data_5104 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; An NMR Approach to Structural Proteomics ; _BMRB_accession_number 5104 _BMRB_flat_file_name bmr5104.str _Entry_type original _Submission_date 2001-08-14 _Accession_date 2001-08-14 _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 Yee Adelinda . . 2 Chang Xiaoqing . . 3 Pineda-Lucena Antonio . . 4 Wu Bin . . 5 Semesi Anthony . . 6 Le Brian . . 7 Ramelot Theresa . . 8 Lee Gregory M. . 9 Bhattacharyya Sudeepa . . 10 Gutierrez Pablo . . 11 Denisov Aleksej . . 12 Lee Chang-Hun . . 13 Cort John R. . 14 Kozlov Guennadi . . 15 Liao Jack . . 16 Finak Grzegorz . . 17 Chen Limin . . 18 Wishart David . . 19 Lee Weontae . . 20 McIntosh Lawrence P. . 21 Gehring Kalle . . 22 Kennedy Michael A. . 23 Edwards Aled M. . 24 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 611 "13C chemical shifts" 418 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-08 original author . stop_ _Original_release_date 2002-04-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'An NMR Approach to Structural Proteomics' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21843898 _PubMed_ID 11854485 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yee Adelinda . . 2 Chang Xiaoqing . . 3 Pineda-Lucena Antonio . . 4 Wu Bin . . 5 Semesi Anthony . . 6 Le Brian . . 7 Ramelot Theresa . . 8 Lee Gregory M. . 9 Bhattacharyya Sudeepa . . 10 Gutierrez Pablo . . 11 Denisov Aleksej . . 12 Lee Chang-Hun . . 13 Cort John R. . 14 Kozlov Guennadi . . 15 Liao Jack . . 16 Finak Grzegorz . . 17 Chen Limin . . 18 Wishart David . . 19 Lee Weontae . . 20 McIntosh Lawrence P. . 21 Gehring Kalle . . 22 Kennedy Michael A. . 23 Edwards Aled M. . 24 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 99 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1825 _Page_last 1830 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_MTH0637 _Saveframe_category molecular_system _Mol_system_name MTH0637 _Abbreviation_common MTH0637 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MTH0637 $MTH0637 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_MTH0637 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MTH0637 _Abbreviation_common MTH0637 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; VITMDCLREVGDDLLVNIEV SPASGKFGIPSYNEWRKRIE VKIHSPPQKGKANREIIKEF SETFGRDVEIVSGQKSRQKT IRIQGMGRDLFLKLVSEKFG LEIP ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 ILE 3 THR 4 MET 5 ASP 6 CYS 7 LEU 8 ARG 9 GLU 10 VAL 11 GLY 12 ASP 13 ASP 14 LEU 15 LEU 16 VAL 17 ASN 18 ILE 19 GLU 20 VAL 21 SER 22 PRO 23 ALA 24 SER 25 GLY 26 LYS 27 PHE 28 GLY 29 ILE 30 