHE HB3 H 2.995 0.030 2 1102 96 96 PHE HD1 H 7.177 0.030 1 1103 96 96 PHE HD2 H 7.177 0.030 1 1104 96 96 PHE HE1 H 7.231 0.030 1 1105 96 96 PHE HE2 H 7.231 0.030 1 1106 96 96 PHE C C 172.846 0.300 1 1107 96 96 PHE CA C 55.169 0.300 1 1108 96 96 PHE CB C 37.625 0.300 1 1109 96 96 PHE CD1 C 129.551 0.300 1 1110 96 96 PHE CD2 C 129.551 0.300 1 1111 96 96 PHE CE1 C 127.469 0.300 1 1112 96 96 PHE CE2 C 127.469 0.300 1 1113 96 96 PHE N N 121.660 0.300 1 1114 97 97 LYS H H 8.133 0.030 1 1115 97 97 LYS HA H 4.135 0.030 1 1116 97 97 LYS HB2 H 1.589 0.030 2 1117 97 97 LYS HB3 H 1.661 0.030 2 1118 97 97 LYS HD2 H 1.598 0.030 2 1119 97 97 LYS HD3 H 1.750 0.030 2 1120 97 97 LYS HE2 H 2.882 0.030 1 1121 97 97 LYS HE3 H 2.882 0.030 1 1122 97 97 LYS HG2 H 1.195 0.030 2 1123 97 97 LYS HG3 H 1.250 0.030 2 1124 97 97 LYS C C 172.843 0.300 1 1125 97 97 LYS CA C 53.380 0.300 1 1126 97 97 LYS CB C 30.727 0.300 1 1127 97 97 LYS CD C 26.541 0.300 1 1128 97 97 LYS CE C 39.665 0.300 1 1129 97 97 LYS CG C 22.277 0.300 1 1130 97 97 LYS N N 123.955 0.300 1 1131 98 98 ASP H H 8.272 0.030 1 1132 98 98 ASP HA H 4.692 0.030 1 1133 98 98 ASP HB2 H 2.565 0.030 2 1134 98 98 ASP HB3 H 2.788 0.030 2 1135 98 98 ASP C C 173.345 0.300 1 1136 98 98 ASP CA C 49.336 0.300 1 1137 98 98 ASP CB C 39.292 0.300 1 1138 98 98 ASP N N 123.505 0.300 1 1139 99 99 PRO HA H 4.328 0.030 1 1140 99 99 PRO HB2 H 2.219 0.030 2 1141 99 99 PRO HB3 H 1.914 0.030 2 1142 99 99 PRO HD2 H 3.888 0.030 2 1143 99 99 PRO HD3 H 3.852 0.030 2 1144 99 99 PRO HG2 H 1.969 0.030 2 1145 99 99 PRO HG3 H 1.889 0.030 2 1146 99 99 PRO C C 174.543 0.300 1 1147 99 99 PRO CA C 61.538 0.300 1 1148 99 99 PRO CB C 29.833 0.300 1 1149 99 99 PRO CD C 48.761 0.300 1 1150 99 99 PRO CG C 24.473 0.300 1 1151 100 100 ASN H H 8.310 0.030 1 1152 100 100 ASN HA H 4.631 0.030 1 1153 100 100 ASN HB2 H 2.738 0.030 2 1154 100 100 ASN HB3 H 2.792 0.030 2 1155 100 100 ASN HD21 H 7.758 0.030 2 1156 100 100 ASN HD22 H 6.941 0.030 2 1157 100 100 ASN C C 171.864 0.300 1 1158 100 100 ASN CA C 50.544 0.300 1 1159 100 100 ASN CB C 36.732 0.300 1 1160 100 100 ASN N N 116.443 0.300 1 1161 100 100 ASN ND2 N 114.220 0.300 1 1162 101 101 ALA H H 7.324 0.030 1 1163 101 101 ALA HA H 3.504 0.030 1 1164 101 101 ALA HB H 1.041 0.030 1 1165 101 101 ALA C C 172.852 0.300 1 1166 101 101 ALA CA C 48.241 0.300 1 1167 101 101 ALA CB C 15.008 0.300 1 1168 101 101 ALA N N 123.699 0.300 1 1169 102 102 PRO HA H 4.232 0.030 1 1170 102 102 PRO HB2 H 2.273 0.030 2 1171 102 102 PRO HB3 H 1.732 0.030 2 1172 102 102 PRO HD2 H 2.873 0.030 2 1173 102 102 PRO HD3 H 3.084 0.030 2 1174 102 102 PRO HG2 H 1.528 0.030 2 1175 102 102 PRO HG3 H 1.693 0.030 2 1176 102 102 PRO C C 173.477 0.300 1 1177 102 102 PRO CA C 60.617 0.300 1 1178 102 102 PRO CB C 29.517 0.300 1 1179 102 102 PRO CD C 47.467 0.300 1 1180 102 102 PRO CG C 25.256 0.300 1 1181 103 103 LYS H H 8.417 0.030 1 1182 103 103 LYS HA H 4.199 0.030 1 1183 103 103 LYS HB2 H 1.563 0.030 2 1184 103 103 LYS HB3 H 1.649 0.030 2 1185 103 103 LYS HD2 H 1.560 0.030 1 1186 103 103 LYS HD3 H 1.560 0.030 1 1187 103 103 LYS HE2 H 2.879 0.030 1 1188 103 103 LYS HE3 H 2.879 0.030 1 1189 103 103 LYS HG2 H 1.345 0.030 2 1190 103 103 LYS HG3 H 1.394 0.030 2 1191 103 103 LYS C C 173.519 0.300 1 1192 103 103 LYS CA C 53.049 0.300 1 1193 103 103 LYS CB C 31.038 0.300 1 1194 103 103 LYS CD C 26.608 0.300 1 1195 103 103 LYS CE C 39.831 0.300 1 1196 103 103 LYS CG C 22.551 0.300 1 1197 103 103 LYS N N 123.189 0.300 1 1198 104 104 ARG H H 8.193 0.030 1 1199 104 104 ARG HA H 3.304 0.030 1 1200 104 104 ARG HB2 H 1.419 0.030 1 1201 104 104 ARG HB3 H 1.419 0.030 1 1202 104 104 ARG HD2 H 3.000 0.030 2 1203 104 104 ARG HG2 H 1.333 0.030 2 1204 104 104 ARG HG3 H 1.479 0.030 2 1205 104 104 ARG CA C 52.186 0.300 1 1206 104 104 ARG CB C 26.875 0.300 1 1207 104 104 ARG CD C 40.926 0.300 1 1208 104 104 ARG CG C 25.145 0.300 1 1209 104 104 ARG N N 122.483 0.300 1 1210 105 105 PRO HA H 4.544 0.030 1 1211 105 105 PRO HB2 H 1.915 0.030 2 1212 105 105 PRO HB3 H 2.001 0.030 2 1213 105 105 PRO HD2 H 2.612 0.030 2 1214 105 105 PRO HD3 H 2.867 0.030 2 1215 105 105 PRO HG2 H 1.805 0.030 2 1216 105 105 PRO HG3 H 1.587 0.030 2 1217 105 105 PRO CA C 58.724 0.300 1 1218 105 105 PRO CB C 28.547 0.300 1 1219 105 105 PRO CD C 47.124 0.300 1 1220 105 105 PRO