data_11090 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal PapD-like domain of HYDIN protein from human ; _BMRB_accession_number 11090 _BMRB_flat_file_name bmr11090.str _Entry_type original _Submission_date 2010-01-18 _Accession_date 2010-01-19 _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 Li H. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 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" 700 "13C chemical shifts" 521 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-19 original author . stop_ _Original_release_date 2011-01-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the N-terminal PapD-like domain of HYDIN protein from human ; _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 Li H. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 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 'Hydrocephalus-inducing protein homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PapD-like, UNP residues 182-296' $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 'PapD-like, UNP residues 182-296' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GSSGSSGTEREKFIVPIKAR GARAILDFPDKLNFSTCPVK YSTQKILLVRNIGNKNAVFH IKTCRPFSIEPAIGTLNVGE SMQLEVEFEPQSVGDHSGRL IVCYDTGEKVFVSLYGAAID MN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLU 10 ARG 11 GLU 12 LYS 13 PHE 14 ILE 15 VAL 16 PRO 17 ILE 18 LYS 19 ALA 20 ARG 21 GLY 22 ALA 23 ARG 24 ALA 25 ILE 26 LEU 27 ASP 28 PHE 29 PRO 30 ASP 31 LYS 32 LEU 33 ASN 34 PHE 35 SER 36 THR 37 CYS 38 PRO 39 VAL 40 LYS 41 TYR 42 SER 43 THR 44 GLN 45 LYS 46 ILE 47 LEU 48 LEU 49 VAL 50 ARG 51 ASN 52 ILE 53 GLY 54 ASN 55 LYS 56 ASN 57 ALA 58 VAL 59 PHE 60 HIS 61 ILE 62 LYS 63 THR 64 CYS 65 ARG 66 PRO 67 PHE 68 SER 69 ILE 70 GLU 71 PRO 72 ALA 73 ILE 74 GLY 75 THR 76 LEU 77 ASN 78 VAL 79 GLY 80 GLU 81 SER 82 MET 83 GLN 84 LEU 85 GLU 86 VAL 87 GLU 88 PHE 89 GLU 90 PRO 91 GLN 92 SER 93 VAL 94 GLY 95 ASP 96 HIS 97 SER 98 GLY 99 ARG 100 LEU 101 ILE 102 VAL 103 CYS 104 TYR 105 ASP 106 THR 107 GLY 108 GLU 109 LYS 110 VAL 111 PHE 112 VAL 113 SER 114 LEU 115 TYR 116 GLY 117 ALA 118 ALA 119 ILE 120 ASP 121 MET 122 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2YS4 "Solution Structure Of The N-Terminal Papd-Like Domain Of Hydin Protein From Human" 100.00 122 100.00 100.00 1.83e-83 DBJ BAB14314 "unnamed protein product [Homo sapiens]" 94.26 1017 100.00 100.00 5.02e-71 DBJ BAG61096 "unnamed protein product [Homo sapiens]" 94.26 940 100.00 100.00 3.34e-71 DBJ BAG61346 "unnamed protein product [Homo sapiens]" 94.26 950 100.00 100.00 3.92e-71 EMBL CAD38687 "hypothetical protein [Homo sapiens]" 68.85 528 100.00 100.00 3.09e-49 GB AAH28351 "HYDIN protein, partial [Homo sapiens]" 94.26 729 100.00 100.00 6.17e-72 GB AIC60203 "HYDIN, partial [synthetic construct]" 94.26 708 100.00 100.00 3.41e-72 REF NP_001185471 "hydrocephalus-inducing protein homolog isoform c [Homo sapiens]" 94.26 950 100.00 100.00 3.92e-71 REF NP_001185472 "hydrocephalus-inducing protein homolog isoform d [Homo sapiens]" 94.26 940 100.00 100.00 3.34e-71 REF NP_001257903 "hydrocephalus-inducing protein homolog isoform a [Homo sapiens]" 94.26 5121 100.00 100.00 4.94e-70 REF NP_060028 "hydrocephalus-inducing protein homolog isoform b [Homo sapiens]" 94.26 1017 100.00 100.00 4.17e-71 REF XP_004057985 "PREDICTED: hydrocephalus-inducing protein homolog, partial [Gorilla gorilla gorilla]" 94.26 4296 98.26 100.00 8.09e-70 SP Q4G0P3 "RecName: Full=Hydrocephalus-inducing protein homolog" 94.26 5121 100.00 100.00 4.94e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'Cell free synthesis' 'E. coli' Escherichia coli . P060327-16 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.19mM sample PapD-like domain [U-15N,13C], 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.19 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_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 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PapD-like, UNP residues 182-296' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.513 0.030 1 2 6 6 SER HB2 H 3.920 0.030 1 3 6 6 SER HB3 H 3.920 0.030 1 4 6 6 SER C C 175.126 0.300 1 5 6 6 SER CA C 58.653 0.300 1 6 6 6 SER CB C 63.760 0.300 1 7 7 7 GLY H H 8.505 0.030 1 8 7 7 GLY HA2 H 4.057 0.030 1 9 7 7 GLY HA3 H 4.057 0.030 1 10 7 7 GLY C C 174.646 0.300 1 11 7 7 GLY CA C 45.541 0.300 1 12 7 7 GLY N N 110.986 0.300 1 13 8 8 THR H H 8.089 0.030 1 14 8 8 THR HA H 4.349 0.030 1 15 8 8 THR HB H 4.264 0.030 1 16 8 8 THR HG2 H 1.191 0.030 1 17 8 8 THR C C 174.956 0.300 1 18 8 8 THR CA C 62.113 0.300 1 19 8 8 THR CB C 69.817 0.300 1 20 8 8 THR CG2 C 21.654 0.300 1 21 8 8 THR N N 113.187 0.300 1 22 9 9 GLU H H 8.572 0.030 1 23 9 9 GLU HA H 4.265 0.030 1 24 9 9 GLU HB2 H 2.063 0.030 2 25 9 9 GLU HB3 H 1.982 0.030 2 26 9 9 GLU HG2 H 2.296 0.030 2 27 9 9 GLU HG3 H 2.270 0.030 2 28 9 9 GLU C C 176.741 0.300 1 29 9 9 GLU CA C 57.125 0.300 1 30 9 9 GLU CB C 29.874 0.300 1 31 9 9 GLU CG C 36.454 0.300 1 32 9 9 GLU N N 123.293 0.300 1 33 10 10 ARG H H 8.288 0.030 1 34 10 10 ARG HA H 4.284 0.030 1 35 10 10 ARG HB2 H 1.781 0.030 2 36 10 10 ARG HB3 H 1.869 0.030 2 37 10 10 ARG HD2 H 3.200 0.030 1 38 10 10 ARG HD3 H 3.200 0.030 1 39 10 10 ARG HG2 H 1.639 0.030 1 40 10 10 ARG HG3 H 1.639 0.030 1 41 10 10 ARG C C 176.579 0.300 1 42 10 10 ARG CA C 56.317 0.300 1 43 10 10 ARG CB C 30.911 0.300 1 44 10 10 ARG CD C 43.375 0.300 1 45 10 10 ARG CG C 27.077 0.300 1 46 10 10 ARG N N 121.374 0.300 1 47 11 11 GLU H H 8.355 0.030 1 48 11 11 GLU HA H 4.180 0.030 1 49 11 11 GLU HB2 H 1.973 0.030 2 50 11 11 GLU HB3 H 1.930 0.030 2 51 11 11 GLU HG2 H 2.222 0.030 1 52 11 11 GLU HG3 H 2.222 0.030 1 53 11 11 GLU C C 176.343 0.300 1 54 11 11 GLU CA C 56.888 0.300 1 55 11 11 GLU CB C 29.997 0.300 1 56 11 11 GLU CG C 36.371 0.300 1 57 11 11 GLU N N 121.298 0.300 1 58 12 12 LYS H H 8.162 0.030 1 59 12 12 LYS HA H 4.220 0.030 1 60 12 12 LYS HB2 H 1.669 0.030 1 61 12 12 LYS HB3 H 1.669 0.030 1 62 12 12 LYS HD2 H 1.622 0.030 1 63 12 12 LYS HD3 H 1.622 0.030 1 64 12 12 LYS HE2 H 2.956 0.030 1 65 12 12 LYS HE3 H 2.956 0.030 1 66 12 12 LYS HG2 H 1.279 0.030 2 67 12 12 LYS HG3 H 1.348 0.030 2 68 12 12 LYS C C 176.153 0.300 1 69 12 12 LYS CA C 56.430 0.300 1 70 12 12 LYS CB C 33.070 0.300 1 71 12 12 LYS CD C 29.114 0.300 1 72 12 12 LYS CE C 