PRO 31 SER 32 TYR 33 ASN 34 GLU 35 TRP 36 ARG 37 LYS 38 ARG 39 ILE 40 GLU 41 VAL 42 LYS 43 ILE 44 HIS 45 SER 46 PRO 47 PRO 48 GLN 49 LYS 50 GLY 51 LYS 52 ALA 53 ASN 54 ARG 55 GLU 56 ILE 57 ILE 58 LYS 59 GLU 60 PHE 61 SER 62 GLU 63 THR 64 PHE 65 GLY 66 ARG 67 ASP 68 VAL 69 GLU 70 ILE 71 VAL 72 SER 73 GLY 74 GLN 75 LYS 76 SER 77 ARG 78 GLN 79 LYS 80 THR 81 ILE 82 ARG 83 ILE 84 GLN 85 GLY 86 MET 87 GLY 88 ARG 89 ASP 90 LEU 91 PHE 92 LEU 93 LYS 94 LEU 95 VAL 96 SER 97 GLU 98 LYS 99 PHE 100 GLY 101 LEU 102 GLU 103 ILE 104 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-16 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 1JRM "Nmr Structure Of Mth0637. Ontario Centre For Structural Proteomics Target Mth0637_1_104; Northeast Structural Genomics Target T" 99.04 104 100.00 100.00 5.12e-67 GB AAB85143 "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 104 99.04 100.00 2.66e-67 REF NP_275780 "hypothetical protein MTH637 [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 104 99.04 100.00 2.66e-67 REF WP_010876276 "hypothetical protein [Methanothermobacter thermautotrophicus]" 100.00 104 99.04 100.00 2.66e-67 SP O26734 "RecName: Full=UPF0235 protein MTH_637 [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 104 99.04 100.00 2.66e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MTH0637 'Methanobacterium thermoautotrophicum' 145262 Archaea Euryarchaeota Methanobacterium termoautotrophicum 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 $MTH0637 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SAMPLE_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MTH0637 . mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 600 _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 6.5 0.2 n/a temperature 298 1 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 $SAMPLE_1 stop_ _Sample_conditions_label $EX-COND_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name MTH0637 _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 VAL N N 122.1 0.05 1 2 . 1 VAL H H 8.15 0.02 1 3 . 1 VAL CA C 62.6 0.05 1 4 . 1 VAL HA H 4.08 0.02 1 5 . 1 VAL CB C 32.9 0.05 1 6 . 1 VAL HB H 2.03 0.02 1 7 . 1 VAL CG1 C 21.0 0.05 1 8 . 1 VAL HG1 H 0.91 0.02 1 9 . 1 VAL HG2 H 0.91 0.02 1 10 . 1 VAL C C 175.3 0.05 1 11 . 2 ILE N N 126.2 0.05 1 12 . 2 ILE H H 8.36 0.02 1 13 . 2 ILE CA C 60.7 0.05 1 14 . 2 ILE HA H 4.28 0.02 1 15 . 2 ILE CB C 38.6 0.05 1 16 . 2 ILE HB H 1.89 0.02 1 17 . 2 ILE HG2 H 0.92 0.02 1 18 . 2 ILE CG2 C 17.8 0.05 1 19 . 2 ILE CG1 C 27.5 0.05 1 20 . 2 ILE HG12 H 1.50 0.02 2 21 . 2 ILE HG13 H 1.23 0.02 2 22 . 2 ILE HD1 H 0.88 0.02 1 23 . 2 ILE CD1 C 12.7 0.05 1 24 . 