CG C 24.356 0.300 1 1221 106 106 PRO HA H 4.239 0.030 1 1222 106 106 PRO HB2 H 1.847 0.030 1 1223 106 106 PRO HB3 H 1.847 0.030 1 1224 106 106 PRO HD2 H 3.411 0.030 2 1225 106 106 PRO HD3 H 3.564 0.030 2 1226 106 106 PRO HG2 H 1.857 0.030 1 1227 106 106 PRO HG3 H 1.857 0.030 1 1228 106 106 PRO C C 173.471 0.300 1 1229 106 106 PRO CA C 59.446 0.300 1 1230 106 106 PRO CB C 30.724 0.300 1 1231 106 106 PRO CD C 48.083 0.300 1 1232 106 106 PRO CG C 24.888 0.300 1 1233 107 107 SER H H 7.741 0.030 1 1234 107 107 SER HA H 4.404 0.030 1 1235 107 107 SER HB2 H 3.964 0.030 2 1236 107 107 SER HB3 H 4.374 0.030 2 1237 107 107 SER C C 172.169 0.300 1 1238 107 107 SER CA C 54.108 0.300 1 1239 107 107 SER CB C 63.555 0.300 1 1240 107 107 SER N N 114.216 0.300 1 1241 108 108 ALA H H 8.938 0.030 1 1242 108 108 ALA HA H 3.954 0.030 1 1243 108 108 ALA HB H 1.549 0.030 1 1244 108 108 ALA C C 176.236 0.300 1 1245 108 108 ALA CA C 53.622 0.300 1 1246 108 108 ALA CB C 16.334 0.300 1 1247 108 108 ALA N N 122.319 0.300 1 1248 109 109 PHE H H 8.317 0.030 1 1249 109 109 PHE HA H 2.784 0.030 1 1250 109 109 PHE HB2 H 2.338 0.030 1 1251 109 109 PHE HB3 H 2.338 0.030 1 1252 109 109 PHE HD1 H 6.130 0.030 1 1253 109 109 PHE HD2 H 6.130 0.030 1 1254 109 109 PHE HE1 H 6.958 0.030 1 1255 109 109 PHE HE2 H 6.958 0.030 1 1256 109 109 PHE HZ H 6.981 0.030 1 1257 109 109 PHE C C 174.935 0.300 1 1258 109 109 PHE CA C 56.550 0.300 1 1259 109 109 PHE CB C 36.402 0.300 1 1260 109 109 PHE CD1 C 129.287 0.300 1 1261 109 109 PHE CD2 C 129.287 0.300 1 1262 109 109 PHE CE1 C 127.643 0.300 1 1263 109 109 PHE CE2 C 127.643 0.300 1 1264 109 109 PHE CZ C 128.666 0.300 1 1265 109 109 PHE N N 115.658 0.300 1 1266 110 110 PHE H H 8.068 0.030 1 1267 110 110 PHE HA H 3.613 0.030 1 1268 110 110 PHE HB2 H 3.087 0.030 2 1269 110 110 PHE HB3 H 3.235 0.030 2 1270 110 110 PHE HD1 H 6.994 0.030 1 1271 110 110 PHE HD2 H 6.994 0.030 1 1272 110 110 PHE HE1 H 7.201 0.030 1 1273 110 110 PHE HE2 H 7.201 0.030 1 1274 110 110 PHE C C 176.692 0.300 1 1275 110 110 PHE CA C 59.575 0.300 1 1276 110 110 PHE CB C 36.288 0.300 1 1277 110 110 PHE CD1 C 129.508 0.300 1 1278 110 110 PHE CD2 C 129.508 0.300 1 1279 110 110 PHE CE1 C 127.673 0.300 1 1280 110 110 PHE CE2 C 127.673 0.300 1 1281 110 110 PHE N N 122.393 0.300 1 1282 111 111 LEU H H 8.156 0.030 1 1283 111 111 LEU HA H 3.998 0.030 1 1284 111 111 LEU HB2 H 2.411 0.030 2 1285 111 111 LEU HB3 H 1.718 0.030 2 1286 111 111 LEU HD1 H 0.982 0.030 1 1287 111 111 LEU HD2 H 0.930 0.030 1 1288 111 111 LEU HG H 1.937 0.030 1 1289 111 111 LEU C C 177.480 0.300 1 1290 111 111 LEU CA C 55.808 0.300 1 1291 111 111 LEU CB C 39.835 0.300 1 1292 111 111 LEU CD1 C 24.335 0.300 2 1293 111 111 LEU CD2 C 20.033 0.300 2 1294 111 111 LEU CG C 24.357 0.300 1 1295 111 111 LEU N N 120.591 0.300 1 1296 112 112 PHE H H 8.049 0.030 1 1297 112 112 PHE HA H 3.687 0.030 1 1298 112 112 PHE HB2 H 2.592 0.030 2 1299 112 112 PHE HB3 H 1.995 0.030 2 1300 112 112 PHE HD1 H 6.753 0.030 1 1301 112 112 PHE HD2 H 6.753 0.030 1 1302 112 112 PHE HE1 H 7.151 0.030 1 1303 112 112 PHE HE2 H 7.151 0.030 1 1304 112 112 PHE HZ H 6.642 0.030 1 1305 112 112 PHE C C 175.377 0.300 1 1306 112 112 PHE CA C 59.204 0.300 1 1307 112 112 PHE CB C 36.957 0.300 1 1308 112 112 PHE CD1 C 129.876 0.300 1 1309 112 112 PHE CD2 C 129.876 0.300 1 1310 112 112 PHE CE1 C 129.184 0.300 1 1311 112 112 PHE CE2 C 129.184 0.300 1 1312 112 112 PHE CZ C 126.508 0.300 1 1313 112 112 PHE N N 123.556 0.300 1 1314 113 113 CYS H H 8.379 0.030 1 1315 113 113 CYS HA H 3.575 0.030 1 1316 113 113 CYS HB2 H 2.540 0.030 2 1317 113 113 CYS HB3 H 2.036 0.030 2 1318 113 113 CYS C C 173.949 0.300 1 1319 113 113 CYS CA C 61.607 0.300 1 1320 113 113 CYS CB C 24.047 0.300 1 1321 113 113 CYS N N 117.882 0.300 1 1322 114 114 SER H H 8.002 0.030 1 1323 114 114 SER HA H 3.791 0.030 1 1324 114 114 SER HB2 H 3.700 0.030 2 1325 114 114 SER HB3 H 3.779 0.030 2 1326 114 114 SER C C 172.911 0.300 1 1327 114 114 SER CA C 59.098 0.300 1 1328 114 114 SER CB C 60.274 0.300 1 1329 114 114 SER N N 114.570 0.300 1 1330 115 115 GLU H H 7.026 0.030 1 1331 115 115 GLU HA H 3.947 0.030 1 1332 115 115 GLU HB2 H 1.847 0.030 2 1333 115 115 GLU HB3 H 1.942 0.030 2 1334 115 115 GLU HG2 H 1.903 0.030 2 1335 115 115 GLU HG3 H 1.571 0.030 2 1336 115 115 GLU C C 175.652 