42.046 0.300 1 73 12 12 LYS CG C 24.732 0.300 1 74 12 12 LYS N N 121.510 0.300 1 75 13 13 PHE H H 8.120 0.030 1 76 13 13 PHE HA H 4.642 0.030 1 77 13 13 PHE HB2 H 3.111 0.030 2 78 13 13 PHE HB3 H 2.990 0.030 2 79 13 13 PHE HD1 H 7.223 0.030 1 80 13 13 PHE HD2 H 7.223 0.030 1 81 13 13 PHE C C 175.170 0.300 1 82 13 13 PHE CA C 57.436 0.300 1 83 13 13 PHE CB C 39.619 0.300 1 84 13 13 PHE CD1 C 131.852 0.300 1 85 13 13 PHE CD2 C 131.852 0.300 1 86 13 13 PHE N N 120.891 0.300 1 87 14 14 ILE H H 8.050 0.030 1 88 14 14 ILE HA H 4.129 0.030 1 89 14 14 ILE HB H 1.770 0.030 1 90 14 14 ILE HD1 H 0.824 0.030 1 91 14 14 ILE HG12 H 1.134 0.030 2 92 14 14 ILE HG13 H 1.443 0.030 2 93 14 14 ILE HG2 H 0.819 0.030 1 94 14 14 ILE C C 175.550 0.300 1 95 14 14 ILE CA C 60.648 0.300 1 96 14 14 ILE CB C 38.716 0.300 1 97 14 14 ILE CD1 C 12.700 0.300 1 98 14 14 ILE CG1 C 27.221 0.300 1 99 14 14 ILE CG2 C 17.414 0.300 1 100 14 14 ILE N N 123.756 0.300 1 101 15 15 VAL H H 8.191 0.030 1 102 15 15 VAL HA H 4.320 0.030 1 103 15 15 VAL HB H 2.047 0.030 1 104 15 15 VAL HG1 H 0.980 0.030 1 105 15 15 VAL HG2 H 0.980 0.030 1 106 15 15 VAL C C 174.344 0.300 1 107 15 15 VAL CA C 60.030 0.300 1 108 15 15 VAL CB C 32.593 0.300 1 109 15 15 VAL CG1 C 20.919 0.300 2 110 15 15 VAL CG2 C 20.919 0.300 2 111 15 15 VAL N N 126.773 0.300 1 112 16 16 PRO HA H 4.410 0.030 1 113 16 16 PRO HB2 H 2.280 0.030 2 114 16 16 PRO HB3 H 1.871 0.030 2 115 16 16 PRO HD2 H 3.710 0.030 2 116 16 16 PRO HD3 H 3.919 0.030 2 117 16 16 PRO HG2 H 2.051 0.030 2 118 16 16 PRO HG3 H 1.990 0.030 2 119 16 16 PRO C C 176.885 0.300 1 120 16 16 PRO CA C 63.065 0.300 1 121 16 16 PRO CB C 32.188 0.300 1 122 16 16 PRO CD C 51.105 0.300 1 123 16 16 PRO CG C 27.470 0.300 1 124 17 17 ILE H H 8.200 0.030 1 125 17 17 ILE HA H 4.064 0.030 1 126 17 17 ILE HB H 1.820 0.030 1 127 17 17 ILE HD1 H 0.870 0.030 1 128 17 17 ILE HG12 H 1.208 0.030 2 129 17 17 ILE HG13 H 1.508 0.030 2 130 17 17 ILE HG2 H 0.910 0.030 1 131 17 17 ILE C C 176.682 0.300 1 132 17 17 ILE CA C 61.582 0.300 1 133 17 17 ILE CB C 38.755 0.300 1 134 17 17 ILE CD1 C 13.001 0.300 1 135 17 17 ILE CG1 C 27.653 0.300 1 136 17 17 ILE CG2 C 17.535 0.300 1 137 17 17 ILE N N 121.532 0.300 1 138 18 18 LYS H H 8.355 0.030 1 139 18 18 LYS HA H 4.289 0.030 1 140 18 18 LYS HB2 H 1.740 0.030 2 141 18 18 LYS HB3 H 1.811 0.030 2 142 18 18 LYS HD2 H 1.679 0.030 1 143 18 18 LYS HD3 H 1.679 0.030 1 144 18 18 LYS HE2 H 2.991 0.030 1 145 18 18 LYS HE3 H 2.991 0.030 1 146 18 18 LYS HG2 H 1.449 0.030 2 147 18 18 LYS HG3 H 1.400 0.030 2 148 18 18 LYS C C 176.178 0.300 1 149 18 18 LYS CA C 56.364 0.300 1 150 18 18 LYS CB C 32.960 0.300 1 151 18 18 LYS CD C 29.216 0.300 1 152 18 18 LYS CE C 42.129 0.300 1 153 18 18 LYS CG C 24.857 0.300 1 154 18 18 LYS N N 125.057 0.300 1 155 19 19 ALA H H 8.257 0.030 1 156 19 19 ALA HA H 4.302 0.030 1 157 19 19 ALA HB H 1.381 0.030 1 158 19 19 ALA C C 177.652 0.300 1 159 19 19 ALA CA C 52.450 0.300 1 160 19 19 ALA CB C 19.264 0.300 1 161 19 19 ALA N N 125.403 0.300 1 162 20 20 ARG H H 8.292 0.030 1 163 20 20 ARG HA H 4.289 0.030 1 164 20 20 ARG HB2 H 1.871 0.030 2 165 20 20 ARG HB3 H 1.780 0.030 2 166 20 20 ARG HD2 H 3.200 0.030 1 167 20 20 ARG HD3 H 3.200 0.030 1 168 20 20 ARG HG2 H 1.698 0.030 2 169 20 20 ARG HG3 H 1.631 0.030 2 170 20 20 ARG C C 176.833 0.300 1 171 20 20 ARG CA C 56.341 0.300 1 172 20 20 ARG CB C 30.891 0.300 1 173 20 20 ARG CD C 43.459 0.300 1 174 20 20 ARG CG C 27.160 0.300 1 175 20 20 ARG N N 120.596 0.300 1 176 21 21 GLY H H 8.350 0.030 1 177 21 21 GLY HA2 H 3.931 0.030 1 178 21 21 GLY HA3 H 3.931 0.030 1 179 21 21 GLY C C 173.562 0.300 1 180 21 21 GLY CA C 45.065 0.300 1 181 21 21 GLY N N 109.809 0.300 1 182 22 22 ALA H H 8.161 0.030 1 183 22 22 ALA HA H 4.440 0.030 1 184 22 22 ALA HB H 1.271 0.030 1 185 22 22 ALA C C 177.073 0.300 1 186 22 22 ALA CA C 52.194 0.300 1 187 22 22 ALA CB C 19.264 0.300 1 188 22 22 ALA N N 124.471 0.300 1 189 23 23 ARG H H 8.608 0.030 1 190 23 23 ARG HA H 4.419 0.030 1 191 23 23 ARG HB2 H 1.690 0.030 2 192 23 23 ARG HB3 H 1.819 0.030 2 193 23 23 ARG HD2 H 3.143 0.030 1 194 23 23 ARG HD3 H 3.143 0.030 1 195 23 23 ARG HG2 H 1.590 0.030 2 196 23 23 ARG HG3 H 1.499 0.030 2 197 23 23 ARG C C 175.047 0.300 1 198 23 23 ARG CA C 55.353 0.300 1 199 23 23 ARG CB C 32.597 0.300 1 200 23 23 ARG CD C 43.618 0.300 1 201 23 23 ARG CG C 26.337 0.300 1 202 23 23 ARG N N 119.574 0.300 1 203 24 24 ALA H H 8.649 0.030 1 204 24 24 ALA HA H 4.351 0.030 1 205 24 24 ALA HB H 1.070 0.030 1 206 24 24 ALA C C 176.437 0.300 1 207 24 24 ALA CA C 52.265 0.300 1 208 24 24 ALA CB C 19.644 0.300 1 209 24 24 ALA N N 126.475 0.300 1 210 25 25 ILE H H 7.197 0.030 1 211 25 25 ILE HA H 4.010 0.030 1 212 25 25 ILE HB H 1.448 0.030 1 213 25 25 ILE HD1 H 0.719 0.030 1 214 25 25 ILE HG12 H 1.348 0.030 2 215 25 25 ILE HG13 H 0.829 0.030 2 216 25 25 ILE HG2 H 0.701 0.030 1 217 25 25 ILE C C 174.150 0.300 1 218 25 25 ILE CA C 61.971 0.300 1 219 25 25 ILE CB C 41.107 0.300 1 220 25 25 ILE CD1 C 13.572 0.300 1 221 25 25 ILE CG1 C 26.955 0.300 1 222 25 25 ILE CG2 C 17.312 0.300 1 223 25 25 ILE N N 118.962 0.300 1 224 26 26 LEU H H 8.000 0.030 1 225 26 26 LEU HA H 5.270 0.030 1 226 26 26 LEU HB2 H 1.728 0.030 2 227 26 26 LEU HB3 H 0.849 0.030 2 228 26 26 LEU HD1 H 0.483 0.030 1 229 26 26 LEU HD2 H 0.485 0.030 1 230 26 26 LEU HG H 1.462 0.030 1 231 26 26 LEU C C 178.027 0.300 1 232 26 26 LEU CA C 53.006 0.300 1 233 26 26 LEU CB C 42.293 0.300 1 234 26 26 LEU CD1 C 24.883 0.300 2 235 26 26 LEU CD2 C 23.704 0.300 2 236 26 26 LEU CG C 29.242 0.300 1 237 27 27 ASP H H 8.498 0.030 1 238 27 27 ASP HA H 4.550 0.030 1 239 27 27 ASP HB2 H 2.789 0.030 2 240 27 27 ASP HB3 H 2.290 0.030 2 241 27 27 ASP C C 177.080 0.300 1 242 27 27 ASP CA C 53.553 0.300 1 243 27 27 ASP CB C 38.921 0.300 1 244 27 27 ASP N N 126.746 0.300 1 245 28 28 PHE H H 7.519 0.030 1 246 28 28 PHE HA H 4.203 0.030 1 247 28 28 PHE HB2 H 3.041 0.030 2 248 28 28 PHE HB3 H 2.543 0.030 2 249 28 28 PHE HD1 H 6.910 0.030 1 250 28 28 PHE HD2 H 6.910 0.030 1 251 28 28 PHE HE1 H 6.844 0.030 1 252 28 28 PHE HE2 H 6.844 0.030 1 253 28 28 PHE HZ H 6.432 0.030 1 254 28 28 PHE C C 174.514 0.300 1 255 28 28 PHE CA C 58.291 0.300 1 256 28 28 PHE CB C 39.413 0.300 1 257 28 28 PHE CD1 C 131.123 0.300 1 258 28 28 