2 ILE C C 175.8 0.05 1 25 . 3 THR N N 119.7 0.05 1 26 . 3 THR H H 8.31 0.02 1 27 . 3 THR CA C 61.7 0.05 1 28 . 3 THR HA H 4.38 0.02 1 29 . 3 THR CB C 69.8 0.05 1 30 . 3 THR HB H 4.12 0.02 1 31 . 3 THR HG2 H 1.21 0.02 1 32 . 3 THR CG2 C 21.5 0.05 1 33 . 3 THR C C 176.2 0.05 1 34 . 4 MET N N 123.6 0.05 1 35 . 4 MET H H 8.30 0.02 1 36 . 4 MET CA C 55.3 0.05 1 37 . 4 MET HA H 4.48 0.02 1 38 . 4 MET CB C 33.8 0.05 1 39 . 4 MET HB2 H 1.98 0.02 2 40 . 4 MET HB3 H 1.92 0.02 2 41 . 4 MET CG C 31.9 0.05 1 42 . 4 MET HG2 H 2.53 0.02 2 43 . 4 MET HG3 H 2.52 0.02 2 44 . 4 MET C C 174.2 0.05 1 45 . 5 ASP N N 122.0 0.05 1 46 . 5 ASP H H 8.24 0.02 1 47 . 5 ASP CA C 55.0 0.05 1 48 . 5 ASP HA H 4.52 0.02 1 49 . 5 ASP CB C 41.7 0.05 1 50 . 5 ASP HB2 H 2.48 0.02 2 51 . 5 ASP HB3 H 2.83 0.02 2 52 . 6 CYS CA C 62.6 0.05 1 53 . 6 CYS HA H 4.29 0.02 1 54 . 6 CYS CB C 28.9 0.05 1 55 . 6 CYS HB2 H 3.27 0.02 2 56 . 6 CYS HB3 H 2.73 0.02 2 57 . 7 LEU N N 115.8 0.05 1 58 . 7 LEU H H 8.01 0.02 1 59 . 7 LEU CA C 53.0 0.05 1 60 . 7 LEU HA H 5.30 0.02 1 61 . 7 LEU CB C 44.6 0.05 1 62 . 7 LEU HB2 H 1.84 0.02 1 63 . 7 LEU HB3 H 1.84 0.02 1 64 . 7 LEU CG C 27.2 0.05 1 65 . 7 LEU HG H 1.73 0.02 1 66 . 7 LEU HD1 H 0.96 0.02 2 67 . 7 LEU HD2 H 0.78 0.02 2 68 . 7 LEU CD1 C 27.0 0.05 1 69 . 7 LEU CD2 C 27.0 0.05 1 70 . 8 ARG N N 121.3 0.05 1 71 . 8 ARG H H 8.63 0.02 1 72 . 8 ARG CA C 55.4 0.05 1 73 . 8 ARG HA H 4.55 0.02 1 74 . 8 ARG CB C 34.3 0.05 1 75 . 8 ARG HB2 H 1.72 0.02 1 76 . 8 ARG HB3 H 1.72 0.02 1 77 . 8 ARG CG C 27.2 0.05 1 78 . 8 ARG HG2 H 1.65 0.02 2 79 . 8 ARG HG3 H 1.56 0.02 2 80 . 8 ARG CD C 43.9 0.05 1 81 . 8 ARG HD2 H 3.18 0.02 1 82 . 8 ARG HD3 H 3.18 0.02 1 83 . 8 ARG C C 176.3 0.05 1 84 . 9 GLU N N 125.8 0.05 1 85 . 9 GLU H H 8.98 0.02 1 86 . 9 GLU CA C 56.8 0.05 1 87 . 9 GLU HA H 4.70 0.02 1 88 . 9 GLU CB C 30.5 0.05 1 89 . 9 GLU HB2 H 2.10 0.02 1 90 . 9 GLU HB3 H 2.10 0.02 1 91 . 9 GLU CG C 38.1 0.05 1 92 . 9 GLU HG2 H 2.38 0.02 1 93 . 9 GLU HG3 H 2.38 0.02 1 94 . 9 GLU C C 174.9 0.05 1 95 . 10 VAL N N 124.7 0.05 1 96 . 10 VAL H H 8.49 0.02 1 97 . 10 VAL CA C 60.8 0.05 1 98 . 10 VAL HA H 4.30 0.02 1 99 . 10 VAL CB C 33.1 0.05 1 100 . 10 VAL HB H 1.91 0.02 1 101 . 10 VAL CG1 C 20.6 0.05 1 102 . 10 VAL HG1 H 0.91 0.02 1 103 . 10 VAL HG2 H 0.91 0.02 1 104 . 10 VAL C C 176.5 0.05 1 105 . 11 GLY N N 118.2 0.05 1 106 . 11 GLY H H 8.94 0.02 1 107 . 11 GLY CA C 47.2 0.05 1 108 . 11 GLY HA2 H 4.00 0.02 2 109 . 11 GLY HA3 H 3.68 0.02 2 110 . 11 GLY C C 176.1 0.05 1 111 . 12 ASP N N 127.9 0.05 1 112 . 12 ASP H H 8.91 0.02 1 113 . 12 ASP CA C 54.9 0.05 1 114 . 12 ASP HA H 4.69 0.02 1 115 . 