data_5976 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H-, 13C- and 15N-NMR assignment of the conserved hypothetical protein TM0487 from Thermotoga maritima ; _BMRB_accession_number 5976 _BMRB_flat_file_name bmr5976.str _Entry_type original _Submission_date 2003-10-16 _Accession_date 2003-10-17 _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 Almeida Marcius S. . 2 Peti Wolfgang . . 3 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 574 "13C chemical shifts" 463 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-06 original author . stop_ _Original_release_date 2004-07-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H-, 13C- and 15N-NMR assignment of the conserved hypothetical protein TM0487 from Thermotoga maritima ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213465 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Almeida Marcius S. . 2 Peti Wolfgang . . 3 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 453 _Page_last 454 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_TM0487 _Saveframe_category molecular_system _Mol_system_name 'hypothetical protein TM0487' _Abbreviation_common TM0487 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TM0487 monomer' $TM0487 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TM0487 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'hypothetical protein TM0487' _Abbreviation_common TM0487 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; PMSKKVTKEDVLNALKNVID FELGLDVVSLGLVYDIQIDD QNNVKVLMTMTTPMCPLAGM ILSDAEEAIKKIEGVNNVEV ELTFDPPWTPERMSPELREK FGV ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 MET 3 SER 4 LYS 5 LYS 6 VAL 7 THR 8 LYS 9 GLU 10 ASP 11 VAL 12 LEU 13 ASN 14 ALA 15 LEU 16 LYS 17 ASN 18 VAL 19 ILE 20 ASP 21 PHE 22 GLU 23 LEU 24 GLY 25 LEU 26 ASP 27 VAL 28 VAL 29 SER 30 LEU 31 GLY 32 LEU 33 VAL 34 TYR 35 ASP 36 ILE 37 GLN 38 ILE 39 ASP 40 ASP 41 GLN 42 ASN 43 ASN 44 VAL 45 LYS 46 VAL 47 LEU 48 MET 49 THR 50 MET 51 THR 52 THR 53 PRO 54 MET 55 CYS 56 PRO 57 LEU 58 ALA 59 GLY 60 MET 61 ILE 62 LEU 63 SER 64 ASP 65 ALA 66 GLU 67 GLU 68 ALA 69 ILE 70 LYS 71 LYS 72 ILE 73 GLU 74 GLY 75 VAL 76 ASN 77 ASN 78 VAL 79 GLU 80 VAL 81 GLU 82 LEU 83 THR 84 PHE 85 ASP 86 PRO 87 PRO 88 TRP 89 THR 90 PRO 91 GLU 92 ARG 93 MET 94 SER 95 PRO 96 GLU 97 LEU 98 ARG 99 GLU 100 LYS 101 PHE 102 GLY 103 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1UWD "Nmr Structure Of A Protein With Unknown Function From Thermotoga Maritima (tm0487), Which Belongs To The Duf59 Family." 100.00 103 100.00 100.00 1.63e-66 PDB 1WCJ "Conserved Hypothetical Protein Tm0487 From Thermotoga Maritima" 100.00 103 100.00 100.00 1.63e-66 GB AAD35572 "conserved hypothetical protein [Thermotoga maritima MSB8]" 100.00 104 100.00 100.00 1.70e-66 GB ABQ46457 "protein of unknown function DUF59 [Thermotoga petrophila RKU-1]" 99.03 102 99.02 100.00 2.82e-65 GB ACB08804 "protein of unknown function DUF59 [Thermotoga sp. RQ2]" 99.03 102 99.02 100.00 2.82e-65 GB ACM22360 "Putative uncharacterized protein [Thermotoga neapolitana DSM 4359]" 99.03 114 97.06 98.04 2.62e-63 GB ADA66373 "protein of unknown function DUF59 [Thermotoga naphthophila RKU-10]" 99.03 102 97.06 98.04 2.00e-63 REF NP_228297 "hypothetical protein TM0487 [Thermotoga maritima MSB8]" 100.00 104 100.00 100.00 1.70e-66 REF WP_004081479 "MULTISPECIES: protein of unknown function DUF59 [Thermotoga]" 99.03 102 100.00 100.00 1.37e-65 REF WP_010865131 "hypothetical protein [Thermotoga maritima]" 100.00 104 100.00 100.00 1.70e-66 REF WP_011943076 "MULTISPECIES: hypothetical protein [Thermotoga]" 99.03 102 99.02 100.00 2.82e-65 REF WP_012645070 "hypothetical protein [Thermotoga neapolitana]" 99.03 114 97.06 98.04 2.62e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TM0487 'Thermotoga maritima' 2336 Eubacteria . Thermotoga maritima 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 $TM0487 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_TM0487_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TM0487 . mM 2.3 4.4 '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 0.2 n/a temperature 313 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $TM0487_sample stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'TM0487 monomer' _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 . 1 PRO CD C 49.471 0.2 1 2 . 1 PRO CA C 62.164 0.2 1 3 . 1 PRO HA H 4.477 0.015 1 4 . 1 PRO CB C 32.037 0.2 1 5 . 1 PRO HB2 H 2.113 0.015 2 6 . 1 PRO HB3 H 2.524 0.015 2 7 . 1 PRO CG C 25.467 0.2 1 8 . 1 PRO HG2 H 2.112 0.015 2 9 . 1 PRO HD2 H 3.445 0.015 2 10 . 1 PRO HD3 H 3.510 0.015 2 11 . 2 MET CA C 55.775 0.2 1 12 . 2 MET HA H 4.589 0.015 1 13 . 2 MET CB C 32.356 0.2 1 14 . 2 MET HB2 H 2.075 0.015 2 15 . 2 MET HB3 H 2.179 0.015 2 16 . 2 MET CG C 32.092 0.2 1 17 . 2 MET HG2 H 2.629 0.015 2 18 . 2 MET C C 178.009 0.2 1 19 . 3 SER N N 118.118 0.1 1 20 . 3 SER H H 8.494 0.015 1 21 . 3 SER CA C 58.326 0.2 1 22 . 3 SER HA H 4.474 0.015 1 23 . 3 SER CB C 63.657 0.2 1 24 . 3 SER HB2 H 3.908 0.015 2 25 . 3 SER C C 173.903 0.2 1 26 . 4 LYS N N 122.767 0.1 1 27 . 4 LYS H H 8.119 0.015 1 28 . 