PHE CD2 C 131.123 0.300 1 259 28 28 PHE CE1 C 131.659 0.300 1 260 28 28 PHE CE2 C 131.659 0.300 1 261 28 28 PHE CZ C 128.909 0.300 1 262 28 28 PHE N N 119.825 0.300 1 263 29 29 PRO HA H 4.754 0.030 1 264 29 29 PRO HB2 H 2.401 0.030 2 265 29 29 PRO HB3 H 2.210 0.030 2 266 29 29 PRO HD2 H 3.500 0.030 2 267 29 29 PRO HD3 H 4.010 0.030 2 268 29 29 PRO HG2 H 1.751 0.030 2 269 29 29 PRO HG3 H 2.112 0.030 2 270 29 29 PRO C C 175.092 0.300 1 271 29 29 PRO CA C 62.112 0.300 1 272 29 29 PRO CB C 32.249 0.300 1 273 29 29 PRO CD C 49.629 0.300 1 274 29 29 PRO CG C 26.464 0.300 1 275 30 30 ASP H H 8.549 0.030 1 276 30 30 ASP HA H 4.580 0.030 1 277 30 30 ASP HB2 H 2.768 0.030 2 278 30 30 ASP HB3 H 2.747 0.030 2 279 30 30 ASP C C 176.850 0.300 1 280 30 30 ASP CA C 56.165 0.300 1 281 30 30 ASP CB C 40.854 0.300 1 282 30 30 ASP N N 116.326 0.300 1 283 31 31 LYS H H 7.621 0.030 1 284 31 31 LYS HA H 5.400 0.030 1 285 31 31 LYS HB2 H 1.840 0.030 2 286 31 31 LYS HB3 H 1.640 0.030 2 287 31 31 LYS HD2 H 1.623 0.030 1 288 31 31 LYS HD3 H 1.623 0.030 1 289 31 31 LYS HE2 H 2.954 0.030 1 290 31 31 LYS HE3 H 2.954 0.030 1 291 31 31 LYS HG2 H 1.208 0.030 2 292 31 31 LYS HG3 H 1.383 0.030 2 293 31 31 LYS C C 173.862 0.300 1 294 31 31 LYS CA C 54.047 0.300 1 295 31 31 LYS CB C 36.282 0.300 1 296 31 31 LYS CD C 29.847 0.300 1 297 31 31 LYS CE C 42.129 0.300 1 298 31 31 LYS CG C 23.614 0.300 1 299 31 31 LYS N N 115.769 0.300 1 300 32 32 LEU H H 8.640 0.030 1 301 32 32 LEU HA H 4.393 0.030 1 302 32 32 LEU HB2 H 1.178 0.030 2 303 32 32 LEU HB3 H 1.271 0.030 2 304 32 32 LEU HD1 H 0.597 0.030 1 305 32 32 LEU HD2 H 0.677 0.030 1 306 32 32 LEU HG H 1.131 0.030 1 307 32 32 LEU C C 173.520 0.300 1 308 32 32 LEU CA C 54.526 0.300 1 309 32 32 LEU CB C 45.445 0.300 1 310 32 32 LEU CD1 C 25.173 0.300 2 311 32 32 LEU CD2 C 24.838 0.300 2 312 32 32 LEU CG C 26.946 0.300 1 313 32 32 LEU N N 121.579 0.300 1 314 33 33 ASN H H 8.700 0.030 1 315 33 33 ASN HA H 5.399 0.030 1 316 33 33 ASN HB2 H 2.890 0.030 2 317 33 33 ASN HB3 H 2.519 0.030 2 318 33 33 ASN HD21 H 6.790 0.030 2 319 33 33 ASN HD22 H 7.588 0.030 2 320 33 33 ASN C C 175.497 0.300 1 321 33 33 ASN CA C 51.489 0.300 1 322 33 33 ASN CB C 40.401 0.300 1 323 33 33 ASN N N 122.982 0.300 1 324 33 33 ASN ND2 N 112.009 0.300 1 325 34 34 PHE H H 9.631 0.030 1 326 34 34 PHE HA H 4.090 0.030 1 327 34 34 PHE HB2 H 3.369 0.030 2 328 34 34 PHE HB3 H 2.781 0.030 2 329 34 34 PHE HD1 H 7.288 0.030 1 330 34 34 PHE HD2 H 7.288 0.030 1 331 34 34 PHE HE1 H 7.181 0.030 1 332 34 34 PHE HE2 H 7.181 0.030 1 333 34 34 PHE HZ H 7.076 0.030 1 334 34 34 PHE C C 175.558 0.300 1 335 34 34 PHE CA C 59.482 0.300 1 336 34 34 PHE CB C 40.176 0.300 1 337 34 34 PHE CD1 C 131.651 0.300 1 338 34 34 PHE CD2 C 131.651 0.300 1 339 34 34 PHE CE1 C 131.525 0.300 1 340 34 34 PHE CE2 C 131.525 0.300 1 341 34 34 PHE CZ C 128.759 0.300 1 342 34 34 PHE N N 124.038 0.300 1 343 35 35 SER H H 8.820 0.030 1 344 35 35 SER HA H 4.140 0.030 1 345 35 35 SER HB2 H 4.339 0.030 2 346 35 35 SER HB3 H 3.911 0.030 2 347 35 35 SER C C 173.535 0.300 1 348 35 35 SER CA C 58.477 0.300 1 349 35 35 SER CB C 62.786 0.300 1 350 35 35 SER N N 114.893 0.300 1 351 36 36 THR H H 8.261 0.030 1 352 36 36 THR HA H 4.769 0.030 1 353 36 36 THR HB H 4.058 0.030 1 354 36 36 THR HG2 H 1.172 0.030 1 355 36 36 THR C C 175.049 0.300 1 356 36 36 THR CA C 63.223 0.300 1 357 36 36 THR CB C 69.059 0.300 1 358 36 36 THR CG2 C 23.025 0.300 1 359 36 36 THR N N 117.327 0.300 1 360 37 37 CYS H H 9.210 0.030 1 361 37 37 CYS HA H 5.100 0.030 1 362 37 37 CYS HB2 H 2.750 0.030 2 363 37 37 CYS HB3 H 3.030 0.030 2 364 37 37 CYS C C 171.364 0.300 1 365 37 37 CYS CA C 56.494 0.300 1 366 37 37 CYS CB C 31.251 0.300 1 367 37 37 CYS N N 127.526 0.300 1 368 38 38 PRO HA H 4.769 0.030 1 369 38 38 PRO HB2 H 2.159 0.030 2 370 38 38 PRO HB3 H 1.713 0.030 2 371 38 38 PRO HD2 H 3.551 0.030 2 372 38 38 PRO HD3 H 3.785 0.030 2 373 38 38 PRO HG2 H 1.760 0.030 1 374 38 38 PRO HG3 H 1.760 0.030 1 375 38 38 PRO CA C 61.961 0.300 1 376 38 38 PRO CB C 31.799 0.300 1 377 38 38 PRO CD C 50.871 0.300 1 378 38 38 PRO CG C 27.712 0.300 1 379 39 39 VAL H H 8.226 0.030 1 380 39 39 VAL HA H 3.551 0.030 1 381 39 39 VAL HB H 1.611 0.030 1 382 39 39 VAL HG1 H 0.771 0.030 1 383 39 39 VAL HG2 H 0.662 0.030 1 384 39 39 VAL C C 174.038 0.300 1 385 39 39 VAL CA C 62.849 0.300 1 386 39 39 VAL CB C 32.381 0.300 1 387 39 39 VAL CG1 C 20.390 0.300 2 388 39 39 VAL CG2 C 21.728 0.300 2 389 39 39 VAL N N 121.335 0.300 1 390 40 40 LYS H H 8.370 0.030 1 391 40 40 LYS HA H 3.496 0.030 1 392 40 40 LYS HB2 H 2.039 0.030 2 393 40 40 LYS HB3 H 1.880 0.030 2 394 40 40 LYS HD2 H 1.650 0.030 2 395 40 40 LYS HD3 H 1.601 0.030 2 396 40 40 LYS HE2 H 2.954 0.030 1 397 40 40 LYS HE3 H 2.954 0.030 1 398 40 40 LYS HG2 H 1.300 0.030 1 399 40 40 LYS HG3 H 1.300 0.030 1 400 40 40 LYS C C 174.674 0.300 1 401 40 40 LYS CA C 58.980 0.300 1 402 40 40 LYS CB C 29.421 0.300 1 403 40 40 LYS CD C 29.185 0.300 1 404 40 40 LYS CE C 42.375 0.300 1 405 40 40 LYS CG C 26.666 0.300 1 406 40 40 LYS N N 116.779 0.300 1 407 41 41 TYR H H 7.418 0.030 1 408 41 41 TYR HA H 4.511 0.030 1 409 41 41 TYR HB2 H 2.848 0.030 2 410 41 41 TYR HB3 H 2.802 0.030 2 411 41 41 TYR HD1 H 7.140 0.030 1 412 41 41 TYR HD2 H 7.140 0.030 1 413 41 41 TYR HE1 H 6.839 0.030 1 414 41 41 TYR HE2 H 6.839 0.030 1 415 41 41 TYR C C 173.851 0.300 1 416 41 41 TYR CA C 57.030 0.300 1 417 41 41 TYR CB C 41.051 0.300 1 418 41 41 TYR CD1 C 133.435 0.300 1 419 41 41 TYR CD2 C 133.435 0.300 1 420 41 41 TYR CE1 C 118.247 0.300 1 421 41 41 TYR CE2 C 118.247 0.300 1 422 41 41 TYR N N 118.993 0.300 1 423 42 42 SER H H 7.953 0.030 1 424 42 42 SER HA H 5.010 0.030 1 425 42 42 SER HB2 H 3.548 0.030 2 426 42 42 SER HB3 H 3.505 0.030 2 427 42 42 SER C C 174.177 0.300 1 428 42 42 SER CA C 56.853 0.300 1 429 42 42 SER CB C 64.081 0.300 1 430 42 42 SER N N 117.043 0.300 1 431 43 43 THR H H 8.891 0.030 1 432 43 43 THR HA H 4.648 0.030 1 433 43 43 THR HB H 4.329 0.030 1 434 43 43 THR HG2 H 1.730 0.030 1 435 43 43 THR C C 172.717 0.300 1 436 43 43 THR CA C 62.606 0.300 1 437 43 43 THR CB C 70.705 0.300 1 438 43 43 THR CG2 C 21.876 0.300 1 439 43 43 THR N N 122.297 0.300 1 440 44 44 GLN H H 8.623 0.030 1 441 44 44 GLN HA H 5.660 0.030 1 442 44 44 GLN HB2 H 2.025 0.030 