0.300 1 1337 115 115 GLU CA C 55.758 0.300 1 1338 115 115 GLU CB C 27.518 0.300 1 1339 115 115 GLU CG C 33.085 0.300 1 1340 115 115 GLU N N 118.673 0.300 1 1341 116 116 TYR H H 7.810 0.030 1 1342 116 116 TYR HA H 4.006 0.030 1 1343 116 116 TYR HB2 H 2.489 0.030 2 1344 116 116 TYR HB3 H 1.887 0.030 2 1345 116 116 TYR HD1 H 6.434 0.030 1 1346 116 116 TYR HD2 H 6.434 0.030 1 1347 116 116 TYR HE1 H 6.686 0.030 1 1348 116 116 TYR HE2 H 6.686 0.030 1 1349 116 116 TYR C C 174.591 0.300 1 1350 116 116 TYR CA C 59.529 0.300 1 1351 116 116 TYR CB C 37.267 0.300 1 1352 116 116 TYR CD1 C 130.274 0.300 1 1353 116 116 TYR CD2 C 130.274 0.300 1 1354 116 116 TYR CE1 C 115.853 0.300 1 1355 116 116 TYR CE2 C 115.853 0.300 1 1356 116 116 TYR N N 114.129 0.300 1 1357 117 117 ARG H H 9.107 0.030 1 1358 117 117 ARG HA H 3.800 0.030 1 1359 117 117 ARG HB2 H 1.825 0.030 2 1360 117 117 ARG HB3 H 1.743 0.030 2 1361 117 117 ARG HD2 H 3.061 0.030 2 1362 117 117 ARG HD3 H 3.131 0.030 2 1363 117 117 ARG HE H 7.191 0.030 1 1364 117 117 ARG HG2 H 1.273 0.030 2 1365 117 117 ARG HG3 H 1.408 0.030 2 1366 117 117 ARG C C 171.759 0.300 1 1367 117 117 ARG CA C 60.132 0.300 1 1368 117 117 ARG CB C 24.948 0.300 1 1369 117 117 ARG CD C 40.707 0.300 1 1370 117 117 ARG CG C 26.242 0.300 1 1371 117 117 ARG N N 123.192 0.300 1 1372 117 117 ARG NE N 83.852 0.300 1 1373 118 118 PRO HA H 4.169 0.030 1 1374 118 118 PRO HB2 H 2.187 0.030 2 1375 118 118 PRO HB3 H 1.683 0.030 2 1376 118 118 PRO HD2 H 3.368 0.030 2 1377 118 118 PRO HD3 H 3.390 0.030 2 1378 118 118 PRO HG2 H 1.863 0.030 1 1379 118 118 PRO HG3 H 1.863 0.030 1 1380 118 118 PRO C C 177.510 0.300 1 1381 118 118 PRO CA C 63.229 0.300 1 1382 118 118 PRO CB C 28.496 0.300 1 1383 118 118 PRO CD C 47.975 0.300 1 1384 118 118 PRO CG C 25.952 0.300 1 1385 119 119 LYS H H 6.673 0.030 1 1386 119 119 LYS HA H 4.013 0.030 1 1387 119 119 LYS HB2 H 1.890 0.030 1 1388 119 119 LYS HB3 H 1.890 0.030 1 1389 119 119 LYS HD2 H 1.349 0.030 2 1390 119 119 LYS HD3 H 1.475 0.030 2 1391 119 119 LYS HE2 H 2.725 0.030 1 1392 119 119 LYS HE3 H 2.725 0.030 1 1393 119 119 LYS HG2 H 1.262 0.030 2 1394 119 119 LYS HG3 H 1.382 0.030 2 1395 119 119 LYS C C 176.736 0.300 1 1396 119 119 LYS CA C 56.582 0.300 1 1397 119 119 LYS CB C 30.053 0.300 1 1398 119 119 LYS CD C 27.174 0.300 1 1399 119 119 LYS CE C 39.609 0.300 1 1400 119 119 LYS CG C 22.813 0.300 1 1401 119 119 LYS N N 117.265 0.300 1 1402 120 120 ILE H H 8.061 0.030 1 1403 120 120 ILE HA H 3.919 0.030 1 1404 120 120 ILE HB H 1.882 0.030 1 1405 120 120 ILE HD1 H 0.811 0.030 1 1406 120 120 ILE HG12 H 1.540 0.030 2 1407 120 120 ILE HG13 H 1.351 0.030 2 1408 120 120 ILE HG2 H 0.900 0.030 1 1409 120 120 ILE C C 175.980 0.300 1 1410 120 120 ILE CA C 61.527 0.300 1 1411 120 120 ILE CB C 35.357 0.300 1 1412 120 120 ILE CD1 C 11.035 0.300 1 1413 120 120 ILE CG1 C 25.885 0.300 1 1414 120 120 ILE CG2 C 16.256 0.300 1 1415 120 120 ILE N N 119.259 0.300 1 1416 121 121 LYS H H 8.098 0.030 1 1417 121 121 LYS HA H 3.890 0.030 1 1418 121 121 LYS HB2 H 1.774 0.030 2 1419 121 121 LYS HB3 H 1.596 0.030 2 1420 121 121 LYS HD2 H 1.659 0.030 1 1421 121 121 LYS HD3 H 1.659 0.030 1 1422 121 121 LYS HE2 H 2.898 0.030 1 1423 121 121 LYS HE3 H 2.898 0.030 1 1424 121 121 LYS HG2 H 1.521 0.030 2 1425 121 121 LYS HG3 H 1.415 0.030 2 1426 121 121 LYS C C 176.219 0.300 1 1427 121 121 LYS CA C 56.451 0.300 1 1428 121 121 LYS CB C 29.612 0.300 1 1429 121 121 LYS CD C 26.871 0.300 1 1430 121 121 LYS CE C 39.251 0.300 1 1431 121 121 LYS CG C 22.726 0.300 1 1432 121 121 LYS N N 118.349 0.300 1 1433 122 122 GLY H H 7.573 0.030 1 1434 122 122 GLY HA2 H 3.743 0.030 1 1435 122 122 GLY HA3 H 3.743 0.030 1 1436 122 122 GLY C C 173.007 0.300 1 1437 122 122 GLY CA C 43.909 0.300 1 1438 122 122 GLY N N 103.743 0.300 1 1439 123 123 GLU H H 7.389 0.030 1 1440 123 123 GLU HA H 3.981 0.030 1 1441 123 123 GLU HB2 H 1.811 0.030 2 1442 123 123 GLU HB3 H 1.587 0.030 2 1443 123 123 GLU HG2 H 1.908 0.030 2 1444 123 123 GLU HG3 H 2.239 0.030 2 1445 123 123 GLU C C 174.002 0.300 1 1446 123 123 GLU CA C 55.090 0.300 1 1447 123 123 GLU CB C 28.610 0.300 1 1448 123 123 GLU CG C 34.169 0.300 1 1449 123 123 GLU N N 118.270 0.300 1 1450 124 124 HIS H H 7.761 0.030 1 1451 124 124 HIS HA H 4.966 0.030 1 1452 124 124 HIS HB2 H 3.076 0.030 2 1453 124 