4 LYS CA C 55.788 0.2 1 29 . 4 LYS HA H 4.390 0.015 1 30 . 4 LYS CB C 33.486 0.2 1 31 . 4 LYS HB2 H 1.772 0.015 2 32 . 4 LYS CG C 24.101 0.2 1 33 . 4 LYS HG2 H 1.394 0.015 2 34 . 4 LYS CD C 28.602 0.2 1 35 . 4 LYS HD2 H 1.690 0.015 2 36 . 4 LYS CE C 41.936 0.2 1 37 . 4 LYS HE2 H 3.028 0.015 2 38 . 4 LYS C C 175.451 0.2 1 39 . 5 LYS N N 125.092 0.1 1 40 . 5 LYS H H 8.461 0.015 1 41 . 5 LYS CA C 55.705 0.2 1 42 . 5 LYS HA H 4.606 0.015 1 43 . 5 LYS CB C 32.906 0.2 1 44 . 5 LYS HB2 H 1.749 0.015 2 45 . 5 LYS HB3 H 1.843 0.015 2 46 . 5 LYS CG C 24.097 0.2 1 47 . 5 LYS HG2 H 1.485 0.015 2 48 . 5 LYS CD C 27.487 0.2 1 49 . 5 LYS HD2 H 1.746 0.015 2 50 . 5 LYS CE C 41.936 0.2 1 51 . 5 LYS HE2 H 3.091 0.015 2 52 . 5 LYS C C 176.081 0.2 1 53 . 6 VAL N N 126.487 0.1 1 54 . 6 VAL H H 8.004 0.015 1 55 . 6 VAL CA C 62.618 0.2 1 56 . 6 VAL HA H 4.114 0.015 1 57 . 6 VAL CB C 32.542 0.2 1 58 . 6 VAL HB H 1.767 0.015 1 59 . 6 VAL HG1 H 0.852 0.015 2 60 . 6 VAL HG2 H 0.925 0.015 2 61 . 6 VAL CG1 C 21.543 0.2 2 62 . 6 VAL CG2 C 21.215 0.2 2 63 . 6 VAL C C 174.769 0.2 1 64 . 7 THR N N 116.259 0.1 1 65 . 7 THR H H 8.882 0.015 1 66 . 7 THR CA C 59.583 0.2 1 67 . 7 THR HA H 4.834 0.015 1 68 . 7 THR CB C 72.634 0.2 1 69 . 7 THR HB H 4.721 0.015 1 70 . 7 THR HG2 H 1.294 0.015 1 71 . 7 THR CG2 C 21.259 0.2 1 72 . 7 THR C C 175.989 0.2 1 73 . 8 LYS N N 120.908 0.1 1 74 . 8 LYS H H 8.992 0.015 1 75 . 8 LYS CA C 60.707 0.2 1 76 . 8 LYS HA H 3.764 0.015 1 77 . 8 LYS CB C 31.803 0.2 1 78 . 8 LYS HB2 H 1.933 0.015 2 79 . 8 LYS HB3 H 1.821 0.015 2 80 . 8 LYS CG C 25.792 0.2 1 81 . 8 LYS HG2 H 1.346 0.015 2 82 . 8 LYS HG3 H 1.580 0.015 2 83 . 8 LYS CD C 29.452 0.2 1 84 . 8 LYS HD2 H 1.827 0.015 2 85 . 8 LYS CE C 41.913 0.2 1 86 . 8 LYS HE2 H 3.126 0.015 2 87 . 8 LYS C C 178.035 0.2 1 88 . 9 GLU N N 117.886 0.1 1 89 . 9 GLU H H 8.485 0.015 1 90 . 9 GLU CA C 60.401 0.2 1 91 . 9 GLU HA H 3.960 0.015 1 92 . 9 GLU CB C 28.655 0.2 1 93 . 9 GLU HB2 H 1.967 0.015 2 94 . 9 GLU HB3 H 2.107 0.015 2 95 . 9 GLU CG C 36.962 0.2 1 96 . 9 GLU HG2 H 2.282 0.015 2 97 . 9 GLU HG3 H 2.467 0.015 2 98 . 9 GLU C C 178.481 0.2 1 99 . 10 ASP N N 119.513 0.1 1 100 . 10 ASP H H 7.777 0.015 1 101 . 10 ASP CA C 57.625 0.2 1 102 . 10 ASP HA H 4.436 0.015 1 103 . 10 ASP CB C 38.542 0.2 1 104 . 10 ASP HB2 H 3.223 0.015 2 105 . 10 ASP HB3 H 2.640 0.015 2 106 . 10 ASP C C 179.137 0.2 1 107 . 11 VAL N N 120.443 0.1 1 108 . 11 VAL H H 7.563 0.015 1 109 . 11 VAL CA C 66.600 0.2 1 110 . 11 VAL HA H 3.596 0.015 1 111 . 11 VAL CB C 31.169 0.2 1 112 . 11 VAL HB H 2.299 0.015 1 113 . 11 VAL HG1 H 0.900 0.015 2 114 . 11 VAL HG2 H 0.929 0.015 2 115 . 11 VAL CG1 C 21.605 0.2 2 116 . 11 VAL CG2 C 22.465 0.2 2 117 . 11 VAL C C 177.471 0.2 1 118 . 12 LEU N N 120.908 0.1 1 119 . 12 LEU H H 8.765 0.015 1 120 . 12 LEU CA C 58.575 0.2 1 121 . 12 LEU HA H 3.938 0.015 1 122 . 12 LEU CB C 41.669 0.2 1 123 . 12 LEU HB2 H 1.525 0.015 2 124 . 12 LEU HB3 H 1.885 0.015 2 125 . 12 LEU CG C 26.757 0.2 1 126 . 12 LEU HG H 1.691 0.015 1 127 . 12 LEU HD1 H 0.937 0.015 2 128 . 12 LEU HD2 H 0.933 0.015 2 129 . 12 LEU CD1 C 23.780 0.2 2 130 . 12 LEU CD2 C 24.715 0.2 2 131 . 12 LEU C C 178.743 0.2 1 132 . 13 ASN N N 115.329 0.1 1 133 . 13 ASN H H 8.347 0.015 1 134 . 13 ASN CA C 55.982 0.2 1 135 . 13 ASN HA H 4.431 0.015 1 136 . 13 ASN CB C 37.789 0.2 1 137 . 13 ASN HB2 H 2.829 0.015 2 138 . 13 ASN HB3 H 2.977 0.015 2 139 . 13 ASN ND2 N 112.274 0.1 1 140 . 13 ASN HD21 H 7.637 0.015 2 141 . 13 ASN HD22 H 6.950 0.015 2 142 . 13 ASN C C 177.969 0.2 1 143 . 14 ALA N N 122.070 0.1 1 144 . 14 ALA H H 7.632 0.015 1 145 . 14 ALA CA C 54.483 0.2 1 146 . 14 ALA HA H 4.249 0.015 1 147 . 14 ALA HB H 1.475 0.015 1 148 . 14 ALA CB C 18.424 0.2 1 149 . 14 ALA C C 180.435 0.2 1 150 . 15 LEU N N 117.189 0.1 1 151 . 15 LEU H H 8.109 0.015 1 152 . 15 LEU CA C 56.645 0.2 1 153 . 15 LEU HA H 4.061 0.015 1 154 . 15 LEU CB C 41.803 0.2 1 155 . 15 LEU HB2 H 1.322 0.015 2 156 . 15 LEU HB3 H 1.903 0.015 2 157 . 15 LEU CG C 26.396 0.2 1 158 . 15 LEU HG H 1.894 0.015 1 159 . 15 LEU HD1 H 0.846 0.015 2 160 . 15 LEU HD2 H 0.867 0.015 2 161 . 15 LEU CD1 C 26.820 0.2 2 162 . 15 LEU CD2 C 22.715 0.2 2 163 . 15 LEU C C 177.537 0.2 1 164 . 16 LYS N N 118.816 0.1 1 165 . 16 LYS H H 7.674 0.015 1 166 . 16 LYS CA C 58.196 0.2 1 167 . 16 LYS HA H 4.241 0.015 1 168 . 16 LYS CB C 31.854 0.2 1 169 . 16 LYS HB2 H 1.930 0.015 2 170 . 16 LYS CG C 25.078 0.2 1 171 . 16 LYS HG2 H 1.577 0.015 2 172 . 16 LYS HG3 H 1.782 0.015 2 173 . 16 LYS CD C 29.099 0.2 1 174 . 16 LYS HD2 H 1.769 0.015 2 175 . 16 LYS CE C 41.954 0.2 1 176 . 16 LYS HE2 H 2.974 0.015 2 177 . 16 LYS HE3 H 3.042 0.015 2 178 . 16 LYS C C 175.595 0.2 1 179 . 17 ASN N N 112.075 0.1 1 180 . 17 ASN H H 7.236 0.015 1 181 . 17 ASN CA C 52.951 0.2 1 182 . 17 ASN HA H 4.808 0.015 1 183 . 17 ASN CB C 39.538 0.2 1 184 . 17 ASN HB2 H 2.748 0.015 2 185 . 17 ASN HB3 H 3.053 0.015 2 186 . 17 ASN ND2 N 114.722 0.1 1 187 . 17 ASN HD21 H 7.584 0.015 2 188 . 17 ASN HD22 H 6.988 0.015 2 189 . 17 ASN C C 174.481 0.2 1 190 . 18 VAL N N 122.767 0.1 1 191 . 18 VAL H H 8.028 0.015 1 192 . 18 VAL CA C 62.788 0.2 1 193 . 