2 443 44 44 GLN HB3 H 2.140 0.030 2 444 44 44 GLN HE21 H 7.898 0.030 2 445 44 44 GLN HE22 H 6.591 0.030 2 446 44 44 GLN HG2 H 2.250 0.030 2 447 44 44 GLN HG3 H 2.173 0.030 2 448 44 44 GLN C C 175.699 0.300 1 449 44 44 GLN CA C 54.965 0.300 1 450 44 44 GLN CB C 32.917 0.300 1 451 44 44 GLN CG C 34.726 0.300 1 452 44 44 GLN N N 124.814 0.300 1 453 44 44 GLN NE2 N 112.250 0.300 1 454 45 45 LYS H H 9.580 0.030 1 455 45 45 LYS HA H 4.647 0.030 1 456 45 45 LYS HB2 H 1.549 0.030 2 457 45 45 LYS HB3 H 1.302 0.030 2 458 45 45 LYS HD2 H 1.192 0.030 2 459 45 45 LYS HD3 H 1.270 0.030 2 460 45 45 LYS HE2 H 2.602 0.030 2 461 45 45 LYS HE3 H 2.741 0.030 2 462 45 45 LYS HG2 H 1.211 0.030 2 463 45 45 LYS HG3 H 1.006 0.030 2 464 45 45 LYS C C 174.278 0.300 1 465 45 45 LYS CA C 55.088 0.300 1 466 45 45 LYS CB C 36.375 0.300 1 467 45 45 LYS CD C 28.558 0.300 1 468 45 45 LYS CE C 41.553 0.300 1 469 45 45 LYS CG C 24.965 0.300 1 470 45 45 LYS N N 124.436 0.300 1 471 46 46 ILE H H 8.490 0.030 1 472 46 46 ILE HA H 4.847 0.030 1 473 46 46 ILE HB H 1.801 0.030 1 474 46 46 ILE HD1 H 0.814 0.030 1 475 46 46 ILE HG12 H 1.514 0.030 2 476 46 46 ILE HG13 H 1.220 0.030 2 477 46 46 ILE HG2 H 0.795 0.030 1 478 46 46 ILE C C 175.966 0.300 1 479 46 46 ILE CA C 59.588 0.300 1 480 46 46 ILE CB C 38.510 0.300 1 481 46 46 ILE CD1 C 12.216 0.300 1 482 46 46 ILE CG1 C 27.738 0.300 1 483 46 46 ILE CG2 C 17.896 0.300 1 484 46 46 ILE N N 122.537 0.300 1 485 47 47 LEU H H 9.229 0.030 1 486 47 47 LEU HA H 4.640 0.030 1 487 47 47 LEU HB2 H 1.470 0.030 2 488 47 47 LEU HB3 H 1.380 0.030 2 489 47 47 LEU HD1 H 0.810 0.030 1 490 47 47 LEU HD2 H 0.801 0.030 1 491 47 47 LEU HG H 1.481 0.030 1 492 47 47 LEU C C 174.009 0.300 1 493 47 47 LEU CA C 53.288 0.300 1 494 47 47 LEU CB C 45.378 0.300 1 495 47 47 LEU CD1 C 25.074 0.300 2 496 47 47 LEU CD2 C 24.215 0.300 2 497 47 47 LEU CG C 26.666 0.300 1 498 47 47 LEU N N 129.137 0.300 1 499 48 48 LEU H H 8.571 0.030 1 500 48 48 LEU HA H 4.884 0.030 1 501 48 48 LEU HB2 H 1.670 0.030 2 502 48 48 LEU HB3 H 1.420 0.030 2 503 48 48 LEU HD1 H 0.802 0.030 1 504 48 48 LEU HD2 H 0.813 0.030 1 505 48 48 LEU HG H 1.375 0.030 1 506 48 48 LEU C C 176.341 0.300 1 507 48 48 LEU CA C 54.047 0.300 1 508 48 48 LEU CB C 42.730 0.300 1 509 48 48 LEU CD1 C 23.975 0.300 2 510 48 48 LEU CD2 C 24.692 0.300 2 511 48 48 LEU CG C 27.653 0.300 1 512 48 48 LEU N N 127.239 0.300 1 513 49 49 VAL H H 8.761 0.030 1 514 49 49 VAL HA H 4.529 0.030 1 515 49 49 VAL HB H 1.272 0.030 1 516 49 49 VAL HG1 H 0.070 0.030 1 517 49 49 VAL HG2 H 0.230 0.030 1 518 49 49 VAL C C 172.624 0.300 1 519 49 49 VAL CA C 59.448 0.300 1 520 49 49 VAL CB C 34.816 0.300 1 521 49 49 VAL CG1 C 20.972 0.300 2 522 49 49 VAL CG2 C 20.443 0.300 2 523 49 49 VAL N N 125.440 0.300 1 524 50 50 ARG H H 9.361 0.030 1 525 50 50 ARG HA H 5.004 0.030 1 526 50 50 ARG HB2 H 1.540 0.030 2 527 50 50 ARG HB3 H 1.429 0.030 2 528 50 50 ARG HD2 H 3.035 0.030 2 529 50 50 ARG HD3 H 2.970 0.030 2 530 50 50 ARG HE H 7.050 0.030 1 531 50 50 ARG HG2 H 1.230 0.030 2 532 50 50 ARG HG3 H 1.340 0.030 2 533 50 50 ARG C C 175.218 0.300 1 534 50 50 ARG CA C 53.641 0.300 1 535 50 50 ARG CB C 34.189 0.300 1 536 50 50 ARG CD C 43.410 0.300 1 537 50 50 ARG CG C 27.445 0.300 1 538 50 50 ARG N N 125.783 0.300 1 539 50 50 ARG NE N 84.322 0.300 1 540 51 51 ASN H H 7.856 0.030 1 541 51 51 ASN HA H 5.229 0.030 1 542 51 51 ASN HB2 H 3.487 0.030 2 543 51 51 ASN HB3 H 2.144 0.030 2 544 51 51 ASN HD21 H 6.772 0.030 2 545 51 51 ASN HD22 H 7.605 0.030 2 546 51 51 ASN C C 176.282 0.300 1 547 51 51 ASN CA C 51.541 0.300 1 548 51 51 ASN CB C 37.593 0.300 1 549 51 51 ASN N N 118.110 0.300 1 550 51 51 ASN ND2 N 108.251 0.300 1 551 52 52 ILE H H 8.651 0.030 1 552 52 52 ILE HA H 4.610 0.030 1 553 52 52 ILE HB H 2.250 0.030 1 554 52 52 ILE HD1 H 0.818 0.030 1 555 52 52 ILE HG12 H 1.092 0.030 2 556 52 52 ILE HG13 H 0.820 0.030 2 557 52 52 ILE HG2 H 0.810 0.030 1 558 52 52 ILE C C 176.498 0.300 1 559 52 52 ILE CA C 61.070 0.300 1 560 52 52 ILE CB C 37.276 0.300 1 561 52 52 ILE CD1 C 14.127 0.300 1 562 52 52 ILE CG1 C 26.401 0.300 1 563 52 52 ILE CG2 C 18.015 0.300 1 564 52 52 ILE N N 121.249 0.300 1 565 53 53 GLY H H 8.549 0.030 1 566 53 53 GLY HA2 H 4.553 0.030 2 567 53 53 GLY HA3 H 3.963 0.030 2 568 53 53 GLY C C 172.285 0.300 1 569 53 53 GLY CA C 44.076 0.300 1 570 53 53 GLY N N 111.948 0.300 1 571 54 54 ASN H H 8.251 0.030 1 572 54 54 ASN HA H 4.849 0.030 1 573 54 54 ASN HB2 H 2.970 0.030 2 574 54 54 ASN HB3 H 2.751 0.030 2 575 54 54 ASN HD21 H 7.529 0.030 2 576 54 54 ASN HD22 H 6.870 0.030 2 577 54 54 ASN C C 174.170 0.300 1 578 54 54 ASN CA C 52.229 0.300 1 579 54 54 ASN CB C 38.492 0.300 1 580 54 54 ASN N N 114.713 0.300 1 581 54 54 ASN ND2 N 110.447 0.300 1 582 55 55 LYS H H 7.211 0.030 1 583 55 55 LYS HA H 4.425 0.030 1 584 55 55 LYS HB2 H 1.550 0.030 2 585 55 55 LYS HB3 H 1.450 0.030 2 586 55 55 LYS HD2 H 1.598 0.030 1 587 55 55 LYS HD3 H 1.598 0.030 1 588 55 55 LYS HE2 H 3.020 0.030 1 589 55 55 LYS HE3 H 3.020 0.030 1 590 55 55 LYS HG2 H 1.380 0.030 2 591 55 55 LYS HG3 H 1.543 0.030 2 592 55 55 LYS C C 174.611 0.300 1 593 55 55 LYS CA C 54.312 0.300 1 594 55 55 LYS CB C 36.536 0.300 1 595 55 55 LYS CD C 29.338 0.300 1 596 55 55 LYS CE C 42.062 0.300 1 597 55 55 LYS CG C 24.100 0.300 1 598 55 55 LYS N N 118.695 0.300 1 599 56 56 ASN H H 8.832 0.030 1 600 56 56 ASN HA H 4.291 0.030 1 601 56 56 ASN HB2 H 2.781 0.030 2 602 56 56 ASN HB3 H 2.737 0.030 2 603 56 56 ASN HD21 H 6.582 0.030 2 604 56 56 ASN HD22 H 7.519 0.030 2 605 56 56 ASN C C 173.483 0.300 1 606 56 56 ASN CA C 54.700 0.300 1 607 56 56 ASN CB C 38.016 0.300 1 608 56 56 ASN N N 123.524 0.300 1 609 56 56 ASN ND2 N 112.049 0.300 1 610 57 57 ALA H H 8.500 0.030 1 611 57 57 ALA HA H 4.837 0.030 1 612 57 57 ALA HB H 1.510 0.030 1 613 57 57 ALA C C 175.683 0.300 1 614 57 57 ALA CA C 51.030 0.300 1 615 57 57 ALA CB C 22.719 0.300 1 616 57 57 ALA N N 125.327 0.300 1 617 58 58 VAL H H 8.717 0.030 1 618 58 58 VAL HA H 4.530 0.030 1 619 58 58 VAL HB H 1.983 0.030 1 620 58 58 VAL HG1 H 0.900 0.030 1 621 58 58 VAL HG2 H 0.900 0.030 1 622 58 58 VAL C C 175.377 0.300 1 623 58 58 VAL CA C 62.689 0.300 1 624 58 58 VAL CB C 33.698 0.300 1 625 58 58 VAL CG1 C 21.073 0.300 2 626 58 58 VAL CG2 C 21.073 0.300 2 627 58 58 VAL