124 HIS HB3 H 2.996 0.030 2 1454 124 124 HIS HD2 H 7.151 0.030 1 1455 124 124 HIS HE1 H 8.305 0.030 1 1456 124 124 HIS C C 169.388 0.300 1 1457 124 124 HIS CA C 50.428 0.300 1 1458 124 124 HIS CB C 27.171 0.300 1 1459 124 124 HIS CD2 C 118.475 0.300 1 1460 124 124 HIS CE1 C 134.964 0.300 1 1461 124 124 HIS N N 115.130 0.300 1 1462 125 125 PRO HA H 4.492 0.030 1 1463 125 125 PRO HB2 H 2.287 0.030 2 1464 125 125 PRO HB3 H 1.876 0.030 2 1465 125 125 PRO HD2 H 3.261 0.030 2 1466 125 125 PRO HD3 H 3.514 0.030 2 1467 125 125 PRO HG2 H 1.896 0.030 1 1468 125 125 PRO HG3 H 1.896 0.030 1 1469 125 125 PRO C C 175.711 0.300 1 1470 125 125 PRO CA C 62.094 0.300 1 1471 125 125 PRO CB C 29.556 0.300 1 1472 125 125 PRO CD C 47.884 0.300 1 1473 125 125 PRO CG C 24.923 0.300 1 1474 126 126 GLY H H 8.666 0.030 1 1475 126 126 GLY HA2 H 3.963 0.030 2 1476 126 126 GLY HA3 H 3.718 0.030 2 1477 126 126 GLY C C 172.511 0.300 1 1478 126 126 GLY CA C 42.793 0.300 1 1479 126 126 GLY N N 107.562 0.300 1 1480 127 127 LEU H H 7.300 0.030 1 1481 127 127 LEU HA H 4.340 0.030 1 1482 127 127 LEU HB2 H 1.671 0.030 2 1483 127 127 LEU HB3 H 1.473 0.030 2 1484 127 127 LEU HD1 H 0.706 0.030 1 1485 127 127 LEU HD2 H 0.681 0.030 1 1486 127 127 LEU HG H 1.802 0.030 1 1487 127 127 LEU C C 175.411 0.300 1 1488 127 127 LEU CA C 52.704 0.300 1 1489 127 127 LEU CB C 40.815 0.300 1 1490 127 127 LEU CD1 C 23.374 0.300 2 1491 127 127 LEU CD2 C 20.777 0.300 2 1492 127 127 LEU CG C 24.252 0.300 1 1493 127 127 LEU N N 120.654 0.300 1 1494 128 128 SER H H 9.188 0.030 1 1495 128 128 SER HA H 4.363 0.030 1 1496 128 128 SER HB2 H 4.035 0.030 2 1497 128 128 SER HB3 H 4.231 0.030 2 1498 128 128 SER C C 172.447 0.300 1 1499 128 128 SER CA C 55.059 0.300 1 1500 128 128 SER CB C 62.879 0.300 1 1501 128 128 SER N N 120.533 0.300 1 1502 129 129 ILE H H 8.618 0.030 1 1503 129 129 ILE HA H 3.763 0.030 1 1504 129 129 ILE HB H 1.775 0.030 1 1505 129 129 ILE HD1 H 0.830 0.030 1 1506 129 129 ILE HG12 H 1.571 0.030 2 1507 129 129 ILE HG13 H 1.198 0.030 2 1508 129 129 ILE HG2 H 0.902 0.030 1 1509 129 129 ILE C C 177.012 0.300 1 1510 129 129 ILE CA C 62.523 0.300 1 1511 129 129 ILE CB C 35.720 0.300 1 1512 129 129 ILE CD1 C 10.913 0.300 1 1513 129 129 ILE CG1 C 26.109 0.300 1 1514 129 129 ILE CG2 C 15.042 0.300 1 1515 129 129 ILE N N 120.184 0.300 1 1516 130 130 GLY H H 8.590 0.030 1 1517 130 130 GLY HA2 H 3.828 0.030 1 1518 130 130 GLY HA3 H 3.828 0.030 1 1519 130 130 GLY C C 174.365 0.300 1 1520 130 130 GLY CA C 44.306 0.300 1 1521 130 130 GLY N N 108.955 0.300 1 1522 131 131 ASP H H 7.871 0.030 1 1523 131 131 ASP HA H 4.489 0.030 1 1524 131 131 ASP HB2 H 2.831 0.030 2 1525 131 131 ASP HB3 H 2.481 0.030 2 1526 131 131 ASP C C 177.456 0.300 1 1527 131 131 ASP CA C 54.822 0.300 1 1528 131 131 ASP CB C 38.411 0.300 1 1529 131 131 ASP N N 123.820 0.300 1 1530 132 132 VAL H H 8.485 0.030 1 1531 132 132 VAL HA H 3.362 0.030 1 1532 132 132 VAL HB H 2.159 0.030 1 1533 132 132 VAL HG1 H 0.848 0.030 1 1534 132 132 VAL HG2 H 0.904 0.030 1 1535 132 132 VAL C C 174.799 0.300 1 1536 132 132 VAL CA C 65.069 0.300 1 1537 132 132 VAL CB C 29.334 0.300 1 1538 132 132 VAL CG1 C 19.521 0.300 2 1539 132 132 VAL CG2 C 22.001 0.300 2 1540 132 132 VAL N N 123.170 0.300 1 1541 133 133 ALA H H 7.809 0.030 1 1542 133 133 ALA HA H 4.048 0.030 1 1543 133 133 ALA HB H 1.504 0.030 1 1544 133 133 ALA C C 179.014 0.300 1 1545 133 133 ALA CA C 53.314 0.300 1 1546 133 133 ALA CB C 15.561 0.300 1 1547 133 133 ALA N N 120.787 0.300 1 1548 134 134 LYS H H 7.932 0.030 1 1549 134 134 LYS HA H 3.978 0.030 1 1550 134 134 LYS HB2 H 1.887 0.030 1 1551 134 134 LYS HB3 H 1.887 0.030 1 1552 134 134 LYS HD2 H 1.661 0.030 1 1553 134 134 LYS HD3 H 1.661 0.030 1 1554 134 134 LYS HE2 H 2.907 0.030 1 1555 134 134 LYS HE3 H 2.907 0.030 1 1556 134 134 LYS HG2 H 1.386 0.030 1 1557 134 134 LYS HG3 H 1.386 0.030 1 1558 134 134 LYS C C 177.130 0.300 1 1559 134 134 LYS CA C 57.015 0.300 1 1560 134 134 LYS CB C 30.374 0.300 1 1561 134 134 LYS CD C 27.296 0.300 1 1562 134 134 LYS CE C 39.416 0.300 1 1563 134 134 LYS CG C 22.564 0.300 1 1564 134 134 LYS N N 119.276 0.300 1 1565 135 135 LYS H H 7.940 0.030 1 1566 135 135 LYS HA H 4.100 0.030 1 1567 135 135 LYS HB2 H 1.883 0.030 1 1568 135 135 LYS HB3 H 1.883 0.030 1 1569 135 135 LYS HD2 H 1.520 0.030 