18 VAL HA H 4.107 0.015 1 194 . 18 VAL CB C 30.429 0.2 1 195 . 18 VAL HB H 2.505 0.015 1 196 . 18 VAL HG1 H 0.967 0.015 2 197 . 18 VAL HG2 H 0.898 0.015 2 198 . 18 VAL CG1 C 21.470 0.2 2 199 . 18 VAL CG2 C 22.249 0.2 2 200 . 18 VAL C C 173.707 0.2 1 201 . 19 ILE N N 126.487 0.1 1 202 . 19 ILE H H 8.316 0.015 1 203 . 19 ILE CA C 58.317 0.2 1 204 . 19 ILE HA H 4.184 0.015 1 205 . 19 ILE CB C 39.239 0.2 1 206 . 19 ILE HB H 1.457 0.015 1 207 . 19 ILE HG2 H 0.336 0.015 1 208 . 19 ILE CG2 C 16.169 0.2 1 209 . 19 ILE CG1 C 26.451 0.2 1 210 . 19 ILE HG12 H 1.179 0.015 2 211 . 19 ILE HG13 H 1.127 0.015 2 212 . 19 ILE HD1 H 0.589 0.015 1 213 . 19 ILE CD1 C 10.407 0.2 1 214 . 19 ILE C C 175.582 0.2 1 215 . 20 ASP N N 122.280 0.1 1 216 . 20 ASP H H 8.034 0.015 1 217 . 20 ASP CA C 52.366 0.2 1 218 . 20 ASP HA H 4.469 0.015 1 219 . 20 ASP CB C 39.948 0.2 1 220 . 20 ASP HB2 H 2.200 0.015 2 221 . 20 ASP HB3 H 2.836 0.015 2 222 . 20 ASP C C 176.946 0.2 1 223 . 21 PHE N N 125.789 0.1 1 224 . 21 PHE H H 8.109 0.015 1 225 . 21 PHE CA C 60.718 0.2 1 226 . 21 PHE HA H 4.099 0.015 1 227 . 21 PHE CB C 38.888 0.2 1 228 . 21 PHE HB2 H 3.057 0.015 2 229 . 21 PHE HB3 H 3.246 0.015 2 230 . 21 PHE HD2 H 7.345 0.015 3 231 . 21 PHE HE2 H 7.457 0.015 3 232 . 21 PHE CD1 C 131.893 0.2 1 233 . 21 PHE CE1 C 131.893 0.2 1 234 . 21 PHE CZ C 130.838 0.2 1 235 . 21 PHE HZ H 7.449 0.015 1 236 . 21 PHE CE2 C 131.893 0.2 1 237 . 21 PHE CD2 C 131.893 0.2 1 238 . 21 PHE C C 176.632 0.2 1 239 . 22 GLU N N 118.583 0.1 1 240 . 22 GLU H H 8.184 0.015 1 241 . 22 GLU CA C 58.658 0.2 1 242 . 22 GLU HA H 4.177 0.015 1 243 . 22 GLU CB C 29.376 0.2 1 244 . 22 GLU HB2 H 2.135 0.015 2 245 . 22 GLU CG C 35.891 0.2 1 246 . 22 GLU HG2 H 2.236 0.015 2 247 . 22 GLU HG3 H 2.302 0.015 2 248 . 22 GLU C C 177.523 0.2 1 249 . 23 LEU N N 115.794 0.1 1 250 . 23 LEU H H 7.497 0.015 1 251 . 23 LEU CA C 54.651 0.2 1 252 . 23 LEU HA H 4.502 0.015 1 253 . 23 LEU CB C 44.455 0.2 1 254 . 23 LEU HB2 H 1.496 0.015 2 255 . 23 LEU HB3 H 1.547 0.015 2 256 . 23 LEU CG C 26.944 0.2 1 257 . 23 LEU HG H 1.595 0.015 1 258 . 23 LEU HD1 H 0.845 0.015 2 259 . 23 LEU HD2 H 0.844 0.015 2 260 . 23 LEU CD1 C 26.389 0.2 2 261 . 23 LEU CD2 C 22.465 0.2 2 262 . 23 LEU C C 177.655 0.2 1 263 . 24 GLY N N 107.658 0.1 1 264 . 24 GLY H H 8.577 0.015 1 265 . 24 GLY CA C 46.025 0.2 1 266 . 24 GLY HA2 H 3.568 0.015 2 267 . 24 GLY HA3 H 4.061 0.015 2 268 . 24 GLY C C 173.235 0.2 1 269 . 25 LEU N N 117.189 0.1 1 270 . 25 LEU H H 6.594 0.015 1 271 . 25 LEU CA C 52.316 0.2 1 272 . 25 LEU HA H 4.888 0.015 1 273 . 25 LEU CB C 46.575 0.2 1 274 . 25 LEU HB2 H 1.373 0.015 2 275 . 25 LEU HB3 H 1.506 0.015 2 276 . 25 LEU CG C 26.221 0.2 1 277 . 25 LEU HG H 1.663 0.015 1 278 . 25 LEU HD1 H 1.660 0.015 2 279 . 25 LEU HD2 H 1.029 0.015 2 280 . 25 LEU CD1 C 26.171 0.2 2 281 . 25 LEU CD2 C 23.303 0.2 2 282 . 25 LEU C C 174.717 0.2 1 283 . 26 ASP N N 119.978 0.1 1 284 . 26 ASP H H 8.369 0.015 1 285 . 26 ASP CA C 53.715 0.2 1 286 . 26 ASP HA H 5.287 0.015 1 287 . 26 ASP CB C 43.639 0.2 1 288 . 26 ASP HB2 H 2.471 0.015 2 289 . 26 ASP HB3 H 3.074 0.015 2 290 . 26 ASP C C 176.566 0.2 1 291 . 27 VAL N N 109.750 0.1 1 292 . 27 VAL H H 8.344 0.015 1 293 . 27 VAL CA C 64.570 0.2 1 294 . 27 VAL HA H 3.851 0.015 1 295 . 27 VAL CB C 31.256 0.2 1 296 . 27 VAL HB H 2.233 0.015 1 297 . 27 VAL HG1 H 0.922 0.015 2 298 . 27 VAL HG2 H 1.035 0.015 2 299 . 27 VAL CG1 C 21.889 0.2 2 300 . 27 VAL CG2 C 17.965 0.2 2 301 . 27 VAL C C 176.264 0.2 1 302 . 28 VAL N N 122.767 0.1 1 303 . 28 VAL H H 8.325 0.015 1 304 . 28 VAL CA C 65.698 0.2 1 305 . 28 VAL HA H 4.000 0.015 1 306 . 28 VAL CB C 31.016 0.2 1 307 . 28 VAL HB H 2.422 0.015 1 308 . 28 VAL HG1 H 1.032 0.015 2 309 . 28 VAL HG2 H 1.034 0.015 2 310 . 28 VAL CG1 C 23.333 0.2 2 311 . 28 VAL CG2 C 20.965 0.2 2 312 . 28 VAL C C 181.445 0.2 1 313 . 29 SER N N 124.627 0.1 1 314 . 29 SER H H 9.999 0.015 1 315 . 29 SER CA C 62.104 0.2 1 316 . 29 SER HA H 3.970 0.015 1 317 . 29 SER CB C 62.186 0.2 1 318 . 29 SER HB2 H 4.272 0.015 2 319 . 29 SER C C 175.451 0.2 1 320 . 30 LEU N N 116.724 0.1 1 321 . 30 LEU H H 7.749 0.015 1 322 . 30 LEU CA C 55.848 0.2 1 323 . 30 LEU HA H 4.195 0.015 1 324 . 30 LEU CB C 44.643 0.2 1 325 . 30 LEU HB2 H 1.441 0.015 2 326 . 30 LEU HB3 H 1.682 0.015 2 327 . 30 LEU CG C 26.458 0.2 1 328 . 30 LEU HG H 1.640 0.015 1 329 . 30 LEU HD1 H 0.756 0.015 2 330 . 30 LEU HD2 H 0.848 0.015 2 331 . 30 LEU CD1 C 26.393 0.2 2 332 . 30 LEU CD2 C 24.709 0.2 2 333 . 30 LEU C C 176.054 0.2 1 334 . 31 GLY N N 106.031 0.1 1 335 . 31 GLY H H 8.054 0.015 1 336 . 31 GLY CA C 46.565 0.2 1 337 . 31 GLY HA2 H 4.282 0.015 2 338 . 31 GLY C C 176.540 0.2 1 339 . 32 LEU N N 114.399 0.1 1 340 . 32 LEU H H 8.016 0.015 1 341 . 32 LEU CA C 55.102 0.2 1 342 . 32 LEU HA H 4.173 0.015 1 343 . 32 LEU CB C 40.176 0.2 1 344 . 32 LEU HB2 H 1.630 0.015 2 345 . 32 LEU HB3 H 2.057 0.015 2 346 . 32 LEU CG C 26.055 0.2 1 347 . 32 LEU HG H 1.515 0.015 1 348 . 32 LEU HD1 H 0.925 0.015 2 349 . 32 LEU HD2 H 0.099 0.015 2 350 . 32 LEU CD1 C 24.084 0.2 2 351 . 32 LEU CD2 C 20.491 0.2 2 352 . 