N N 125.453 0.300 1 628 59 59 PHE H H 8.333 0.030 1 629 59 59 PHE HA H 5.820 0.030 1 630 59 59 PHE HB2 H 2.590 0.030 2 631 59 59 PHE HB3 H 2.458 0.030 2 632 59 59 PHE HD1 H 6.668 0.030 1 633 59 59 PHE HD2 H 6.668 0.030 1 634 59 59 PHE HE1 H 6.851 0.030 1 635 59 59 PHE HE2 H 6.851 0.030 1 636 59 59 PHE HZ H 7.172 0.030 1 637 59 59 PHE C C 173.443 0.300 1 638 59 59 PHE CA C 54.982 0.300 1 639 59 59 PHE CB C 42.910 0.300 1 640 59 59 PHE CD1 C 132.327 0.300 1 641 59 59 PHE CD2 C 132.327 0.300 1 642 59 59 PHE CE1 C 129.987 0.300 1 643 59 59 PHE CE2 C 129.987 0.300 1 644 59 59 PHE CZ C 129.521 0.300 1 645 59 59 PHE N N 121.406 0.300 1 646 60 60 HIS H H 8.532 0.030 1 647 60 60 HIS HA H 5.489 0.030 1 648 60 60 HIS HB2 H 3.123 0.030 1 649 60 60 HIS HB3 H 3.123 0.030 1 650 60 60 HIS HD2 H 6.902 0.030 1 651 60 60 HIS HE1 H 7.776 0.030 1 652 60 60 HIS C C 174.216 0.300 1 653 60 60 HIS CA C 54.718 0.300 1 654 60 60 HIS CB C 33.492 0.300 1 655 60 60 HIS CD2 C 120.411 0.300 1 656 60 60 HIS CE1 C 138.022 0.300 1 657 60 60 HIS N N 118.477 0.300 1 658 61 61 ILE H H 9.560 0.030 1 659 61 61 ILE HA H 5.070 0.030 1 660 61 61 ILE HB H 1.750 0.030 1 661 61 61 ILE HD1 H 0.820 0.030 1 662 61 61 ILE HG12 H 0.810 0.030 2 663 61 61 ILE HG13 H 1.750 0.030 2 664 61 61 ILE HG2 H 0.750 0.030 1 665 61 61 ILE C C 174.401 0.300 1 666 61 61 ILE CA C 60.576 0.300 1 667 61 61 ILE CB C 40.073 0.300 1 668 61 61 ILE CD1 C 14.507 0.300 1 669 61 61 ILE CG1 C 28.195 0.300 1 670 61 61 ILE CG2 C 19.651 0.300 1 671 61 61 ILE N N 124.133 0.300 1 672 62 62 LYS H H 8.927 0.030 1 673 62 62 LYS HA H 4.742 0.030 1 674 62 62 LYS HB2 H 1.940 0.030 2 675 62 62 LYS HB3 H 1.720 0.030 2 676 62 62 LYS HD2 H 1.666 0.030 1 677 62 62 LYS HD3 H 1.666 0.030 1 678 62 62 LYS HE2 H 2.823 0.030 1 679 62 62 LYS HE3 H 2.823 0.030 1 680 62 62 LYS HG2 H 1.398 0.030 1 681 62 62 LYS HG3 H 1.398 0.030 1 682 62 62 LYS C C 175.196 0.300 1 683 62 62 LYS CA C 54.718 0.300 1 684 62 62 LYS CB C 35.717 0.300 1 685 62 62 LYS CD C 29.355 0.300 1 686 62 62 LYS CE C 42.102 0.300 1 687 62 62 LYS CG C 24.857 0.300 1 688 62 62 LYS N N 126.572 0.300 1 689 63 63 THR H H 8.491 0.030 1 690 63 63 THR HA H 4.778 0.030 1 691 63 63 THR HB H 4.264 0.030 1 692 63 63 THR HG2 H 0.920 0.030 1 693 63 63 THR C C 172.235 0.300 1 694 63 63 THR CA C 62.052 0.300 1 695 63 63 THR CB C 69.181 0.300 1 696 63 63 THR CG2 C 17.036 0.300 1 697 63 63 THR N N 116.257 0.300 1 698 64 64 CYS H H 8.540 0.030 1 699 64 64 CYS HA H 5.050 0.030 1 700 64 64 CYS HB2 H 3.128 0.030 2 701 64 64 CYS HB3 H 3.035 0.030 2 702 64 64 CYS C C 173.699 0.300 1 703 64 64 CYS CA C 56.712 0.300 1 704 64 64 CYS CB C 30.961 0.300 1 705 64 64 CYS N N 118.818 0.300 1 706 65 65 ARG H H 8.730 0.030 1 707 65 65 ARG HA H 4.433 0.030 1 708 65 65 ARG HB2 H 1.848 0.030 2 709 65 65 ARG HB3 H 1.820 0.030 2 710 65 65 ARG HD2 H 3.160 0.030 1 711 65 65 ARG HD3 H 3.160 0.030 1 712 65 65 ARG HG2 H 1.870 0.030 2 713 65 65 ARG HG3 H 1.770 0.030 2 714 65 65 ARG C C 175.289 0.300 1 715 65 65 ARG CA C 56.142 0.300 1 716 65 65 ARG CB C 28.819 0.300 1 717 65 65 ARG CD C 43.301 0.300 1 718 65 65 ARG CG C 26.939 0.300 1 719 65 65 ARG N N 124.375 0.300 1 720 66 66 PRO HA H 4.484 0.030 1 721 66 66 PRO HB2 H 1.978 0.030 2 722 66 66 PRO HB3 H 1.459 0.030 2 723 66 66 PRO HD2 H 3.593 0.030 2 724 66 66 PRO HD3 H 3.565 0.030 2 725 66 66 PRO HG2 H 0.541 0.030 2 726 66 66 PRO HG3 H 1.780 0.030 2 727 66 66 PRO C C 174.199 0.300 1 728 66 66 PRO CA C 63.474 0.300 1 729 66 66 PRO CB C 32.994 0.300 1 730 66 66 PRO CD C 50.421 0.300 1 731 66 66 PRO CG C 23.655 0.300 1 732 67 67 PHE H H 9.044 0.030 1 733 67 67 PHE HA H 5.858 0.030 1 734 67 67 PHE HB2 H 3.082 0.030 2 735 67 67 PHE HB3 H 2.824 0.030 2 736 67 67 PHE HD1 H 6.900 0.030 1 737 67 67 PHE HD2 H 6.900 0.030 1 738 67 67 PHE HE1 H 6.780 0.030 1 739 67 67 PHE HE2 H 6.780 0.030 1 740 67 67 PHE HZ H 6.280 0.030 1 741 67 67 PHE C C 174.176 0.300 1 742 67 67 PHE CA C 56.924 0.300 1 743 67 67 PHE CB C 41.552 0.300 1 744 67 67 PHE CZ C 128.404 0.300 1 745 67 67 PHE N N 128.699 0.300 1 746 68 68 SER H H 8.609 0.030 1 747 68 68 SER HA H 4.421 0.030 1 748 68 68 SER HB2 H 3.777 0.030 1 749 68 68 SER HB3 H 3.777 0.030 1 750 68 68 SER C C 171.561 0.300 1 751 68 68 SER CA C 57.753 0.300 1 752 68 68 SER CB C 65.191 0.300 1 753 68 68 SER N N 112.301 0.300 1 754 69 69 ILE H H 8.368 0.030 1 755 69 69 ILE HA H 5.504 0.030 1 756 69 69 ILE HB H 1.546 0.030 1 757 69 69 ILE HD1 H 0.820 0.030 1 758 69 69 ILE HG12 H 1.470 0.030 2 759 69 69 ILE HG13 H 1.221 0.030 2 760 69 69 ILE HG2 H 0.922 0.030 1 761 69 69 ILE C C 171.675 0.300 1 762 69 69 ILE CA C 58.477 0.300 1 763 69 69 ILE CB C 42.993 0.300 1 764 69 69 ILE CD1 C 15.630 0.300 1 765 69 69 ILE CG1 C 28.286 0.300 1 766 69 69 ILE CG2 C 16.562 0.300 1 767 69 69 ILE N N 119.731 0.300 1 768 70 70 GLU H H 8.448 0.030 1 769 70 70 GLU HA H 4.781 0.030 1 770 70 70 GLU HB2 H 1.990 0.030 1 771 70 70 GLU HB3 H 1.990 0.030 1 772 70 70 GLU HG2 H 2.344 0.030 2 773 70 70 GLU HG3 H 2.172 0.030 2 774 70 70 GLU C C 174.441 0.300 1 775 70 70 GLU CA C 53.077 0.300 1 776 70 70 GLU CB C 34.103 0.300 1 777 70 70 GLU CG C 35.408 0.300 1 778 70 70 GLU N N 125.256 0.300 1 779 71 71 PRO HA H 4.891 0.030 1 780 71 71 PRO HB2 H 2.541 0.030 2 781 71 71 PRO HB3 H 2.309 0.030 2 782 71 71 PRO HD2 H 3.660 0.030 2 783 71 71 PRO HD3 H 3.970 0.030 2 784 71 71 PRO HG2 H 2.110 0.030 2 785 71 71 PRO HG3 H 1.919 0.030 2 786 71 71 PRO C C 173.607 0.300 1 787 71 71 PRO CA C 63.289 0.300 1 788 71 71 PRO CB C 34.673 0.300 1 789 71 71 PRO CD C 49.875 0.300 1 790 71 71 PRO CG C 25.005 0.300 1 791 72 72 ALA H H 8.402 0.030 1 792 72 72 ALA HA H 4.502 0.030 1 793 72 72 ALA HB H 1.639 0.030 1 794 72 72 ALA C C 176.496 0.300 1 795 72 72 ALA CA C 51.947 0.300 1 796 72 72 ALA CB C 20.046 0.300 1 797 72 72 ALA N N 116.852 0.300 1 798 73 73 ILE H H 7.321 0.030 1 799 73 73 ILE HA H 4.766 0.030 1 800 73 73 ILE HB H 1.650 0.030 1 801 73 73 ILE HD1 H 0.739 0.030 1 802 73 73 ILE HG12 H 1.383 0.030 2 803 73 73 ILE HG13 H 0.839 0.030 2 804 73 73 ILE HG2 H 0.770 0.030 1 805 73 73 ILE C C 174.634 0.300 1 806 73 73 ILE CA C 58.918 0.300 1 807 73 73 ILE CB C 41.706 0.300 1 808 73 73 ILE CD1 C 13.857 0.300 1 809 73 73 ILE CG1 C 27.274 0.300 1 810 73 73 ILE CG2 C 17.043 0.300 1 811 73 73 ILE N N 114.719 0.300 1 