1 1570 135 135 LYS HD3 H 1.520 0.030 1 1571 135 135 LYS HE2 H 2.701 0.030 1 1572 135 135 LYS HE3 H 2.701 0.030 1 1573 135 135 LYS HG2 H 1.387 0.030 1 1574 135 135 LYS HG3 H 1.387 0.030 1 1575 135 135 LYS CA C 56.457 0.300 1 1576 135 135 LYS CB C 29.610 0.300 1 1577 135 135 LYS CD C 26.134 0.300 1 1578 135 135 LYS CE C 39.250 0.300 1 1579 135 135 LYS CG C 22.585 0.300 1 1580 135 135 LYS N N 120.668 0.300 1 1581 136 136 LEU H H 8.540 0.030 1 1582 136 136 LEU HA H 4.208 0.030 1 1583 136 136 LEU HB2 H 1.747 0.030 2 1584 136 136 LEU HB3 H 2.049 0.030 2 1585 136 136 LEU HD1 H 0.681 0.030 1 1586 136 136 LEU HD2 H 0.736 0.030 1 1587 136 136 LEU HG H 1.752 0.030 1 1588 136 136 LEU CA C 56.115 0.300 1 1589 136 136 LEU CB C 39.393 0.300 1 1590 136 136 LEU CD1 C 24.316 0.300 2 1591 136 136 LEU CD2 C 22.377 0.300 2 1592 136 136 LEU CG C 24.897 0.300 1 1593 136 136 LEU N N 119.666 0.300 1 1594 137 137 GLY H H 8.104 0.030 1 1595 137 137 GLY HA2 H 3.796 0.030 2 1596 137 137 GLY HA3 H 3.930 0.030 2 1597 137 137 GLY C C 173.816 0.300 1 1598 137 137 GLY CA C 45.362 0.300 1 1599 137 137 GLY N N 105.374 0.300 1 1600 138 138 GLU H H 7.946 0.030 1 1601 138 138 GLU HA H 4.000 0.030 1 1602 138 138 GLU HB2 H 2.040 0.030 2 1603 138 138 GLU HB3 H 2.154 0.030 2 1604 138 138 GLU HG2 H 2.137 0.030 2 1605 138 138 GLU HG3 H 2.324 0.030 2 1606 138 138 GLU C C 176.839 0.300 1 1607 138 138 GLU CA C 56.962 0.300 1 1608 138 138 GLU CB C 27.274 0.300 1 1609 138 138 GLU CG C 33.934 0.300 1 1610 138 138 GLU N N 122.758 0.300 1 1611 139 139 MET H H 8.686 0.030 1 1612 139 139 MET HA H 3.983 0.030 1 1613 139 139 MET HB2 H 2.312 0.030 1 1614 139 139 MET HB3 H 2.312 0.030 1 1615 139 139 MET HE H 1.788 0.030 1 1616 139 139 MET HG2 H 2.492 0.030 2 1617 139 139 MET HG3 H 2.736 0.030 2 1618 139 139 MET C C 177.873 0.300 1 1619 139 139 MET CA C 56.957 0.300 1 1620 139 139 MET CB C 31.711 0.300 1 1621 139 139 MET CE C 14.002 0.300 1 1622 139 139 MET CG C 29.641 0.300 1 1623 139 139 MET N N 118.401 0.300 1 1624 140 140 TRP H H 8.586 0.030 1 1625 140 140 TRP HA H 3.791 0.030 1 1626 140 140 TRP HB2 H 3.063 0.030 1 1627 140 140 TRP HB3 H 3.063 0.030 1 1628 140 140 TRP HD1 H 6.753 0.030 1 1629 140 140 TRP HE1 H 9.970 0.030 1 1630 140 140 TRP HE3 H 5.490 0.030 1 1631 140 140 TRP HH2 H 6.974 0.030 1 1632 140 140 TRP HZ2 H 7.419 0.030 1 1633 140 140 TRP HZ3 H 6.431 0.030 1 1634 140 140 TRP C C 176.076 0.300 1 1635 140 140 TRP CA C 57.227 0.300 1 1636 140 140 TRP CB C 28.376 0.300 1 1637 140 140 TRP CD1 C 125.572 0.300 1 1638 140 140 TRP CE3 C 118.113 0.300 1 1639 140 140 TRP CH2 C 121.306 0.300 1 1640 140 140 TRP CZ2 C 111.595 0.300 1 1641 140 140 TRP CZ3 C 119.413 0.300 1 1642 140 140 TRP N N 122.080 0.300 1 1643 140 140 TRP NE1 N 127.939 0.300 1 1644 141 141 ASN H H 8.037 0.030 1 1645 141 141 ASN HA H 4.179 0.030 1 1646 141 141 ASN HB2 H 2.706 0.030 2 1647 141 141 ASN HB3 H 2.766 0.030 2 1648 141 141 ASN HD21 H 7.469 0.030 2 1649 141 141 ASN HD22 H 6.732 0.030 2 1650 141 141 ASN C C 174.023 0.300 1 1651 141 141 ASN CA C 53.164 0.300 1 1652 141 141 ASN CB C 35.671 0.300 1 1653 141 141 ASN N N 116.776 0.300 1 1654 141 141 ASN ND2 N 112.111 0.300 1 1655 142 142 ASN H H 7.473 0.030 1 1656 142 142 ASN HA H 4.629 0.030 1 1657 142 142 ASN HB2 H 2.903 0.030 2 1658 142 142 ASN HB3 H 2.579 0.030 2 1659 142 142 ASN HD21 H 6.871 0.030 2 1660 142 142 ASN HD22 H 7.510 0.030 2 1661 142 142 ASN C C 172.330 0.300 1 1662 142 142 ASN CA C 50.671 0.300 1 1663 142 142 ASN CB C 36.956 0.300 1 1664 142 142 ASN N N 115.373 0.300 1 1665 142 142 ASN ND2 N 112.695 0.300 1 1666 143 143 THR H H 7.181 0.030 1 1667 143 143 THR HA H 4.011 0.030 1 1668 143 143 THR HB H 3.649 0.030 1 1669 143 143 THR HG2 H 1.092 0.030 1 1670 143 143 THR C C 170.980 0.300 1 1671 143 143 THR CA C 61.450 0.300 1 1672 143 143 THR CB C 66.549 0.300 1 1673 143 143 THR CG2 C 19.160 0.300 1 1674 143 143 THR N N 119.335 0.300 1 1675 144 144 ALA H H 9.110 0.030 1 1676 144 144 ALA HA H 4.039 0.030 1 1677 144 144 ALA HB H 1.444 0.030 1 1678 144 144 ALA C C 176.257 0.300 1 1679 144 144 ALA CA C 49.794 0.300 1 1680 144 144 ALA CB C 16.710 0.300 1 1681 144 144 ALA N N 130.867 0.300 1 1682 145 145 ALA H H 8.725 0.030 1 1683 145 145 ALA HA H 3.701 0.030 1 1684 145 145 ALA HB H 1.344 0.030 1 1685 145 145 ALA C C 178.913 0.300 1 1686 145 145 