32 LEU C C 176.304 0.2 1 353 . 33 VAL N N 116.259 0.1 1 354 . 33 VAL H H 8.087 0.015 1 355 . 33 VAL CA C 62.939 0.2 1 356 . 33 VAL HA H 3.970 0.015 1 357 . 33 VAL CB C 30.494 0.2 1 358 . 33 VAL HB H 2.370 0.015 1 359 . 33 VAL CG1 C 21.490 0.2 2 360 . 33 VAL CG2 C 21.215 0.2 2 361 . 33 VAL HG1 H 0.842 0.015 2 362 . 33 VAL C C 175.661 0.2 1 363 . 34 TYR N N 130.671 0.1 1 364 . 34 TYR H H 9.039 0.015 1 365 . 34 TYR CA C 56.401 0.2 1 366 . 34 TYR HA H 4.842 0.015 1 367 . 34 TYR CB C 37.104 0.2 1 368 . 34 TYR HB2 H 3.091 0.015 2 369 . 34 TYR HB3 H 2.785 0.015 2 370 . 34 TYR HD2 H 6.777 0.015 3 371 . 34 TYR HE2 H 6.861 0.015 3 372 . 34 TYR CD1 C 130.135 0.2 1 373 . 34 TYR CE1 C 118.534 0.2 1 374 . 34 TYR CE2 C 118.534 0.2 1 375 . 34 TYR CD2 C 130.135 0.2 1 376 . 34 TYR C C 176.579 0.2 1 377 . 35 ASP N N 116.724 0.1 1 378 . 35 ASP H H 8.059 0.015 1 379 . 35 ASP CA C 54.570 0.2 1 380 . 35 ASP HA H 4.961 0.015 1 381 . 35 ASP CB C 44.523 0.2 1 382 . 35 ASP HB2 H 2.544 0.015 2 383 . 35 ASP HB3 H 2.828 0.015 2 384 . 35 ASP C C 173.930 0.2 1 385 . 36 ILE N N 123.000 0.1 1 386 . 36 ILE H H 8.125 0.015 1 387 . 36 ILE CA C 61.072 0.2 1 388 . 36 ILE HA H 4.651 0.015 1 389 . 36 ILE CB C 42.119 0.2 1 390 . 36 ILE HB H 1.610 0.015 1 391 . 36 ILE HG2 H 0.841 0.015 1 392 . 36 ILE CG2 C 17.425 0.2 1 393 . 36 ILE CG1 C 27.511 0.2 1 394 . 36 ILE HG12 H 1.617 0.015 2 395 . 36 ILE HD1 H 0.897 0.015 1 396 . 36 ILE CD1 C 14.765 0.2 1 397 . 36 ILE C C 173.812 0.2 1 398 . 37 GLN N N 126.487 0.1 1 399 . 37 GLN H H 9.346 0.015 1 400 . 37 GLN CA C 54.074 0.2 1 401 . 37 GLN HA H 4.754 0.015 1 402 . 37 GLN CB C 31.089 0.2 1 403 . 37 GLN HB2 H 2.150 0.015 2 404 . 37 GLN HB3 H 1.952 0.015 2 405 . 37 GLN CG C 32.661 0.2 1 406 . 37 GLN HG2 H 2.333 0.015 2 407 . 37 GLN HG3 H 2.399 0.015 2 408 . 37 GLN NE2 N 112.206 0.1 1 409 . 37 GLN HE21 H 8.032 0.015 2 410 . 37 GLN HE22 H 6.704 0.015 2 411 . 37 GLN C C 174.481 0.2 1 412 . 38 ILE N N 124.859 0.1 1 413 . 38 ILE H H 8.546 0.015 1 414 . 38 ILE CA C 60.336 0.2 1 415 . 38 ILE HA H 5.133 0.015 1 416 . 38 ILE CB C 41.181 0.2 1 417 . 38 ILE HB H 1.700 0.015 1 418 . 38 ILE HG2 H 1.107 0.015 1 419 . 38 ILE CG2 C 17.428 0.2 1 420 . 38 ILE CG1 C 28.115 0.2 1 421 . 38 ILE HG12 H 0.896 0.015 2 422 . 38 ILE HG13 H 1.464 0.015 2 423 . 38 ILE HD1 H 0.707 0.015 1 424 . 38 ILE CD1 C 14.839 0.2 1 425 . 38 ILE C C 176.369 0.2 1 426 . 39 ASP N N 128.114 0.1 1 427 . 39 ASP H H 8.315 0.015 1 428 . 39 ASP CA C 52.348 0.2 1 429 . 39 ASP HA H 5.035 0.015 1 430 . 39 ASP CB C 41.425 0.2 1 431 . 39 ASP HB2 H 2.871 0.015 2 432 . 39 ASP HB3 H 3.456 0.015 2 433 . 39 ASP C C 177.878 0.2 1 434 . 40 ASP N N 115.794 0.1 1 435 . 40 ASP H H 8.325 0.015 1 436 . 40 ASP CA C 56.087 0.2 1 437 . 40 ASP HA H 4.521 0.015 1 438 . 40 ASP CB C 40.134 0.2 1 439 . 40 ASP HB2 H 2.822 0.015 2 440 . 40 ASP C C 176.500 0.2 1 441 . 41 GLN N N 118.816 0.1 1 442 . 41 GLN H H 8.287 0.015 1 443 . 41 GLN CA C 54.682 0.2 1 444 . 41 GLN HA H 4.494 0.015 1 445 . 41 GLN CB C 28.951 0.2 1 446 . 41 GLN HB2 H 1.984 0.015 2 447 . 41 GLN HB3 H 2.418 0.015 2 448 . 41 GLN CG C 33.878 0.2 1 449 . 41 GLN HG2 H 2.361 0.015 2 450 . 41 GLN NE2 N 112.107 0.1 1 451 . 41 GLN HE21 H 7.482 0.015 2 452 . 41 GLN HE22 H 6.794 0.015 2 453 . 41 GLN C C 174.808 0.2 1 454 . 42 ASN N N 110.912 0.1 1 455 . 42 ASN H H 8.051 0.015 1 456 . 42 ASN CA C 54.676 0.2 1 457 . 42 ASN HA H 4.140 0.015 1 458 . 42 ASN CB C 36.651 0.2 1 459 . 42 ASN HB2 H 3.146 0.015 2 460 . 42 ASN HB3 H 3.381 0.015 2 461 . 42 ASN ND2 N 112.866 0.1 1 462 . 42 ASN HD21 H 7.205 0.015 1 463 . 42 ASN HD22 H 7.205 0.015 1 464 . 42 ASN C C 174.822 0.2 1 465 . 43 ASN N N 117.653 0.1 1 466 . 43 ASN H H 8.868 0.015 1 467 . 43 ASN CA C 53.317 0.2 1 468 . 43 ASN HA H 5.414 0.015 1 469 . 43 ASN CB C 37.584 0.2 1 470 . 43 ASN HB2 H 2.724 0.015 2 471 . 43 ASN HB3 H 2.951 0.015 2 472 . 43 ASN ND2 N 119.747 0.1 1 473 . 43 ASN HD21 H 9.285 0.015 2 474 . 43 ASN HD22 H 7.000 0.015 2 475 . 43 ASN C C 175.582 0.2 1 476 . 44 VAL N N 123.232 0.1 1 477 . 44 VAL H H 8.963 0.015 1 478 . 44 VAL CA C 61.140 0.2 1 479 . 44 VAL HA H 4.817 0.015 1 480 . 44 VAL CB C 34.984 0.2 1 481 . 44 VAL HB H 1.931 0.015 1 482 . 44 VAL HG1 H 0.914 0.015 2 483 . 44 VAL HG2 H 0.913 0.015 2 484 . 44 VAL CG1 C 22.360 0.2 2 485 . 44 VAL CG2 C 22.362 0.2 2 486 . 44 VAL C C 174.638 0.2 1 487 . 45 LYS N N 130.206 0.1 1 488 . 45 LYS H H 9.338 0.015 1 489 . 45 LYS CA C 54.511 0.2 1 490 . 45 LYS HA H 5.540 0.015 1 491 . 45 LYS CB C 34.673 0.2 1 492 . 45 LYS HB2 H 1.708 0.015 2 493 . 45 LYS HB3 H 1.792 0.015 2 494 . 45 LYS CG C 24.986 0.2 1 495 . 45 LYS HG2 H 1.204 0.015 2 496 . 45 LYS HG3 H 1.303 0.015 2 497 . 45 LYS CD C 28.914 0.2 1 498 . 45 LYS HD2 H 1.632 0.015 2 499 . 45 LYS CE C 41.966 0.2 1 500 . 45 LYS HE2 H 2.846 0.015 2 501 . 45 LYS C C 175.215 0.2 1 502 . 46 VAL N N 126.719 0.1 1 503 . 46 VAL H H 8.978 0.015 1 504 . 46 VAL CA C 60.249 0.2 1 505 . 46 VAL HA H 4.864 0.015 1 506 . 46 VAL CB C 34.996 0.2 1 507 . 46 VAL HB H 1.945 0.015 1 508 . 46 VAL HG1 H 0.943 0.015 2 509 . 46 VAL HG2 H 0.930 0.015 2 510 . 46 VAL CG1 C 21.492 0.2 2 511 . 46 VAL CG2 C 22.715 0.2 2 512 . 