812 74 74 GLY H H 7.390 0.030 1 813 74 74 GLY HA2 H 3.960 0.030 2 814 74 74 GLY HA3 H 3.128 0.030 2 815 74 74 GLY C C 169.901 0.300 1 816 74 74 GLY CA C 45.167 0.300 1 817 74 74 GLY N N 109.849 0.300 1 818 75 75 THR H H 7.806 0.030 1 819 75 75 THR HA H 5.134 0.030 1 820 75 75 THR HB H 4.013 0.030 1 821 75 75 THR HG2 H 1.118 0.030 1 822 75 75 THR C C 173.242 0.300 1 823 75 75 THR CA C 59.844 0.300 1 824 75 75 THR CB C 71.388 0.300 1 825 75 75 THR CG2 C 21.153 0.300 1 826 75 75 THR N N 112.458 0.300 1 827 76 76 LEU H H 9.030 0.030 1 828 76 76 LEU HA H 4.851 0.030 1 829 76 76 LEU HB2 H 1.799 0.030 2 830 76 76 LEU HB3 H 1.520 0.030 2 831 76 76 LEU HD1 H 0.862 0.030 1 832 76 76 LEU HD2 H 0.767 0.030 1 833 76 76 LEU HG H 1.614 0.030 1 834 76 76 LEU C C 176.277 0.300 1 835 76 76 LEU CA C 53.835 0.300 1 836 76 76 LEU CB C 46.894 0.300 1 837 76 76 LEU CD1 C 24.965 0.300 2 838 76 76 LEU CD2 C 25.800 0.300 2 839 76 76 LEU CG C 26.564 0.300 1 840 76 76 LEU N N 124.311 0.300 1 841 77 77 ASN H H 9.511 0.030 1 842 77 77 ASN HA H 4.825 0.030 1 843 77 77 ASN HB2 H 2.820 0.030 2 844 77 77 ASN HB3 H 2.610 0.030 2 845 77 77 ASN HD21 H 7.571 0.030 2 846 77 77 ASN HD22 H 6.760 0.030 2 847 77 77 ASN C C 175.395 0.300 1 848 77 77 ASN CA C 52.318 0.300 1 849 77 77 ASN CB C 38.515 0.300 1 850 77 77 ASN N N 129.863 0.300 1 851 77 77 ASN ND2 N 110.831 0.300 1 852 78 78 VAL H H 8.210 0.030 1 853 78 78 VAL HA H 3.131 0.030 1 854 78 78 VAL HB H 1.826 0.030 1 855 78 78 VAL HG1 H 0.879 0.030 1 856 78 78 VAL HG2 H 0.700 0.030 1 857 78 78 VAL C C 177.405 0.300 1 858 78 78 VAL CA C 65.959 0.300 1 859 78 78 VAL CB C 32.050 0.300 1 860 78 78 VAL CG1 C 21.257 0.300 2 861 78 78 VAL CG2 C 21.150 0.300 2 862 78 78 VAL N N 119.171 0.300 1 863 79 79 GLY H H 8.642 0.030 1 864 79 79 GLY HA2 H 4.253 0.030 2 865 79 79 GLY HA3 H 3.751 0.030 2 866 79 79 GLY C C 173.990 0.300 1 867 79 79 GLY CA C 45.676 0.300 1 868 79 79 GLY N N 115.319 0.300 1 869 80 80 GLU H H 8.050 0.030 1 870 80 80 GLU HA H 4.519 0.030 1 871 80 80 GLU HB2 H 2.210 0.030 2 872 80 80 GLU HB3 H 2.095 0.030 2 873 80 80 GLU HG2 H 2.260 0.030 1 874 80 80 GLU HG3 H 2.260 0.030 1 875 80 80 GLU C C 174.446 0.300 1 876 80 80 GLU CA C 55.795 0.300 1 877 80 80 GLU CB C 31.613 0.300 1 878 80 80 GLU CG C 37.194 0.300 1 879 80 80 GLU N N 121.071 0.300 1 880 81 81 SER H H 8.414 0.030 1 881 81 81 SER HA H 5.788 0.030 1 882 81 81 SER HB2 H 3.650 0.030 2 883 81 81 SER HB3 H 3.570 0.030 2 884 81 81 SER C C 173.600 0.300 1 885 81 81 SER CA C 56.505 0.300 1 886 81 81 SER CB C 67.282 0.300 1 887 81 81 SER N N 113.610 0.300 1 888 82 82 MET H H 9.220 0.030 1 889 82 82 MET HA H 4.778 0.030 1 890 82 82 MET HB2 H 1.960 0.030 2 891 82 82 MET HB3 H 2.271 0.030 2 892 82 82 MET HE H 2.043 0.030 1 893 82 82 MET HG2 H 2.379 0.030 2 894 82 82 MET HG3 H 2.211 0.030 2 895 82 82 MET C C 172.619 0.300 1 896 82 82 MET CA C 54.841 0.300 1 897 82 82 MET CB C 36.495 0.300 1 898 82 82 MET CE C 16.948 0.300 1 899 82 82 MET CG C 30.460 0.300 1 900 82 82 MET N N 117.946 0.300 1 901 83 83 GLN H H 8.490 0.030 1 902 83 83 GLN HA H 5.152 0.030 1 903 83 83 GLN HB2 H 1.970 0.030 2 904 83 83 GLN HB3 H 1.880 0.030 2 905 83 83 GLN HE21 H 7.579 0.030 2 906 83 83 GLN HE22 H 6.878 0.030 2 907 83 83 GLN HG2 H 2.290 0.030 2 908 83 83 GLN HG3 H 2.099 0.030 2 909 83 83 GLN C C 175.186 0.300 1 910 83 83 GLN CA C 54.771 0.300 1 911 83 83 GLN CB C 30.820 0.300 1 912 83 83 GLN CG C 35.138 0.300 1 913 83 83 GLN N N 119.939 0.300 1 914 83 83 GLN NE2 N 112.198 0.300 1 915 84 84 LEU H H 9.151 0.030 1 916 84 84 LEU HA H 4.934 0.030 1 917 84 84 LEU HB2 H 1.613 0.030 2 918 84 84 LEU HB3 H 1.467 0.030 2 919 84 84 LEU HD1 H 0.815 0.030 1 920 84 84 LEU HD2 H 0.981 0.030 1 921 84 84 LEU HG H 1.620 0.030 1 922 84 84 LEU C C 175.037 0.300 1 923 84 84 LEU CA C 54.047 0.300 1 924 84 84 LEU CB C 44.555 0.300 1 925 84 84 LEU CD1 C 27.201 0.300 2 926 84 84 LEU CD2 C 24.823 0.300 2 927 84 84 LEU CG C 27.636 0.300 1 928 84 84 LEU N N 123.659 0.300 1 929 85 85 GLU H H 8.941 0.030 1 930 85 85 GLU HA H 4.825 0.030 1 931 85 85 GLU HB2 H 1.970 0.030 2 932 85 85 GLU HB3 H 2.089 0.030 2 933 85 85 GLU HG2 H 2.019 0.030 2 934 85 85 GLU HG3 H 2.184 0.030 2 935 85 85 GLU C C 175.038 0.300 1 936 85 85 GLU CA C 55.512 0.300 1 937 85 85 GLU CB C 31.491 0.300 1 938 85 85 GLU CG C 36.618 0.300 1 939 85 85 GLU N N 122.121 0.300 1 940 86 86 VAL H H 9.297 0.030 1 941 86 86 VAL HA H 5.070 0.030 1 942 86 86 VAL HB H 2.208 0.030 1 943 86 86 VAL HG1 H 1.271 0.030 1 944 86 86 VAL HG2 H 0.874 0.030 1 945 86 86 VAL C C 174.742 0.300 1 946 86 86 VAL CA C 60.401 0.300 1 947 86 86 VAL CB C 32.876 0.300 1 948 86 86 VAL CG1 C 22.676 0.300 2 949 86 86 VAL CG2 C 21.163 0.300 2 950 86 86 VAL N N 128.003 0.300 1 951 87 87 GLU H H 9.081 0.030 1 952 87 87 GLU HA H 5.490 0.030 1 953 87 87 GLU HB2 H 1.890 0.030 2 954 87 87 GLU HB3 H 1.950 0.030 2 955 87 87 GLU HG2 H 2.210 0.030 2 956 87 87 GLU HG3 H 2.019 0.030 2 957 87 87 GLU C C 173.948 0.300 1 958 87 87 GLU CA C 54.735 0.300 1 959 87 87 GLU CB C 33.313 0.300 1 960 87 87 GLU CG C 37.358 0.300 1 961 87 87 GLU N N 126.906 0.300 1 962 88 88 PHE H H 8.590 0.030 1 963 88 88 PHE HA H 4.723 0.030 1 964 88 88 PHE HB2 H 2.181 0.030 2 965 88 88 PHE HB3 H 1.321 0.030 2 966 88 88 PHE HD1 H 7.289 0.030 1 967 88 88 PHE HD2 H 7.289 0.030 1 968 88 88 PHE HE1 H 6.042 0.030 1 969 88 88 PHE HE2 H 6.042 0.030 1 970 88 88 PHE HZ H 6.615 0.030 1 971 88 88 PHE C C 172.873 0.300 1 972 88 88 PHE CA C 53.341 0.300 1 973 88 88 PHE CB C 41.106 0.300 1 974 88 88 PHE CD1 C 131.646 0.300 1 975 88 88 PHE CD2 C 131.646 0.300 1 976 88 88 PHE CZ C 127.962 0.300 1 977 88 88 PHE N N 123.126 0.300 1 978 89 89 GLU H H 8.233 0.030 1 979 89 89 GLU HA H 4.910 0.030 1 980 89 89 GLU HB2 H 1.374 0.030 2 981 89 89 GLU HB3 H 1.759 0.030 2 982 89 89 GLU HG2 H 1.550 0.030 1 983 89 89 GLU HG3 H 1.550 0.030 1 984 89 89 GLU C C 171.921 0.300 1 985 89 89 GLU CA C 51.947 0.300 1 986 89 89 GLU CB C 30.658 0.300 1 987 89 89 GLU CG C 36.035 0.300 1 988 89 89 GLU N N 127.313 0.300 1 989 90 90 PRO HA H 3.610 0.030 1 990 90 90 PRO HB2 H 1.290 0.030 2 991 90 90 PRO HB3 H 0.875 0.030 2 992 90 90 PRO HD2 H 3.450 0.030 2 993 90 90 PRO HD3 H 0.673 0.030 2 994 90 90 PRO HG2 H 0.844 0.030 2 995 90 90 PRO HG3 H 1.723 0.030 2 996 90 90 PRO CA C 62.025 0.300 1 