ALA CA C 53.969 0.300 1 1687 145 145 ALA CB C 15.698 0.300 1 1688 145 145 ALA N N 124.436 0.300 1 1689 146 146 ASP H H 8.857 0.030 1 1690 146 146 ASP HA H 4.301 0.030 1 1691 146 146 ASP HB2 H 2.595 0.030 2 1692 146 146 ASP HB3 H 2.407 0.030 2 1693 146 146 ASP C C 175.480 0.300 1 1694 146 146 ASP CA C 54.843 0.300 1 1695 146 146 ASP CB C 37.677 0.300 1 1696 146 146 ASP N N 115.173 0.300 1 1697 147 147 ASP H H 7.229 0.030 1 1698 147 147 ASP HA H 4.714 0.030 1 1699 147 147 ASP HB2 H 2.678 0.030 2 1700 147 147 ASP HB3 H 2.783 0.030 2 1701 147 147 ASP C C 175.543 0.300 1 1702 147 147 ASP CA C 53.363 0.300 1 1703 147 147 ASP CB C 39.285 0.300 1 1704 147 147 ASP N N 117.401 0.300 1 1705 148 148 LYS H H 7.689 0.030 1 1706 148 148 LYS HA H 4.348 0.030 1 1707 148 148 LYS HB2 H 1.606 0.030 2 1708 148 148 LYS HB3 H 1.670 0.030 2 1709 148 148 LYS HD2 H 0.811 0.030 2 1710 148 148 LYS HD3 H 0.665 0.030 2 1711 148 148 LYS HE2 H 1.285 0.030 2 1712 148 148 LYS HE3 H 1.519 0.030 2 1713 148 148 LYS HG2 H 0.906 0.030 2 1714 148 148 LYS HG3 H -0.280 0.030 2 1715 148 148 LYS C C 176.562 0.300 1 1716 148 148 LYS CA C 56.769 0.300 1 1717 148 148 LYS CB C 31.619 0.300 1 1718 148 148 LYS CD C 27.185 0.300 1 1719 148 148 LYS CE C 39.520 0.300 1 1720 148 148 LYS CG C 24.132 0.300 1 1721 148 148 LYS N N 118.553 0.300 1 1722 149 149 GLN H H 7.326 0.030 1 1723 149 149 GLN HA H 4.278 0.030 1 1724 149 149 GLN HB2 H 2.244 0.030 2 1725 149 149 GLN HB3 H 2.175 0.030 2 1726 149 149 GLN HE21 H 6.821 0.030 2 1727 149 149 GLN HE22 H 7.538 0.030 2 1728 149 149 GLN HG2 H 2.450 0.030 2 1729 149 149 GLN HG3 H 2.575 0.030 2 1730 149 149 GLN C C 171.730 0.300 1 1731 149 149 GLN CA C 58.345 0.300 1 1732 149 149 GLN CB C 24.756 0.300 1 1733 149 149 GLN CG C 31.934 0.300 1 1734 149 149 GLN N N 117.768 0.300 1 1735 149 149 GLN NE2 N 111.520 0.300 1 1736 150 150 PRO HA H 4.171 0.030 1 1737 150 150 PRO HB2 H 2.159 0.030 2 1738 150 150 PRO HB3 H 1.243 0.030 2 1739 150 150 PRO HD2 H 3.603 0.030 2 1740 150 150 PRO HD3 H 3.738 0.030 2 1741 150 150 PRO HG2 H 1.926 0.030 2 1742 150 150 PRO HG3 H 1.999 0.030 2 1743 150 150 PRO C C 177.576 0.300 1 1744 150 150 PRO CA C 64.269 0.300 1 1745 150 150 PRO CB C 28.887 0.300 1 1746 150 150 PRO CD C 47.922 0.300 1 1747 150 150 PRO CG C 26.419 0.300 1 1748 151 151 TYR H H 7.105 0.030 1 1749 151 151 TYR HA H 4.161 0.030 1 1750 151 151 TYR HB2 H 3.426 0.030 2 1751 151 151 TYR HB3 H 3.635 0.030 2 1752 151 151 TYR HD1 H 7.398 0.030 1 1753 151 151 TYR HD2 H 7.398 0.030 1 1754 151 151 TYR HE1 H 7.166 0.030 1 1755 151 151 TYR HE2 H 7.166 0.030 1 1756 151 151 TYR C C 175.657 0.300 1 1757 151 151 TYR CA C 59.201 0.300 1 1758 151 151 TYR CB C 36.038 0.300 1 1759 151 151 TYR CD1 C 130.501 0.300 1 1760 151 151 TYR CD2 C 130.501 0.300 1 1761 151 151 TYR CE1 C 116.506 0.300 1 1762 151 151 TYR CE2 C 116.506 0.300 1 1763 151 151 TYR N N 115.123 0.300 1 1764 152 152 GLU H H 8.046 0.030 1 1765 152 152 GLU HA H 4.192 0.030 1 1766 152 152 GLU HB2 H 2.113 0.030 2 1767 152 152 GLU HB3 H 2.240 0.030 2 1768 152 152 GLU HG2 H 2.425 0.030 2 1769 152 152 GLU HG3 H 2.282 0.030 2 1770 152 152 GLU C C 177.980 0.300 1 1771 152 152 GLU CA C 57.128 0.300 1 1772 152 152 GLU CB C 27.089 0.300 1 1773 152 152 GLU CG C 33.443 0.300 1 1774 152 152 GLU N N 119.248 0.300 1 1775 153 153 LYS H H 9.064 0.030 1 1776 153 153 LYS HA H 4.072 0.030 1 1777 153 153 LYS HB2 H 1.827 0.030 2 1778 153 153 LYS HB3 H 1.790 0.030 2 1779 153 153 LYS HD2 H 1.599 0.030 1 1780 153 153 LYS HD3 H 1.599 0.030 1 1781 153 153 LYS HE2 H 2.895 0.030 1 1782 153 153 LYS HE3 H 2.895 0.030 1 1783 153 153 LYS HG2 H 1.383 0.030 2 1784 153 153 LYS HG3 H 1.559 0.030 2 1785 153 153 LYS C C 177.040 0.300 1 1786 153 153 LYS CA C 57.162 0.300 1 1787 153 153 LYS CB C 30.020 0.300 1 1788 153 153 LYS CD C 26.889 0.300 1 1789 153 153 LYS CE C 39.914 0.300 1 1790 153 153 LYS CG C 23.216 0.300 1 1791 153 153 LYS N N 120.736 0.300 1 1792 154 154 LYS H H 7.585 0.030 1 1793 154 154 LYS HA H 4.039 0.030 1 1794 154 154 LYS HB2 H 1.843 0.030 2 1795 154 154 LYS HB3 H 1.891 0.030 2 1796 154 154 LYS HD2 H 1.630 0.030 1 1797 154 154 LYS HD3 H 1.630 0.030 1 1798 154 154 LYS HE2 H 2.895 0.030 1 1799 154 154 LYS HE3 H 2.895 0.030 1 1800 154 154 LYS HG2 H 1.365 0.030 2 1801 154 154 LYS HG3 H 1.519 0.030 2 1802 154 154 LYS C C 176.495 0.300 