46 VAL C C 173.248 0.2 1 513 . 47 LEU N N 129.276 0.1 1 514 . 47 LEU H H 8.748 0.015 1 515 . 47 LEU CA C 53.280 0.2 1 516 . 47 LEU HA H 5.212 0.015 1 517 . 47 LEU CB C 44.259 0.2 1 518 . 47 LEU HB2 H 1.553 0.015 2 519 . 47 LEU HB3 H 1.702 0.015 2 520 . 47 LEU CG C 27.236 0.2 1 521 . 47 LEU HG H 1.542 0.015 1 522 . 47 LEU HD1 H 1.014 0.015 2 523 . 47 LEU HD2 H 0.943 0.015 2 524 . 47 LEU CD1 C 25.001 0.2 2 525 . 47 LEU CD2 C 23.715 0.2 2 526 . 47 LEU C C 175.359 0.2 1 527 . 48 MET N N 125.557 0.1 1 528 . 48 MET H H 9.153 0.015 1 529 . 48 MET CA C 53.633 0.2 1 530 . 48 MET HA H 5.247 0.015 1 531 . 48 MET CB C 37.821 0.2 1 532 . 48 MET HB2 H 1.688 0.015 2 533 . 48 MET HB3 H 1.893 0.015 2 534 . 48 MET CG C 31.677 0.2 1 535 . 48 MET HG2 H 2.255 0.015 2 536 . 48 MET HG3 H 2.327 0.015 2 537 . 48 MET C C 172.238 0.2 1 538 . 49 THR N N 116.026 0.1 1 539 . 49 THR H H 8.282 0.015 1 540 . 49 THR CA C 58.345 0.2 1 541 . 49 THR HA H 4.654 0.015 1 542 . 49 THR CB C 71.799 0.2 1 543 . 49 THR HB H 2.986 0.015 1 544 . 49 THR HG2 H 1.150 0.015 1 545 . 49 THR CG2 C 18.346 0.2 1 546 . 49 THR C C 172.067 0.2 1 547 . 50 MET N N 112.075 0.1 1 548 . 50 MET H H 7.631 0.015 1 549 . 50 MET CA C 51.544 0.2 1 550 . 50 MET HA H 5.143 0.015 1 551 . 50 MET CB C 38.283 0.2 1 552 . 50 MET HB2 H 2.024 0.015 2 553 . 50 MET HB3 H 2.170 0.015 2 554 . 50 MET CG C 33.515 0.2 1 555 . 50 MET HG2 H 3.273 0.015 2 556 . 50 MET HG3 H 2.159 0.015 2 557 . 50 MET HE H 2.037 0.015 1 558 . 50 MET CE C 19.436 0.2 1 559 . 50 MET C C 176.409 0.2 1 560 . 51 THR N N 110.215 0.1 1 561 . 51 THR H H 8.629 0.015 1 562 . 51 THR CA C 64.493 0.2 1 563 . 51 THR HA H 3.178 0.015 1 564 . 51 THR CB C 68.265 0.2 1 565 . 51 THR HB H 3.575 0.015 1 566 . 51 THR HG2 H 0.088 0.015 1 567 . 51 THR CG2 C 20.880 0.2 1 568 . 51 THR C C 175.307 0.2 1 569 . 52 THR N N 108.588 0.1 1 570 . 52 THR H H 7.103 0.015 1 571 . 52 THR CA C 58.639 0.2 1 572 . 52 THR HA H 5.036 0.015 1 573 . 52 THR CB C 70.574 0.2 1 574 . 52 THR HB H 4.389 0.015 1 575 . 52 THR HG2 H 1.201 0.015 1 576 . 52 THR CG2 C 21.195 0.2 1 577 . 53 PRO CD C 50.533 0.2 1 578 . 53 PRO CA C 63.572 0.2 1 579 . 53 PRO HA H 4.067 0.015 1 580 . 53 PRO CB C 31.105 0.2 1 581 . 53 PRO HB2 H 1.548 0.015 2 582 . 53 PRO CG C 27.200 0.2 1 583 . 53 PRO HG2 H 1.669 0.015 2 584 . 53 PRO HG3 H 1.852 0.015 2 585 . 53 PRO HD2 H 3.824 0.015 2 586 . 53 PRO HD3 H 4.054 0.015 2 587 . 53 PRO C C 176.566 0.2 1 588 . 54 MET N N 115.329 0.1 1 589 . 54 MET H H 7.662 0.015 1 590 . 54 MET CA C 54.778 0.2 1 591 . 54 MET HA H 4.374 0.015 1 592 . 54 MET CB C 30.503 0.2 1 593 . 54 MET HB2 H 1.858 0.015 2 594 . 54 MET HB3 H 2.019 0.015 2 595 . 54 MET CG C 31.696 0.2 1 596 . 54 MET HG2 H 2.330 0.015 2 597 . 54 MET C C 174.913 0.2 1 598 . 55 CYS N N 121.140 0.1 1 599 . 55 CYS H H 7.451 0.015 1 600 . 55 CYS CA C 56.744 0.2 1 601 . 55 CYS HA H 4.513 0.015 1 602 . 55 CYS CB C 27.832 0.2 1 603 . 55 CYS HB2 H 2.757 0.015 2 604 . 55 CYS HB3 H 3.305 0.015 2 605 . 56 PRO CD C 51.703 0.2 1 606 . 56 PRO CA C 64.624 0.2 1 607 . 56 PRO HA H 4.601 0.015 1 608 . 56 PRO CB C 31.859 0.2 1 609 . 56 PRO HB2 H 2.118 0.015 2 610 . 56 PRO HB3 H 2.455 0.015 2 611 . 56 PRO CG C 26.898 0.2 1 612 . 56 PRO HG2 H 2.052 0.015 2 613 . 56 PRO HG3 H 2.144 0.015 2 614 . 56 PRO HD2 H 4.003 0.015 2 615 . 56 PRO HD3 H 3.983 0.015 2 616 . 56 PRO C C 177.182 0.2 1 617 . 57 LEU N N 117.653 0.1 1 618 . 57 LEU H H 7.738 0.015 1 619 . 57 LEU CA C 53.826 0.2 1 620 . 57 LEU HA H 4.754 0.015 1 621 . 57 LEU CB C 41.227 0.2 1 622 . 57 LEU HB2 H 1.705 0.015 2 623 . 57 LEU HB3 H 2.031 0.015 2 624 . 57 LEU CG C 27.093 0.2 1 625 . 57 LEU HG H 1.665 0.015 1 626 . 57 LEU HD1 H 1.021 0.015 2 627 . 57 LEU HD2 H 0.935 0.015 2 628 . 57 LEU CD1 C 26.051 0.2 2 629 . 57 LEU CD2 C 22.465 0.2 2 630 . 57 LEU C C 176.514 0.2 1 631 . 58 ALA N N 122.535 0.1 1 632 . 58 ALA H H 7.479 0.015 1 633 . 58 ALA CA C 56.771 0.2 1 634 . 58 ALA HA H 4.295 0.015 1 635 . 58 ALA HB H 1.589 0.015 1 636 . 58 ALA CB C 19.789 0.2 1 637 . 58 ALA C C 178.651 0.2 1 638 . 59 GLY N N 102.312 0.1 1 639 . 59 GLY H H 8.657 0.015 1 640 . 59 GLY CA C 47.106 0.2 1 641 . 59 GLY HA2 H 3.944 0.015 2 642 . 59 GLY HA3 H 3.839 0.015 2 643 . 59 GLY C C 176.684 0.2 1 644 . 60 MET N N 122.535 0.1 1 645 . 60 MET H H 7.708 0.015 1 646 . 60 MET CA C 58.565 0.2 1 647 . 60 MET HA H 4.291 0.015 1 648 . 60 MET CB C 32.851 0.2 1 649 . 60 MET HB2 H 2.280 0.015 2 650 . 60 MET HB3 H 2.310 0.015 2 651 . 60 MET CG C 31.736 0.2 1 652 . 60 MET HG2 H 2.682 0.015 2 653 . 60 MET HG3 H 2.738 0.015 2 654 . 60 MET C C 177.746 0.2 1 655 . 61 ILE N N 120.675 0.1 1 656 . 61 ILE H H 8.188 0.015 1 657 . 61 ILE CA C 65.281 0.2 1 658 . 61 ILE HA H 3.860 0.015 1 659 . 61 ILE CB C 37.812 0.2 1 660 . 61 ILE HB H 1.790 0.015 1 661 . 61 ILE HG2 H 0.744 0.015 1 662 . 61 ILE CG2 C 17.345 0.2 1 663 . 61 ILE CG1 C 29.045 0.2 1 664 . 61 ILE HG12 H 1.063 0.015 2 665 . 61 ILE HG13 H 1.944 0.015 2 666 . 61 ILE HD1 H 0.817 0.015 1 667 . 61 ILE CD1 C 13.441 0.2 1 668 . 61 ILE C C 177.917 0.2 1 669 . 62 LEU N N 118.816 0.1 1 670 . 62 LEU H H 8.437 0.015 1 671 . 62 LEU CA C 58.649 0.2 1 672 . 