997 90 90 PRO CB C 32.062 0.300 1 998 90 90 PRO CD C 48.467 0.300 1 999 91 91 GLN H H 9.228 0.030 1 1000 91 91 GLN HA H 4.210 0.030 1 1001 91 91 GLN HB2 H 1.838 0.030 2 1002 91 91 GLN HB3 H 2.310 0.030 2 1003 91 91 GLN HE21 H 7.100 0.030 2 1004 91 91 GLN HE22 H 6.688 0.030 2 1005 91 91 GLN HG2 H 2.221 0.030 2 1006 91 91 GLN HG3 H 2.331 0.030 2 1007 91 91 GLN CA C 54.297 0.300 1 1008 91 91 GLN CB C 29.446 0.300 1 1009 91 91 GLN CG C 33.655 0.300 1 1010 91 91 GLN N N 117.632 0.300 1 1011 91 91 GLN NE2 N 113.879 0.300 1 1012 92 92 SER H H 7.203 0.030 1 1013 92 92 SER HA H 4.690 0.030 1 1014 92 92 SER HB2 H 3.905 0.030 2 1015 92 92 SER HB3 H 3.829 0.030 2 1016 92 92 SER CA C 56.078 0.300 1 1017 92 92 SER CB C 65.519 0.300 1 1018 92 92 SER N N 110.702 0.300 1 1019 93 93 VAL H H 8.590 0.030 1 1020 93 93 VAL HA H 3.738 0.030 1 1021 93 93 VAL HB H 2.160 0.030 1 1022 93 93 VAL HG1 H 1.026 0.030 1 1023 93 93 VAL HG2 H 0.975 0.030 1 1024 93 93 VAL C C 175.682 0.300 1 1025 93 93 VAL CA C 63.337 0.300 1 1026 93 93 VAL CB C 32.917 0.300 1 1027 93 93 VAL CG1 C 21.624 0.300 2 1028 93 93 VAL CG2 C 20.995 0.300 2 1029 93 93 VAL N N 120.669 0.300 1 1030 94 94 GLY H H 8.610 0.030 1 1031 94 94 GLY HA2 H 3.920 0.030 2 1032 94 94 GLY HA3 H 4.592 0.030 2 1033 94 94 GLY CA C 43.724 0.300 1 1034 94 94 GLY N N 112.390 0.300 1 1035 95 95 ASP H H 8.425 0.030 1 1036 95 95 ASP HA H 5.065 0.030 1 1037 95 95 ASP HB2 H 2.800 0.030 2 1038 95 95 ASP HB3 H 2.562 0.030 2 1039 95 95 ASP C C 176.118 0.300 1 1040 95 95 ASP CA C 55.018 0.300 1 1041 95 95 ASP CB C 42.458 0.300 1 1042 95 95 ASP N N 119.949 0.300 1 1043 96 96 HIS H H 9.131 0.030 1 1044 96 96 HIS HA H 4.813 0.030 1 1045 96 96 HIS HB2 H 3.010 0.030 2 1046 96 96 HIS HB3 H 2.876 0.030 2 1047 96 96 HIS HD2 H 7.110 0.030 1 1048 96 96 HIS HE1 H 7.654 0.030 1 1049 96 96 HIS C C 174.448 0.300 1 1050 96 96 HIS CA C 56.271 0.300 1 1051 96 96 HIS CB C 35.286 0.300 1 1052 96 96 HIS CD2 C 117.427 0.300 1 1053 96 96 HIS CE1 C 138.837 0.300 1 1054 96 96 HIS N N 121.356 0.300 1 1055 97 97 SER H H 8.910 0.030 1 1056 97 97 SER HA H 5.539 0.030 1 1057 97 97 SER HB2 H 4.019 0.030 2 1058 97 97 SER HB3 H 3.941 0.030 2 1059 97 97 SER C C 174.018 0.300 1 1060 97 97 SER CA C 56.659 0.300 1 1061 97 97 SER CB C 65.900 0.300 1 1062 97 97 SER N N 117.005 0.300 1 1063 98 98 GLY H H 8.642 0.030 1 1064 98 98 GLY HA2 H 4.494 0.030 2 1065 98 98 GLY HA3 H 3.878 0.030 2 1066 98 98 GLY C C 172.576 0.300 1 1067 98 98 GLY CA C 45.030 0.300 1 1068 98 98 GLY N N 111.059 0.300 1 1069 99 99 ARG H H 8.799 0.030 1 1070 99 99 ARG HA H 5.282 0.030 1 1071 99 99 ARG HB2 H 1.610 0.030 2 1072 99 99 ARG HB3 H 1.789 0.030 2 1073 99 99 ARG HD2 H 2.871 0.030 1 1074 99 99 ARG HD3 H 2.871 0.030 1 1075 99 99 ARG HG2 H 1.500 0.030 2 1076 99 99 ARG HG3 H 1.589 0.030 2 1077 99 99 ARG C C 176.793 0.300 1 1078 99 99 ARG CA C 55.424 0.300 1 1079 99 99 ARG CB C 34.048 0.300 1 1080 99 99 ARG CD C 44.020 0.300 1 1081 99 99 ARG CG C 26.470 0.300 1 1082 99 99 ARG N N 119.347 0.300 1 1083 100 100 LEU H H 9.269 0.030 1 1084 100 100 LEU HA H 4.730 0.030 1 1085 100 100 LEU HB2 H 1.521 0.030 2 1086 100 100 LEU HB3 H 1.053 0.030 2 1087 100 100 LEU HD1 H 0.590 0.030 1 1088 100 100 LEU HD2 H 0.673 0.030 1 1089 100 100 LEU HG H 1.520 0.030 1 1090 100 100 LEU C C 175.478 0.300 1 1091 100 100 LEU CA C 53.765 0.300 1 1092 100 100 LEU CB C 42.741 0.300 1 1093 100 100 LEU CD1 C 24.610 0.300 2 1094 100 100 LEU CD2 C 23.212 0.300 2 1095 100 100 LEU CG C 25.955 0.300 1 1096 100 100 LEU N N 122.346 0.300 1 1097 101 101 ILE H H 8.999 0.030 1 1098 101 101 ILE HA H 4.260 0.030 1 1099 101 101 ILE HB H 1.769 0.030 1 1100 101 101 ILE HD1 H 0.870 0.030 1 1101 101 101 ILE HG12 H 0.990 0.030 2 1102 101 101 ILE HG13 H 1.471 0.030 2 1103 101 101 ILE HG2 H 0.639 0.030 1 1104 101 101 ILE C C 174.690 0.300 1 1105 101 101 ILE CA C 61.177 0.300 1 1106 101 101 ILE CB C 38.798 0.300 1 1107 101 101 ILE CD1 C 14.137 0.300 1 1108 101 101 ILE CG1 C 26.955 0.300 1 1109 101 101 ILE CG2 C 17.682 0.300 1 1110 101 101 ILE N N 123.392 0.300 1 1111 102 102 VAL H H 9.072 0.030 1 1112 102 102 VAL HA H 3.878 0.030 1 1113 102 102 VAL HB H 1.711 0.030 1 1114 102 102 VAL HG1 H 0.117 0.030 1 1115 102 102 VAL HG2 H -0.180 0.030 1 1116 102 102 VAL C C 174.247 0.300 1 1117 102 102 VAL CA C 61.890 0.300 1 1118 102 102 VAL CB C 31.216 0.300 1 1119 102 102 VAL CG1 C 19.506 0.300 2 1120 102 102 VAL CG2 C 18.511 0.300 2 1121 102 102 VAL N N 129.974 0.300 1 1122 103 103 CYS H H 8.699 0.030 1 1123 103 103 CYS HA H 4.887 0.030 1 1124 103 103 CYS HB2 H 2.700 0.030 2 1125 103 103 CYS HB3 H 2.580 0.030 2 1126 103 103 CYS C C 175.434 0.300 1 1127 103 103 CYS CA C 57.118 0.300 1 1128 103 103 CYS CB C 28.429 0.300 1 1129 103 103 CYS N N 124.418 0.300 1 1130 104 104 TYR H H 8.697 0.030 1 1131 104 104 TYR HA H 5.502 0.030 1 1132 104 104 TYR HB2 H 3.560 0.030 2 1133 104 104 TYR HB3 H 3.089 0.030 2 1134 104 104 TYR HD1 H 7.090 0.030 1 1135 104 104 TYR HD2 H 7.090 0.030 1 1136 104 104 TYR HE1 H 6.511 0.030 1 1137 104 104 TYR HE2 H 6.511 0.030 1 1138 104 104 TYR C C 178.866 0.300 1 1139 104 104 TYR CA C 57.942 0.300 1 1140 104 104 TYR CB C 40.073 0.300 1 1141 104 104 TYR CD1 C 132.313 0.300 1 1142 104 104 TYR CD2 C 132.313 0.300 1 1143 104 104 TYR CE1 C 118.139 0.300 1 1144 104 104 TYR CE2 C 118.139 0.300 1 1145 104 104 TYR N N 124.512 0.300 1 1146 105 105 ASP H H 9.028 0.030 1 1147 105 105 ASP HA H 4.379 0.030 1 1148 105 105 ASP HB2 H 2.930 0.030 2 1149 105 105 ASP HB3 H 2.748 0.030 2 1150 105 105 ASP C C 176.992 0.300 1 1151 105 105 ASP CA C 56.783 0.300 1 1152 105 105 ASP CB C 39.455 0.300 1 1153 105 105 ASP N N 124.327 0.300 1 1154 106 106 THR H H 7.500 0.030 1 1155 106 106 THR HA H 4.253 0.030 1 1156 106 106 THR HB H 4.603 0.030 1 1157 106 106 THR HG2 H 1.360 0.030 1 1158 106 106 THR C C 176.103 0.300 1 1159 106 106 THR CA C 61.824 0.300 1 1160 106 106 THR CB C 69.551 0.300 1 1161 106 106 THR CG2 C 22.885 0.300 1 1162 106 106 THR N N 108.294 0.300 1 1163 107 107 GLY H H 8.217 0.030 1 1164 107 107 GLY HA2 H 4.529 0.030 2 1165 107 107 GLY HA3 H 3.688 0.030 2 1166 107 107 GLY C C 174.300 0.300 1 1167 107 107 GLY CA C 45.132 0.300 1 1168 107 107 GLY N N 109.979 0.300 1 1169 108 108 GLU H H 8.242 0.030 1 1170 108 108 GLU HA H 4.273 0.030 1 1171 108 108 GLU HB2 H 