12 ASP CB C 41.5 0.05 1 116 . 12 ASP HB2 H 2.96 0.02 2 117 . 12 ASP HB3 H 2.52 0.02 2 118 . 12 ASP C C 175.3 0.05 1 119 . 13 ASP N N 119.0 0.05 1 120 . 13 ASP H H 8.12 0.02 1 121 . 13 ASP CA C 53.0 0.05 1 122 . 13 ASP HA H 5.33 0.02 1 123 . 13 ASP CB C 44.5 0.05 1 124 . 13 ASP HB2 H 2.74 0.02 2 125 . 13 ASP HB3 H 2.65 0.02 2 126 . 13 ASP C C 174.3 0.05 1 127 . 14 LEU N N 121.1 0.05 1 128 . 14 LEU H H 8.63 0.02 1 129 . 14 LEU CA C 53.3 0.05 1 130 . 14 LEU HA H 4.94 0.02 1 131 . 14 LEU CB C 46.3 0.05 1 132 . 14 LEU HB2 H 1.35 0.02 1 133 . 14 LEU HB3 H 1.35 0.02 1 134 . 14 LEU CG C 28.0 0.05 1 135 . 14 LEU HG H 0.17 0.02 1 136 . 14 LEU HD1 H 1.05 0.02 2 137 . 14 LEU HD2 H 0.60 0.02 2 138 . 14 LEU CD1 C 25.9 0.05 1 139 . 14 LEU CD2 C 23.6 0.05 1 140 . 14 LEU C C 174.2 0.05 1 141 . 15 LEU N N 126.4 0.05 1 142 . 15 LEU H H 9.23 0.02 1 143 . 15 LEU CA C 53.3 0.05 1 144 . 15 LEU HA H 5.36 0.02 1 145 . 15 LEU CB C 42.6 0.05 1 146 . 15 LEU HB2 H 1.85 0.02 2 147 . 15 LEU HB3 H 1.11 0.02 2 148 . 15 LEU CG C 27.3 0.05 1 149 . 15 LEU HG H 1.64 0.02 1 150 . 15 LEU HD1 H 0.83 0.02 2 151 . 15 LEU HD2 H 0.78 0.02 2 152 . 15 LEU CD1 C 25.7 0.05 1 153 . 15 LEU CD2 C 23.4 0.05 1 154 . 15 LEU C C 175.2 0.05 1 155 . 16 VAL N N 122.3 0.05 1 156 . 16 VAL H H 9.08 0.02 1 157 . 16 VAL CA C 60.5 0.05 1 158 . 16 VAL HA H 4.67 0.02 1 159 . 16 VAL CB C 34.7 0.05 1 160 . 16 VAL HB H 1.70 0.02 1 161 . 16 VAL HG1 H 0.69 0.02 2 162 . 16 VAL HG2 H 0.23 0.02 2 163 . 16 VAL CG1 C 21.3 0.05 1 164 . 16 VAL CG2 C 20.3 0.05 1 165 . 16 VAL C C 177.0 0.05 1 166 . 17 ASN N N 127.8 0.05 1 167 . 17 ASN H H 8.86 0.02 1 168 . 17 ASN CA C 52.6 0.05 1 169 . 17 ASN HA H 5.53 0.02 1 170 . 17 ASN CB C 38.3 0.05 1 171 . 17 ASN HB2 H 3.14 0.02 2 172 . 17 ASN HB3 H 2.64 0.02 2 173 . 17 ASN ND2 N 113.0 0.05 1 174 . 17 ASN HD21 H 6.54 0.02 2 175 . 17 ASN HD22 H 8.32 0.02 2 176 . 17 ASN C C 175.0 0.05 1 177 . 18 ILE N N 116.3 0.05 1 178 . 18 ILE H H 9.07 0.02 1 179 . 18 ILE CA C 58.8 0.05 1 180 . 18 ILE HA H 5.78 0.02 1 181 . 18 ILE CB C 42.6 0.05 1 182 . 18 ILE HB H 2.07 0.02 1 183 . 18 ILE HG2 H 0.82 0.02 1 184 . 18 ILE CG2 C 17.6 0.05 1 185 . 18 ILE CG1 C 27.0 0.05 1 186 . 18 ILE HG12 H 1.24 0.02 2 187 . 18 ILE HG13 H 0.99 0.02 2 188 . 18 ILE HD1 H 0.73 0.02 1 189 . 18 ILE CD1 C 14.6 0.05 1 190 . 18 ILE C C 175.0 0.05 1 191 . 19 GLU N N 124.6 0.05 1 192 . 19 GLU H H 9.39 0.02 1 193 . 19 GLU CA C 55.0 0.05 1 194 . 19 GLU HA H 5.29 0.02 1 195 . 19 GLU CB C 33.5 0.05 1 196 . 19 GLU HB2 H 1.93 0.02 2 197 . 19 GLU HB3 H 1.81 0.02 2 198 . 19 GLU CG C 36.1 0.05 1 199 . 19 GLU HG2 H 2.05 0.02 2 200 . 