62 LEU HA H 3.893 0.015 1 673 . 62 LEU CB C 41.299 0.2 1 674 . 62 LEU HB2 H 1.608 0.015 2 675 . 62 LEU HB3 H 1.879 0.015 2 676 . 62 LEU CG C 27.035 0.2 1 677 . 62 LEU HG H 1.856 0.015 1 678 . 62 LEU HD1 H 0.908 0.015 2 679 . 62 LEU HD2 H 0.747 0.015 2 680 . 62 LEU CD1 C 25.147 0.2 2 681 . 62 LEU CD2 C 22.965 0.2 2 682 . 62 LEU C C 179.753 0.2 1 683 . 63 SER N N 113.934 0.1 1 684 . 63 SER H H 7.848 0.015 1 685 . 63 SER CA C 61.484 0.2 1 686 . 63 SER HA H 4.377 0.015 1 687 . 63 SER CB C 62.823 0.2 1 688 . 63 SER HB2 H 4.102 0.015 2 689 . 63 SER C C 177.051 0.2 1 690 . 64 ASP N N 123.232 0.1 1 691 . 64 ASP H H 8.622 0.015 1 692 . 64 ASP CA C 57.193 0.2 1 693 . 64 ASP HA H 4.501 0.015 1 694 . 64 ASP CB C 39.919 0.2 1 695 . 64 ASP HB2 H 2.702 0.015 2 696 . 64 ASP HB3 H 3.057 0.015 2 697 . 64 ASP C C 179.452 0.2 1 698 . 65 ALA N N 123.232 0.1 1 699 . 65 ALA H H 8.894 0.015 1 700 . 65 ALA CA C 55.405 0.2 1 701 . 65 ALA HA H 4.070 0.015 1 702 . 65 ALA HB H 1.466 0.015 1 703 . 65 ALA CB C 17.769 0.2 1 704 . 65 ALA C C 178.153 0.2 1 705 . 66 GLU N N 117.886 0.1 1 706 . 66 GLU H H 8.140 0.015 1 707 . 66 GLU CA C 60.071 0.2 1 708 . 66 GLU HA H 3.683 0.015 1 709 . 66 GLU CB C 29.614 0.2 1 710 . 66 GLU HB2 H 2.218 0.015 2 711 . 66 GLU HB3 H 2.294 0.015 2 712 . 66 GLU CG C 36.142 0.2 1 713 . 66 GLU HG2 H 2.132 0.015 2 714 . 66 GLU HG3 H 2.392 0.015 2 715 . 66 GLU C C 178.166 0.2 1 716 . 67 GLU N N 116.724 0.1 1 717 . 67 GLU H H 8.263 0.015 1 718 . 67 GLU CA C 58.986 0.2 1 719 . 67 GLU HA H 3.962 0.015 1 720 . 67 GLU CB C 29.368 0.2 1 721 . 67 GLU HB2 H 2.143 0.015 2 722 . 67 GLU HB3 H 2.177 0.015 2 723 . 67 GLU CG C 35.895 0.2 1 724 . 67 GLU HG2 H 2.453 0.015 2 725 . 67 GLU C C 178.730 0.2 1 726 . 68 ALA N N 120.210 0.1 1 727 . 68 ALA H H 8.211 0.015 1 728 . 68 ALA CA C 54.823 0.2 1 729 . 68 ALA HA H 4.077 0.015 1 730 . 68 ALA HB H 1.435 0.015 1 731 . 68 ALA CB C 17.807 0.2 1 732 . 68 ALA C C 180.711 0.2 1 733 . 69 ILE N N 117.886 0.1 1 734 . 69 ILE H H 7.923 0.015 1 735 . 69 ILE CA C 64.077 0.2 1 736 . 69 ILE HA H 3.636 0.015 1 737 . 69 ILE CB C 37.801 0.2 1 738 . 69 ILE HB H 1.863 0.015 1 739 . 69 ILE HG2 H 1.005 0.015 1 740 . 69 ILE CG2 C 19.123 0.2 1 741 . 69 ILE CG1 C 29.298 0.2 1 742 . 69 ILE HG12 H 0.851 0.015 2 743 . 69 ILE HG13 H 2.132 0.015 2 744 . 69 ILE HD1 H 0.750 0.015 1 745 . 69 ILE CD1 C 14.883 0.2 1 746 . 69 ILE C C 177.248 0.2 1 747 . 70 LYS N N 117.189 0.1 1 748 . 70 LYS H H 8.006 0.015 1 749 . 70 LYS CA C 58.759 0.2 1 750 . 70 LYS HA H 3.948 0.015 1 751 . 70 LYS CB C 32.451 0.2 1 752 . 70 LYS HB2 H 1.971 0.015 2 753 . 70 LYS CG C 26.365 0.2 1 754 . 70 LYS HG2 H 1.543 0.015 2 755 . 70 LYS HG3 H 1.775 0.015 2 756 . 70 LYS CD C 29.269 0.2 1 757 . 70 LYS HD2 H 1.768 0.015 2 758 . 70 LYS CE C 41.952 0.2 1 759 . 70 LYS HE2 H 2.975 0.015 2 760 . 70 LYS HE3 H 3.051 0.015 2 761 . 70 LYS C C 176.907 0.2 1 762 . 71 LYS N N 115.561 0.1 1 763 . 71 LYS H H 7.044 0.015 1 764 . 71 LYS CA C 56.734 0.2 1 765 . 71 LYS HA H 4.230 0.015 1 766 . 71 LYS CB C 32.539 0.2 1 767 . 71 LYS HB2 H 1.899 0.015 2 768 . 71 LYS HB3 H 2.073 0.015 2 769 . 71 LYS CG C 25.078 0.2 1 770 . 71 LYS HG2 H 1.572 0.015 2 771 . 71 LYS HG3 H 1.783 0.015 2 772 . 71 LYS CD C 28.996 0.2 1 773 . 71 LYS HD2 H 1.771 0.015 2 774 . 71 LYS CE C 41.968 0.2 1 775 . 71 LYS HE2 H 3.044 0.015 2 776 . 71 LYS C C 177.156 0.2 1 777 . 72 ILE N N 122.767 0.1 1 778 . 72 ILE H H 7.751 0.015 1 779 . 72 ILE CA C 62.128 0.2 1 780 . 72 ILE HA H 3.824 0.015 1 781 . 72 ILE CB C 37.654 0.2 1 782 . 72 ILE HB H 2.053 0.015 1 783 . 72 ILE HG2 H 0.937 0.015 1 784 . 72 ILE CG2 C 16.997 0.2 1 785 . 72 ILE CG1 C 26.809 0.2 1 786 . 72 ILE HG12 H 1.026 0.015 2 787 . 72 ILE HG13 H 1.894 0.015 2 788 . 72 ILE HD1 H 0.913 0.015 1 789 . 72 ILE CD1 C 15.563 0.2 1 790 . 72 ILE C C 176.304 0.2 1 791 . 73 GLU N N 130.438 0.1 1 792 . 73 GLU H H 8.600 0.015 1 793 . 73 GLU CA C 58.264 0.2 1 794 . 73 GLU HA H 4.030 0.015 1 795 . 73 GLU CB C 29.300 0.2 1 796 . 73 GLU HB2 H 1.953 0.015 2 797 . 73 GLU HB3 H 2.057 0.015 2 798 . 73 GLU CG C 35.928 0.2 1 799 . 73 GLU HG2 H 2.224 0.015 2 800 . 73 GLU HG3 H 2.365 0.015 2 801 . 73 GLU C C 176.304 0.2 1 802 . 74 GLY N N 112.540 0.1 1 803 . 74 GLY H H 8.600 0.015 1 804 . 74 GLY CA C 44.704 0.2 1 805 . 74 GLY HA2 H 3.645 0.015 2 806 . 74 GLY HA3 H 4.261 0.015 2 807 . 74 GLY C C 174.808 0.2 1 808 . 75 VAL N N 120.210 0.1 1 809 . 75 VAL H H 7.472 0.015 1 810 . 75 VAL CA C 63.935 0.2 1 811 . 75 VAL HA H 3.963 0.015 1 812 . 75 VAL CB C 32.440 0.2 1 813 . 75 VAL HB H 2.074 0.015 1 814 . 75 VAL HG1 H 1.052 0.015 2 815 . 75 VAL HG2 H 0.980 0.015 2 816 . 75 VAL CG1 C 23.968 0.2 2 817 . 75 VAL CG2 C 21.215 0.2 2 818 . 75 VAL C C 174.913 0.2 1 819 . 76 ASN N N 126.719 0.1 1 820 . 76 ASN H H 8.042 0.015 1 821 . 76 ASN CA C 52.489 0.2 1 822 . 76 ASN HA H 5.163 0.015 1 823 . 76 ASN CB C 38.584 0.2 1 824 . 76 ASN HB2 H 2.677 0.015 2 825 . 76 ASN HB3 H 2.950 0.015 2 826 . 76 ASN ND2 N 113.512 0.1 1 827 . 76 ASN HD21 H 8.035 0.015 2 828 . 76 ASN HD22 H 6.860 0.015 2 829 . 76 ASN C C 173.313 0.2 1 830 . 77 ASN N N 120.210 0.1 1 831 . 