1.970 0.030 1 1172 108 108 GLU HB3 H 1.970 0.030 1 1173 108 108 GLU HG2 H 2.275 0.030 1 1174 108 108 GLU HG3 H 2.275 0.030 1 1175 108 108 GLU C C 175.030 0.300 1 1176 108 108 GLU CA C 57.564 0.300 1 1177 108 108 GLU CB C 30.175 0.300 1 1178 108 108 GLU CG C 36.545 0.300 1 1179 108 108 GLU N N 122.150 0.300 1 1180 109 109 LYS H H 8.240 0.030 1 1181 109 109 LYS HA H 5.584 0.030 1 1182 109 109 LYS HB2 H 1.459 0.030 2 1183 109 109 LYS HB3 H 1.220 0.030 2 1184 109 109 LYS HD2 H 1.590 0.030 1 1185 109 109 LYS HD3 H 1.590 0.030 1 1186 109 109 LYS HE2 H 2.990 0.030 1 1187 109 109 LYS HE3 H 2.990 0.030 1 1188 109 109 LYS HG2 H 1.389 0.030 2 1189 109 109 LYS HG3 H 1.299 0.030 2 1190 109 109 LYS C C 176.321 0.300 1 1191 109 109 LYS CA C 54.736 0.300 1 1192 109 109 LYS CB C 36.659 0.300 1 1193 109 109 LYS CD C 29.627 0.300 1 1194 109 109 LYS CE C 42.458 0.300 1 1195 109 109 LYS CG C 25.215 0.300 1 1196 109 109 LYS N N 121.119 0.300 1 1197 110 110 VAL H H 8.610 0.030 1 1198 110 110 VAL HA H 4.218 0.030 1 1199 110 110 VAL HB H 1.801 0.030 1 1200 110 110 VAL HG1 H 0.903 0.030 1 1201 110 110 VAL HG2 H 0.903 0.030 1 1202 110 110 VAL C C 173.028 0.300 1 1203 110 110 VAL CA C 60.603 0.300 1 1204 110 110 VAL CB C 35.709 0.300 1 1205 110 110 VAL CG1 C 20.995 0.300 2 1206 110 110 VAL CG2 C 20.995 0.300 2 1207 110 110 VAL N N 120.235 0.300 1 1208 111 111 PHE H H 8.492 0.030 1 1209 111 111 PHE HA H 5.494 0.030 1 1210 111 111 PHE HB2 H 2.863 0.030 1 1211 111 111 PHE HB3 H 2.863 0.030 1 1212 111 111 PHE HD1 H 7.090 0.030 1 1213 111 111 PHE HD2 H 7.090 0.030 1 1214 111 111 PHE HE1 H 7.248 0.030 1 1215 111 111 PHE HE2 H 7.248 0.030 1 1216 111 111 PHE HZ H 7.213 0.030 1 1217 111 111 PHE C C 175.944 0.300 1 1218 111 111 PHE CA C 55.619 0.300 1 1219 111 111 PHE CB C 42.097 0.300 1 1220 111 111 PHE CD1 C 131.705 0.300 1 1221 111 111 PHE CD2 C 131.705 0.300 1 1222 111 111 PHE CE1 C 131.273 0.300 1 1223 111 111 PHE CE2 C 131.273 0.300 1 1224 111 111 PHE CZ C 129.551 0.300 1 1225 111 111 PHE N N 121.322 0.300 1 1226 112 112 VAL H H 8.588 0.030 1 1227 112 112 VAL HA H 4.209 0.030 1 1228 112 112 VAL HB H 1.668 0.030 1 1229 112 112 VAL HG1 H 0.650 0.030 1 1230 112 112 VAL HG2 H 0.609 0.030 1 1231 112 112 VAL C C 176.357 0.300 1 1232 112 112 VAL CA C 60.771 0.300 1 1233 112 112 VAL CB C 34.746 0.300 1 1234 112 112 VAL CG1 C 19.563 0.300 2 1235 112 112 VAL CG2 C 19.398 0.300 2 1236 112 112 VAL N N 122.668 0.300 1 1237 113 113 SER H H 8.459 0.030 1 1238 113 113 SER HA H 4.470 0.030 1 1239 113 113 SER HB2 H 3.890 0.030 1 1240 113 113 SER HB3 H 3.890 0.030 1 1241 113 113 SER C C 171.577 0.300 1 1242 113 113 SER CA C 60.524 0.300 1 1243 113 113 SER CB C 63.899 0.300 1 1244 113 113 SER N N 124.541 0.300 1 1245 114 114 LEU H H 8.049 0.030 1 1246 114 114 LEU HA H 4.993 0.030 1 1247 114 114 LEU HB2 H 0.173 0.030 2 1248 114 114 LEU HB3 H 0.130 0.030 2 1249 114 114 LEU HD1 H 0.071 0.030 1 1250 114 114 LEU HD2 H 0.620 0.030 1 1251 114 114 LEU HG H 1.150 0.030 1 1252 114 114 LEU C C 175.662 0.300 1 1253 114 114 LEU CA C 52.812 0.300 1 1254 114 114 LEU CB C 44.299 0.300 1 1255 114 114 LEU CD1 C 26.174 0.300 2 1256 114 114 LEU CD2 C 24.610 0.300 2 1257 114 114 LEU CG C 25.721 0.300 1 1258 114 114 LEU N N 123.151 0.300 1 1259 115 115 TYR H H 8.129 0.030 1 1260 115 115 TYR HA H 5.490 0.030 1 1261 115 115 TYR HB2 H 3.051 0.030 2 1262 115 115 TYR HB3 H 2.941 0.030 2 1263 115 115 TYR HD1 H 7.089 0.030 1 1264 115 115 TYR HD2 H 7.089 0.030 1 1265 115 115 TYR HE1 H 6.679 0.030 1 1266 115 115 TYR HE2 H 6.679 0.030 1 1267 115 115 TYR C C 174.220 0.300 1 1268 115 115 TYR CA C 56.659 0.300 1 1269 115 115 TYR CB C 42.622 0.300 1 1270 115 115 TYR CD1 C 133.476 0.300 1 1271 115 115 TYR CD2 C 133.476 0.300 1 1272 115 115 TYR CE1 C 117.666 0.300 1 1273 115 115 TYR CE2 C 117.666 0.300 1 1274 115 115 TYR N N 119.430 0.300 1 1275 116 116 GLY H H 8.281 0.030 1 1276 116 116 GLY HA2 H 4.141 0.030 2 1277 116 116 GLY HA3 H 3.050 0.030 2 1278 116 116 GLY C C 169.262 0.300 1 1279 116 116 GLY CA C 46.247 0.300 1 1280 116 116 GLY N N 109.567 0.300 1 1281 117 117 ALA H H 8.489 0.030 1 1282 117 117 ALA HA H 5.560 0.030 1 1283 117 117 ALA HB H 1.489 0.030 1 1284 117 117 ALA C C 175.639 0.300 1 1285 117 117 ALA CA C 50.641 0.300 1 1286 117 117 ALA CB C 21.819 0.300 1 1287 117 117 ALA N N 124.315 0.300 1 1288 118 118 ALA H H 9.271 0.030 1 1289 118 118 ALA HA H 6.007 0.030 1 1290 118 118 ALA HB H 1.403 0.030 1 1291 118 118 ALA C C 177.848 0.300 1 1292 118 118 ALA CA C 49.610 0.300 1 1293 118 118 ALA CB C 23.958 0.300 1 1294 118 118 ALA N N 123.388 0.300 1 1295 119 119 ILE H H 8.370 0.030 1 1296 119 119 ILE HA H 4.754 0.030 1 1297 119 119 ILE HB H 1.861 0.030 1 1298 119 119 ILE HD1 H 0.800 0.030 1 1299 119 119 ILE HG12 H 1.240 0.030 2 1300 119 119 ILE HG13 H 0.812 0.030 2 1301 119 119 ILE HG2 H 0.837 0.030 1 1302 119 119 ILE C C 174.196 0.300 1 1303 119 119 ILE CA C 59.306 0.300 1 1304 119 119 ILE CB C 42.611 0.300 1 1305 119 119 ILE CD1 C 13.857 0.300 1 1306 119 119 ILE CG1 C 25.737 0.300 1 1307 119 119 ILE CG2 C 18.111 0.300 1 1308 119 119 ILE N N 117.812 0.300 1 1309 120 120 ASP H H 8.610 0.030 1 1310 120 120 ASP HA H 4.720 0.030 1 1311 120 120 ASP HB2 H 2.719 0.030 2 1312 120 120 ASP HB3 H 2.411 0.030 2 1313 120 120 ASP C C 175.995 0.300 1 1314 120 120 ASP CA C 53.959 0.300 1 1315 120 120 ASP CB C 41.656 0.300 1 1316 120 120 ASP N N 122.403 0.300 1 1317 121 121 MET H H 8.432 0.030 1 1318 121 121 MET HA H 4.508 0.030 1 1319 121 121 MET HB2 H 2.150 0.030 2 1320 121 121 MET HB3 H 1.893 0.030 2 1321 121 121 MET HE H 2.001 0.030 1 1322 121 121 MET HG2 H 2.541 0.030 2 1323 121 121 MET HG3 H 2.489 0.030 2 1324 121 121 MET C C 175.011 0.300 1 1325 121 121 MET CA C 55.230 0.300 1 1326 121 121 MET CB C 33.081 0.300 1 1327 121 121 MET CE C 16.852 0.300 1 1328 121 121 MET CG C 32.177 0.300 1 1329 121 121 MET N N 122.569 0.300 1 1330 122 122 ASN H H 8.121 0.030 1 1331 122 122 ASN HA H 4.430 0.030 1 1332 122 122 ASN HB2 H 2.679 0.030 2 1333 122 122 ASN HB3 H 2.761 0.030 2 1334 122 122 ASN HD21 H 7.583 0.030 2 1335 122 122 ASN HD22 H 6.790 0.030 2 1336 122 122 ASN C C 179.481 0.300 1 1337 122 122 ASN CA C 55.088 0.300 1 1338 122 122 ASN CB C 40.401 0.300 1 1339 122 122 ASN N N 125.412 0.300 1 1340 122 122 ASN ND2 N 113.319 0.300 1 stop_ save_