1 1803 154 154 LYS CA C 57.164 0.300 1 1804 154 154 LYS CB C 30.231 0.300 1 1805 154 154 LYS CD C 27.203 0.300 1 1806 154 154 LYS CE C 39.582 0.300 1 1807 154 154 LYS CG C 22.979 0.300 1 1808 154 154 LYS N N 120.046 0.300 1 1809 155 155 ALA H H 8.360 0.030 1 1810 155 155 ALA HA H 3.915 0.030 1 1811 155 155 ALA HB H 1.538 0.030 1 1812 155 155 ALA C C 178.219 0.300 1 1813 155 155 ALA CA C 53.493 0.300 1 1814 155 155 ALA CB C 15.478 0.300 1 1815 155 155 ALA N N 120.623 0.300 1 1816 156 156 ALA H H 8.262 0.030 1 1817 156 156 ALA HA H 4.187 0.030 1 1818 156 156 ALA HB H 1.542 0.030 1 1819 156 156 ALA C C 178.388 0.300 1 1820 156 156 ALA CA C 53.075 0.300 1 1821 156 156 ALA CB C 15.621 0.300 1 1822 156 156 ALA N N 121.588 0.300 1 1823 157 157 LYS H H 7.871 0.030 1 1824 157 157 LYS HA H 4.146 0.030 1 1825 157 157 LYS HB2 H 1.924 0.030 2 1826 157 157 LYS HB3 H 1.994 0.030 2 1827 157 157 LYS HD2 H 1.657 0.030 1 1828 157 157 LYS HD3 H 1.657 0.030 1 1829 157 157 LYS HE2 H 2.898 0.030 1 1830 157 157 LYS HE3 H 2.898 0.030 1 1831 157 157 LYS HG2 H 1.477 0.030 2 1832 157 157 LYS HG3 H 1.568 0.030 2 1833 157 157 LYS C C 177.970 0.300 1 1834 157 157 LYS CA C 56.581 0.300 1 1835 157 157 LYS CB C 29.669 0.300 1 1836 157 157 LYS CD C 26.600 0.300 1 1837 157 157 LYS CE C 39.825 0.300 1 1838 157 157 LYS CG C 22.527 0.300 1 1839 157 157 LYS N N 120.227 0.300 1 1840 158 158 LEU H H 8.163 0.030 1 1841 158 158 LEU HA H 4.135 0.030 1 1842 158 158 LEU HB2 H 1.942 0.030 2 1843 158 158 LEU HB3 H 1.402 0.030 2 1844 158 158 LEU HD1 H 0.891 0.030 1 1845 158 158 LEU HD2 H 0.863 0.030 1 1846 158 158 LEU HG H 1.906 0.030 1 1847 158 158 LEU C C 177.882 0.300 1 1848 158 158 LEU CA C 55.368 0.300 1 1849 158 158 LEU CB C 39.362 0.300 1 1850 158 158 LEU CD1 C 24.086 0.300 2 1851 158 158 LEU CD2 C 19.785 0.300 2 1852 158 158 LEU CG C 24.533 0.300 1 1853 158 158 LEU N N 119.597 0.300 1 1854 159 159 LYS H H 8.307 0.030 1 1855 159 159 LYS HA H 3.993 0.030 1 1856 159 159 LYS HB2 H 1.897 0.030 2 1857 159 159 LYS HB3 H 2.055 0.030 2 1858 159 159 LYS HD2 H 1.721 0.030 1 1859 159 159 LYS HD3 H 1.721 0.030 1 1860 159 159 LYS HE2 H 3.004 0.030 1 1861 159 159 LYS HE3 H 3.004 0.030 1 1862 159 159 LYS HG2 H 1.444 0.030 1 1863 159 159 LYS HG3 H 1.444 0.030 1 1864 159 159 LYS C C 175.015 0.300 1 1865 159 159 LYS CA C 57.721 0.300 1 1866 159 159 LYS CB C 29.898 0.300 1 1867 159 159 LYS CD C 27.342 0.300 1 1868 159 159 LYS CE C 40.092 0.300 1 1869 159 159 LYS CG C 22.699 0.300 1 1870 159 159 LYS N N 123.118 0.300 1 1871 160 160 GLU H H 7.977 0.030 1 1872 160 160 GLU HA H 4.049 0.030 1 1873 160 160 GLU HB2 H 2.156 0.030 2 1874 160 160 GLU HB3 H 2.104 0.030 2 1875 160 160 GLU HG2 H 2.414 0.030 2 1876 160 160 GLU HG3 H 2.171 0.030 2 1877 160 160 GLU C C 176.863 0.300 1 1878 160 160 GLU CA C 57.172 0.300 1 1879 160 160 GLU CB C 27.358 0.300 1 1880 160 160 GLU CG C 33.937 0.300 1 1881 160 160 GLU N N 119.563 0.300 1 1882 161 161 LYS H H 7.647 0.030 1 1883 161 161 LYS HA H 4.011 0.030 1 1884 161 161 LYS HB2 H 1.911 0.030 1 1885 161 161 LYS HB3 H 1.911 0.030 1 1886 161 161 LYS HD2 H 1.747 0.030 2 1887 161 161 LYS HD3 H 1.598 0.030 2 1888 161 161 LYS HE2 H 3.002 0.030 1 1889 161 161 LYS HE3 H 3.002 0.030 1 1890 161 161 LYS HG2 H 1.462 0.030 1 1891 161 161 LYS HG3 H 1.462 0.030 1 1892 161 161 LYS C C 175.221 0.300 1 1893 161 161 LYS CA C 56.560 0.300 1 1894 161 161 LYS CB C 30.166 0.300 1 1895 161 161 LYS CD C 26.572 0.300 1 1896 161 161 LYS CE C 40.080 0.300 1 1897 161 161 LYS CG C 22.481 0.300 1 1898 161 161 LYS N N 119.209 0.300 1 1899 162 162 TYR H H 8.003 0.030 1 1900 162 162 TYR HA H 4.335 0.030 1 1901 162 162 TYR HB2 H 3.162 0.030 2 1902 162 162 TYR HB3 H 3.106 0.030 2 1903 162 162 TYR HD1 H 6.987 0.030 1 1904 162 162 TYR HD2 H 6.987 0.030 1 1905 162 162 TYR HE1 H 6.513 0.030 1 1906 162 162 TYR HE2 H 6.513 0.030 1 1907 162 162 TYR CA C 58.907 0.300 1 1908 162 162 TYR CB C 36.082 0.300 1 1909 162 162 TYR CD1 C 131.373 0.300 1 1910 162 162 TYR CD2 C 131.373 0.300 1 1911 162 162 TYR CE1 C 115.496 0.300 1 1912 162 162 TYR CE2 C 115.496 0.300 1 1913 162 162 TYR N N 119.953 0.300 1 1914 163 163 GLU H H 8.386 0.030 1 1915 163 163 GLU HA H 3.679 0.030 1 1916 163 163 GLU HB2 H 1.949 0.030 2 1917 163 163 GLU HB3 H 2.082 0.030 2 1918 163 163 GLU HG2 H 2.609 0.030 2 1919 163 163 GLU HG3 