77 ASN H H 8.811 0.015 1 832 . 77 ASN CA C 53.566 0.2 1 833 . 77 ASN HA H 4.810 0.015 1 834 . 77 ASN CB C 39.605 0.2 1 835 . 77 ASN HB2 H 2.753 0.015 2 836 . 77 ASN HB3 H 2.812 0.015 2 837 . 77 ASN ND2 N 113.785 0.1 1 838 . 77 ASN HD21 H 7.508 0.015 2 839 . 77 ASN HD22 H 6.929 0.015 2 840 . 77 ASN C C 173.890 0.2 1 841 . 78 VAL N N 119.513 0.1 1 842 . 78 VAL H H 8.247 0.015 1 843 . 78 VAL CA C 61.080 0.2 1 844 . 78 VAL HA H 4.966 0.015 1 845 . 78 VAL CB C 35.768 0.2 1 846 . 78 VAL HB H 1.895 0.015 1 847 . 78 VAL HG1 H 0.907 0.015 2 848 . 78 VAL HG2 H 0.906 0.015 2 849 . 78 VAL CG1 C 21.522 0.2 2 850 . 78 VAL CG2 C 22.965 0.2 2 851 . 78 VAL C C 174.245 0.2 1 852 . 79 GLU N N 127.416 0.1 1 853 . 79 GLU H H 8.700 0.015 1 854 . 79 GLU CA C 54.792 0.2 1 855 . 79 GLU HA H 4.746 0.015 1 856 . 79 GLU CB C 33.477 0.2 1 857 . 79 GLU HB2 H 1.955 0.015 2 858 . 79 GLU HB3 H 2.026 0.015 2 859 . 79 GLU CG C 35.859 0.2 1 860 . 79 GLU HG2 H 2.159 0.015 2 861 . 79 GLU HG3 H 2.257 0.015 2 862 . 79 GLU C C 174.166 0.2 1 863 . 80 VAL N N 125.324 0.1 1 864 . 80 VAL H H 8.852 0.015 1 865 . 80 VAL CA C 60.746 0.2 1 866 . 80 VAL HA H 4.880 0.015 1 867 . 80 VAL CB C 32.512 0.2 1 868 . 80 VAL HB H 2.038 0.015 1 869 . 80 VAL HG1 H 0.811 0.015 2 870 . 80 VAL HG2 H 0.802 0.015 2 871 . 80 VAL CG1 C 22.241 0.2 2 872 . 80 VAL CG2 C 20.491 0.2 2 873 . 80 VAL C C 174.205 0.2 1 874 . 81 GLU N N 128.114 0.1 1 875 . 81 GLU H H 9.095 0.015 1 876 . 81 GLU CA C 54.125 0.2 1 877 . 81 GLU HA H 4.685 0.015 1 878 . 81 GLU CB C 33.250 0.2 1 879 . 81 GLU HB2 H 1.907 0.015 2 880 . 81 GLU HB3 H 1.992 0.015 2 881 . 81 GLU CG C 35.713 0.2 1 882 . 81 GLU HG2 H 2.136 0.015 2 883 . 81 GLU HG3 H 2.274 0.015 2 884 . 81 GLU C C 173.654 0.2 1 885 . 82 LEU N N 124.395 0.1 1 886 . 82 LEU H H 8.391 0.015 1 887 . 82 LEU CA C 53.027 0.2 1 888 . 82 LEU HA H 5.146 0.015 1 889 . 82 LEU CB C 44.111 0.2 1 890 . 82 LEU HB2 H 1.500 0.015 2 891 . 82 LEU CG C 26.525 0.2 1 892 . 82 LEU HG H 1.315 0.015 1 893 . 82 LEU HD1 H 0.858 0.015 2 894 . 82 LEU HD2 H 0.851 0.015 2 895 . 82 LEU CD1 C 25.464 0.2 2 896 . 82 LEU CD2 C 23.965 0.2 2 897 . 82 LEU C C 176.723 0.2 1 898 . 83 THR N N 118.816 0.1 1 899 . 83 THR H H 8.547 0.015 1 900 . 83 THR CA C 58.961 0.2 1 901 . 83 THR HA H 4.637 0.015 1 902 . 83 THR CB C 70.213 0.2 1 903 . 83 THR HB H 4.047 0.015 1 904 . 83 THR HG2 H 0.938 0.015 1 905 . 83 THR CG2 C 19.676 0.2 1 906 . 83 THR C C 170.952 0.2 1 907 . 84 PHE N N 123.232 0.1 1 908 . 84 PHE H H 8.742 0.015 1 909 . 84 PHE CA C 57.712 0.2 1 910 . 84 PHE HA H 4.563 0.015 1 911 . 84 PHE CB C 39.216 0.2 1 912 . 84 PHE HB2 H 2.642 0.015 2 913 . 84 PHE HB3 H 3.685 0.015 2 914 . 84 PHE HD2 H 7.429 0.015 3 915 . 84 PHE HE2 H 7.233 0.015 3 916 . 84 PHE CD1 C 132.596 0.2 1 917 . 84 PHE CE1 C 131.541 0.2 1 918 . 84 PHE CZ C 129.432 0.2 1 919 . 84 PHE HZ H 7.231 0.015 1 920 . 84 PHE CE2 C 131.541 0.2 1 921 . 84 PHE CD2 C 132.596 0.2 1 922 . 84 PHE C C 172.880 0.2 1 923 . 85 ASP N N 120.443 0.1 1 924 . 85 ASP H H 8.040 0.015 1 925 . 85 ASP CA C 50.519 0.2 1 926 . 85 ASP HA H 5.192 0.015 1 927 . 85 ASP CB C 43.762 0.2 1 928 . 85 ASP HB2 H 2.534 0.015 2 929 . 85 ASP HB3 H 2.805 0.015 2 930 . 86 PRO CD C 49.800 0.2 1 931 . 86 PRO CA C 62.168 0.2 1 932 . 86 PRO HA H 5.406 0.015 1 933 . 86 PRO CB C 32.863 0.2 1 934 . 86 PRO HB2 H 2.156 0.015 2 935 . 86 PRO HB3 H 2.433 0.015 2 936 . 86 PRO CG C 24.341 0.2 1 937 . 86 PRO HG2 H 1.702 0.015 2 938 . 86 PRO HG3 H 1.865 0.015 2 939 . 86 PRO HD2 H 3.391 0.015 2 940 . 86 PRO HD3 H 3.532 0.015 2 941 . 87 PRO CD C 50.199 0.2 1 942 . 87 PRO CA C 62.875 0.2 1 943 . 87 PRO HA H 4.669 0.015 1 944 . 87 PRO CB C 31.786 0.2 1 945 . 87 PRO HB2 H 2.116 0.015 2 946 . 87 PRO HB3 H 2.586 0.015 2 947 . 87 PRO CG C 27.462 0.2 1 948 . 87 PRO HG2 H 2.250 0.015 2 949 . 87 PRO HG3 H 2.294 0.015 2 950 . 87 PRO HD2 H 3.812 0.015 2 951 . 87 PRO HD3 H 4.077 0.015 2 952 . 87 PRO C C 177.091 0.2 1 953 . 88 TRP N N 126.487 0.1 1 954 . 88 TRP H H 9.759 0.015 1 955 . 88 TRP CA C 61.272 0.2 1 956 . 88 TRP HA H 4.131 0.015 1 957 . 88 TRP CB C 29.469 0.2 1 958 . 88 TRP HB2 H 3.346 0.015 2 959 . 88 TRP HB3 H 3.445 0.015 2 960 . 88 TRP CD1 C 126.268 0.2 1 961 . 88 TRP CE3 C 121.346 0.2 1 962 . 88 TRP NE1 N 130.627 0.1 1 963 . 88 TRP HD1 H 6.971 0.015 1 964 . 88 TRP HE3 H 7.617 0.015 1 965 . 88 TRP CZ3 C 121.346 0.2 1 966 . 88 TRP CZ2 C 115.018 0.2 1 967 . 88 TRP HE1 H 10.434 0.015 1 968 . 88 TRP HZ3 H 7.134 0.015 1 969 . 88 TRP CH2 C 123.455 0.2 1 970 . 88 TRP HZ2 H 7.499 0.015 1 971 . 88 TRP HH2 H 6.938 0.015 1 972 . 88 TRP C C 176.291 0.2 1 973 . 89 THR N N 115.794 0.1 1 974 . 89 THR H H 6.078 0.015 1 975 . 89 THR CA C 58.168 0.2 1 976 . 89 THR HA H 4.612 0.015 1 977 . 89 THR CB C 69.873 0.2 1 978 . 89 THR HB H 4.354 0.015 1 979 . 89 THR HG2 H 1.217 0.015 1 980 . 89 THR CG2 C 21.388 0.2 1 981 . 90 PRO CD C 50.581 0.2 1 982 . 90 PRO CA C 63.975 0.2 1 983 . 90 PRO HA H 3.681 0.015 1 984 . 90 PRO CB C 31.658 0.2 1 985 . 90 PRO HB2 H 1.859 0.015 2 986 . 90 PRO HB3 H 2.213 0.015 2 987 . 90 PRO CG C 27.214 0.2 1 988 . 90 PRO HG2 H 1.951 0.015 2 989 . 90 PRO HG3 H 2.096 0.015 2 990 . 90 PRO HD2 H 3.676 0.015 2 991 . 90 PRO C C 176.553 0.2 1 992 . 91 GLU N N 115.794 0.1 1 993 . 91 GLU H H 7.496 0.015 1 994 . 91 GLU CA C 58.289 0.2 1 995 . 91 GLU HA H 3.875 0.015 1 996 . 91 GLU CB C 28.939 0.2 1 997 . 91 GLU HB2 H 1.784 0.015 2 998 . 91 GLU HB3 H 1.953 0.015 2 999 . 91 GLU CG C 36.326 0.2 1 1000 . 91 GLU HG2 H 2.194 0.015 2 1001 . 91 GLU HG3 H 2.250 0.015 2 1002 . 91 GLU C C 176.946 0.2 1 1003 . 92 ARG N N 115.329 0.1 1 1004 . 92 ARG H H 7.635 0.015 1 1005 . 92 ARG CA C 56.451 0.2 1 1006 . 92 ARG HA H 4.120 0.015 1 1007 . 92 ARG CB C 30.476 0.2 1 1008 . 92 ARG HB2 H 1.783 0.015 2 1009 . 92 ARG HB3 H 2.312 0.015 2 1010 . 92 ARG CG C 27.837 0.2 1 1011 . 92 ARG HG2 H 1.652 0.015 2 1012 . 92 ARG HG3 H 1.743 0.015 2 1013 . 92 ARG CD C 42.636 0.2 1 1014 . 92 ARG HD2 H 3.378 0.015 2 1015 . 92 ARG HD3 H 3.423 0.015 2 1016 . 92 ARG NE N 84.356 0.1 1 1017 . 92 ARG HE H 7.629 0.015 1 1018 . 92 ARG C C 176.881 0.2 1 1019 . 93 MET N N 116.956 0.1 1 1020 . 93 MET H H 7.472 0.015 1 1021 . 93 MET CA C 56.150 0.2 1 1022 . 93 MET HA H 4.423 0.015 1 1023 . 93 MET CB C 35.197 0.2 1 1024 . 93 MET HB2 H 2.319 0.015 2 1025 . 93 MET CG C 32.477 0.2 1 1026 . 93 MET HG2 H 2.932 0.015 2 1027 . 93 MET HE H 2.050 0.015 1 1028 . 93 MET CE C 16.272 0.2 1 1029 . 93 MET C C 175.425 0.2 1 1030 . 94 SER N N 117.189 0.1 1 1031 . 94 SER H H 8.718 0.015 1 1032 . 94 SER CA C 56.850 0.2 1 1033 . 94 SER HA H 4.722 0.015 1 1034 . 94 SER CB C 62.864 0.2 1 1035 . 94 SER HB2 H 4.217 0.015 2 1036 . 94 SER HB3 H 4.404 0.015 2 1037 . 95 PRO CD C 50.413 0.2 1 1038 . 95 PRO CA C 65.949 0.2 1 1039 . 95 PRO HA H 4.168 0.015 1 1040 . 95 PRO CB C 31.695 0.2 1 1041 . 95 PRO HB2 H 2.069 0.015 2 1042 . 95 PRO HB3 H 2.470 0.015 2 1043 . 95 PRO CG C 27.490 0.2 1 1044 . 95 PRO HG2 H 2.152 0.015 2 1045 . 95 PRO HG3 H 2.296 0.015 2 1046 . 95 PRO HD2 H 4.020 0.015 2 1047 . 95 PRO C C 178.874 0.2 1 1048 . 96 GLU N N 116.956 0.1 1 1049 . 96 GLU H H 9.060 0.015 1 1050 . 96 GLU CA C 59.370 0.2 1 1051 . 96 GLU HA H 4.216 0.015 1 1052 . 96 GLU CB C 28.468 0.2 1 1053 . 96 GLU HB2 H 2.125 0.015 1 1054 . 96 GLU HB3 H 2.125 0.015 1 1055 . 96 GLU CG C 36.005 0.2 1 1056 . 96 GLU HG2 H 2.395 0.015 2 1057 . 96 GLU C C 178.848 0.2 1 1058 . 97 LEU N N 120.908 0.1 1 1059 . 97 LEU H H 7.692 0.015 1 1060 . 97 LEU CA C 56.851 0.2 1 1061 . 97 LEU HA H 4.348 0.015 1 1062 . 97 LEU CB C 42.349 0.2 1 1063 . 97 LEU HB2 H 1.835 0.015 2 1064 . 97 LEU HB3 H 2.092 0.015 2 1065 . 97 LEU CG C 27.412 0.2 1 1066 . 97 LEU HG H 1.860 0.015 1 1067 . 97 LEU HD1 H 1.111 0.015 2 1068 . 97 LEU HD2 H 1.054 0.015 2 1069 . 97 LEU CD1 C 25.809 0.2 2 1070 . 97 LEU CD2 C 23.655 0.2 2 1071 . 97 LEU C C 178.914 0.2 1 1072 . 98 ARG N N 119.513 0.1 1 1073 . 98 ARG H H 8.354 0.015 1 1074 . 98 ARG CA C 60.469 0.2 1 1075 . 98 ARG HA H 3.993 0.015 1 1076 . 98 ARG CB C 29.591 0.2 1 1077 . 98 ARG HB2 H 1.920 0.015 2 1078 . 98 ARG HB3 H 2.134 0.015 2 1079 . 98 ARG CG C 28.040 0.2 1 1080 . 98 ARG HG2 H 1.471 0.015 2 1081 . 98 ARG HG3 H 1.918 0.015 2 1082 . 98 ARG CD C 43.336 0.2 1 1083 . 98 ARG HD2 H 3.183 0.015 2 1084 . 98 ARG HD3 H 3.284 0.015 2 1085 . 98 ARG NE N 84.691 0.1 1 1086 . 98 ARG HE H 7.499 0.015 1 1087 . 98 ARG C C 178.861 0.2 1 1088 . 99 GLU N N 116.956 0.1 1 1089 . 99 GLU H H 7.979 0.015 1 1090 . 99 GLU CA C 58.612 0.2 1 1091 . 99 GLU HA H 4.181 0.015 1 1092 . 99 GLU CB C 26.781 0.2 1 1093 . 99 GLU HB2 H 2.135 0.015 2 1094 . 99 GLU CG C 35.969 0.2 1 1095 . 99 GLU HG2 H 2.301 0.015 2 1096 . 99 GLU HG3 H 2.392 0.015 2 1097 . 99 GLU C C 178.363 0.2 1 1098 . 100 LYS N N 119.281 0.1 1 1099 . 100 LYS H H 7.605 0.015 1 1100 . 100 LYS CA C 58.370 0.2 1 1101 . 100 LYS HA H 4.061 0.015 1 1102 . 100 LYS CB C 32.497 0.2 1 1103 . 100 LYS HB2 H 1.712 0.015 2 1104 . 100 LYS HB3 H 1.857 0.015 2 1105 . 100 LYS CG C 24.336 0.2 1 1106 . 100 LYS HG2 H 0.994 0.015 2 1107 . 100 LYS HG3 H 1.332 0.015 2 1108 . 100 LYS CD C 28.853 0.2 1 1109 . 100 LYS HD2 H 1.543 0.015 2 1110 . 100 LYS CE C 41.808 0.2 1 1111 . 100 LYS HE2 H 2.923 0.015 2 1112 . 100 LYS C C 177.655 0.2 1 1113 . 101 PHE N N 115.794 0.1 1 1114 . 101 PHE H H 8.041 0.015 1 1115 . 101 PHE CA C 58.550 0.2 1 1116 . 101 PHE HA H 4.659 0.015 1 1117 . 101 PHE CB C 39.538 0.2 1 1118 . 101 PHE HB2 H 2.840 0.015 2 1119 . 101 PHE HB3 H 3.357 0.015 2 1120 . 101 PHE HE1 H 7.453 0.015 3 1121 . 101 PHE HD1 H 7.453 0.015 3 1122 . 101 PHE HZ H 7.453 0.015 1 1123 . 101 PHE CD1 C 132.245 0.2 1 1124 . 101 PHE CE1 C 132.245 0.2 1 1125 . 101 PHE CZ C 132.245 0.2 1 1126 . 101 PHE CE2 C 132.245 0.2 1 1127 . 101 PHE CD2 C 132.245 0.2 1 1128 . 101 PHE C C 175.910 0.2 1 1129 . 102 GLY N N 110.448 0.1 1 1130 . 102 GLY H H 8.008 0.015 1 1131 . 102 GLY CA C 46.765 0.2 1 1132 . 102 GLY HA2 H 4.016 0.015 2 1133 . 102 GLY C C 173.917 0.2 1 1134 . 103 VAL N N 121.140 0.1 1 1135 . 103 VAL H H 7.699 0.015 1 1136 . 103 VAL CA C 62.460 0.2 1 1137 . 103 VAL HA H 4.229 0.015 1 1138 . 103 VAL CB C 33.423 0.2 1 1139 . 103 VAL HB H 2.160 0.015 1 1140 . 103 VAL HG1 H 0.889 0.015 2 1141 . 103 VAL HG2 H 0.880 0.015 2 1142 . 103 VAL CG1 C 21.536 0.2 2 1143 . 103 VAL CG2 C 19.965 0.2 2 stop_ save_