H 2.340 0.030 2 1920 163 163 GLU CA C 57.011 0.300 1 1921 163 163 GLU CB C 26.790 0.300 1 1922 163 163 GLU CG C 34.661 0.300 1 1923 163 163 GLU N N 117.040 0.300 1 1924 164 164 LYS H H 7.602 0.030 1 1925 164 164 LYS HA H 4.034 0.030 1 1926 164 164 LYS HB2 H 1.897 0.030 2 1927 164 164 LYS HB3 H 1.945 0.030 2 1928 164 164 LYS HD2 H 1.617 0.030 1 1929 164 164 LYS HD3 H 1.617 0.030 1 1930 164 164 LYS HE2 H 2.895 0.030 1 1931 164 164 LYS HE3 H 2.895 0.030 1 1932 164 164 LYS HG2 H 1.394 0.030 2 1933 164 164 LYS HG3 H 1.564 0.030 2 1934 164 164 LYS CA C 57.035 0.300 1 1935 164 164 LYS CB C 30.006 0.300 1 1936 164 164 LYS CD C 26.983 0.300 1 1937 164 164 LYS CE C 39.914 0.300 1 1938 164 164 LYS CG C 22.928 0.300 1 1939 164 164 LYS N N 119.997 0.300 1 1940 165 165 ASP H H 8.725 0.030 1 1941 165 165 ASP HA H 4.353 0.030 1 1942 165 165 ASP HB2 H 2.738 0.030 2 1943 165 165 ASP HB3 H 2.390 0.030 2 1944 165 165 ASP C C 177.767 0.300 1 1945 165 165 ASP CA C 54.924 0.300 1 1946 165 165 ASP CB C 37.441 0.300 1 1947 165 165 ASP N N 122.458 0.300 1 1948 166 166 ILE H H 8.937 0.030 1 1949 166 166 ILE HA H 3.901 0.030 1 1950 166 166 ILE HB H 1.371 0.030 1 1951 166 166 ILE HD1 H 0.639 0.030 1 1952 166 166 ILE HG12 H 1.016 0.030 1 1953 166 166 ILE HG13 H 1.016 0.030 1 1954 166 166 ILE HG2 H 0.649 0.030 1 1955 166 166 ILE C C 174.980 0.300 1 1956 166 166 ILE CA C 59.768 0.300 1 1957 166 166 ILE CB C 34.733 0.300 1 1958 166 166 ILE CD1 C 10.426 0.300 1 1959 166 166 ILE CG1 C 25.603 0.300 1 1960 166 166 ILE CG2 C 15.931 0.300 1 1961 166 166 ILE N N 121.337 0.300 1 1962 167 167 ALA H H 7.245 0.030 1 1963 167 167 ALA HA H 4.057 0.030 1 1964 167 167 ALA HB H 1.421 0.030 1 1965 167 167 ALA C C 177.718 0.300 1 1966 167 167 ALA CA C 52.468 0.300 1 1967 167 167 ALA CB C 15.587 0.300 1 1968 167 167 ALA N N 124.040 0.300 1 1969 168 168 ALA H H 7.585 0.030 1 1970 168 168 ALA HA H 4.131 0.030 1 1971 168 168 ALA HB H 1.409 0.030 1 1972 168 168 ALA C C 176.870 0.300 1 1973 168 168 ALA CA C 51.661 0.300 1 1974 168 168 ALA CB C 16.174 0.300 1 1975 168 168 ALA N N 119.443 0.300 1 1976 169 169 TYR H H 7.926 0.030 1 1977 169 169 TYR HA H 4.180 0.030 1 1978 169 169 TYR HB2 H 2.985 0.030 2 1979 169 169 TYR HB3 H 3.075 0.030 2 1980 169 169 TYR HD1 H 7.008 0.030 1 1981 169 169 TYR HD2 H 7.008 0.030 1 1982 169 169 TYR HE1 H 6.691 0.030 1 1983 169 169 TYR HE2 H 6.691 0.030 1 1984 169 169 TYR C C 174.938 0.300 1 1985 169 169 TYR CA C 58.036 0.300 1 1986 169 169 TYR CB C 36.611 0.300 1 1987 169 169 TYR CD1 C 130.660 0.300 1 1988 169 169 TYR CD2 C 130.660 0.300 1 1989 169 169 TYR CE1 C 115.950 0.300 1 1990 169 169 TYR CE2 C 115.950 0.300 1 1991 169 169 TYR N N 119.557 0.300 1 1992 170 170 ARG H H 8.035 0.030 1 1993 170 170 ARG HA H 3.981 0.030 1 1994 170 170 ARG HB2 H 1.699 0.030 2 1995 170 170 ARG HB3 H 1.785 0.030 2 1996 170 170 ARG HD2 H 3.093 0.030 2 1997 170 170 ARG HD3 H 3.070 0.030 2 1998 170 170 ARG HG2 H 1.592 0.030 2 1999 170 170 ARG HG3 H 1.722 0.030 2 2000 170 170 ARG C C 174.310 0.300 1 2001 170 170 ARG CA C 54.695 0.300 1 2002 170 170 ARG CB C 28.220 0.300 1 2003 170 170 ARG CD C 41.121 0.300 1 2004 170 170 ARG CG C 25.356 0.300 1 2005 170 170 ARG N N 119.552 0.300 1 2006 171 171 ALA H H 7.575 0.030 1 2007 171 171 ALA HA H 4.127 0.030 1 2008 171 171 ALA HB H 1.356 0.030 1 2009 171 171 ALA C C 175.500 0.300 1 2010 171 171 ALA CA C 50.649 0.300 1 2011 171 171 ALA CB C 16.530 0.300 1 2012 171 171 ALA N N 122.028 0.300 1 2013 172 172 LYS H H 7.718 0.030 1 2014 172 172 LYS HA H 4.157 0.030 1 2015 172 172 LYS HB2 H 1.678 0.030 2 2016 172 172 LYS HB3 H 1.769 0.030 2 2017 172 172 LYS HD2 H 1.565 0.030 1 2018 172 172 LYS HD3 H 1.565 0.030 1 2019 172 172 LYS HE2 H 2.870 0.030 1 2020 172 172 LYS HE3 H 2.870 0.030 1 2021 172 172 LYS HG2 H 1.340 0.030 2 2022 172 172 LYS HG3 H 1.392 0.030 2 2023 172 172 LYS C C 173.865 0.300 1 2024 172 172 LYS CA C 54.340 0.300 1 2025 172 172 LYS CB C 30.584 0.300 1 2026 172 172 LYS CD C 26.828 0.300 1 2027 172 172 LYS CE C 39.748 0.300 1 2028 172 172 LYS CG C 22.372 0.300 1 2029 172 172 LYS N N 118.912 0.300 1 2030 173 173 GLY H H 7.713 0.030 1 2031 173 173 GLY HA2 H 3.623 0.030 1 2032 173 173 GLY HA3 H 3.623 0.030 1 2033 173 173 GLY C C 176.583 0.300 1 2034 173 173 GLY CA C 43.809 0.300 1 2035 173 173 GLY N N 114.977 0.300 1 stop_ save_