19 GLU HG3 H 1.98 0.02 2 201 . 19 GLU C C 176.7 0.05 1 202 . 20 VAL N N 125.4 0.05 1 203 . 20 VAL H H 8.74 0.02 1 204 . 20 VAL CA C 62.5 0.05 1 205 . 20 VAL HA H 4.13 0.02 1 206 . 20 VAL CB C 32.9 0.05 1 207 . 20 VAL HB H 2.05 0.02 1 208 . 20 VAL HG1 H 0.97 0.02 1 209 . 20 VAL HG2 H 0.97 0.02 1 210 . 20 VAL C C 174.3 0.05 1 211 . 21 SER CA C 58.4 0.05 1 212 . 21 SER HA H 4.71 0.02 1 213 . 21 SER CB C 63.5 0.05 1 214 . 21 SER HB2 H 3.73 0.02 2 215 . 21 SER HB3 H 3.64 0.02 2 216 . 22 PRO CD C 51.0 0.05 1 217 . 22 PRO CA C 61.3 0.05 1 218 . 22 PRO HA H 4.69 0.02 1 219 . 22 PRO CB C 31.5 0.05 1 220 . 22 PRO HB2 H 2.51 0.02 2 221 . 22 PRO HB3 H 1.94 0.02 2 222 . 22 PRO CG C 28.0 0.05 1 223 . 22 PRO HG2 H 2.14 0.02 1 224 . 22 PRO HG3 H 2.14 0.02 1 225 . 22 PRO HD2 H 4.04 0.02 2 226 . 22 PRO HD3 H 3.58 0.02 2 227 . 23 ALA N N 121.7 0.05 1 228 . 23 ALA H H 7.84 0.02 1 229 . 23 ALA CA C 51.2 0.05 1 230 . 23 ALA HA H 4.52 0.02 1 231 . 23 ALA HB H 1.30 0.02 1 232 . 23 ALA CB C 19.5 0.05 1 233 . 23 ALA C C 178.4 0.05 1 234 . 24 SER N N 118.7 0.05 1 235 . 24 SER H H 8.49 0.02 1 236 . 24 SER CA C 57.6 0.05 1 237 . 24 SER HA H 4.92 0.02 1 238 . 24 SER CB C 64.7 0.05 1 239 . 24 SER HB2 H 3.91 0.02 2 240 . 24 SER HB3 H 3.96 0.02 2 241 . 24 SER C C 176.9 0.05 1 242 . 25 GLY N N 112.2 0.05 1 243 . 25 GLY H H 8.05 0.02 1 244 . 25 GLY CA C 45.6 0.05 1 245 . 25 GLY HA2 H 3.93 0.02 2 246 . 25 GLY HA3 H 3.83 0.02 2 247 . 25 GLY C C 175.0 0.05 1 248 . 26 LYS N N 117.9 0.05 1 249 . 26 LYS H H 7.67 0.02 1 250 . 26 LYS CA C 56.4 0.05 1 251 . 26 LYS HA H 3.84 0.02 1 252 . 26 LYS CB C 33.4 0.05 1 253 . 26 LYS HB2 H 1.77 0.02 1 254 . 26 LYS HB3 H 1.77 0.02 1 255 . 26 LYS CG C 24.7 0.05 1 256 . 26 LYS HG3 H 1.55 0.02 2 257 . 26 LYS CD C 29.6 0.05 1 258 . 26 LYS HD2 H 1.77 0.02 1 259 . 26 LYS HD3 H 1.77 0.02 1 260 . 26 LYS CE C 43.0 0.05 1 261 . 26 LYS HE2 H 3.12 0.02 1 262 . 26 LYS HE3 H 3.12 0.02 1 263 . 26 LYS C C 181.7 0.05 1 264 . 27 PHE N N 122.2 0.05 1 265 . 27 PHE H H 8.45 0.02 1 266 . 27 PHE CA C 57.9 0.05 1 267 . 27 PHE HA H 5.18 0.02 1 268 . 27 PHE CB C 39.7 0.05 1 269 . 27 PHE HB2 H 2.81 0.02 2 270 . 27 PHE HB3 H 3.38 0.02 2 271 . 27 PHE HD1 H 7.38 0.02 1 272 . 27 PHE HD2 H 7.38 0.02 1 273 . 27 PHE C C 175.5 0.05 1 274 . 28 GLY N N 114.2 0.05 1 275 . 28 GLY H H 7.57 0.02 1 276 . 28 GLY CA C 44.5 0.05 1 277 . 28 GLY HA2 H 3.76 0.02 2 278 . 28 GLY HA3 H 3.39 0.02 2 279 . 28 GLY C C 176.7 0.05 1 280 . 29 ILE N N 117.6 0.05 1 281 . 29 ILE H H 6.83 0.02 1 282 . 29 ILE CA C 58.1 0.05 1 283 . 29 ILE HA H 4.97 0.02 1 284 . 29 ILE HG2 H 0.74 0.02 1 285 . 29 ILE CG2 C 18.7 0.05 1 286 . 29 ILE HD1 H 0.39 0.02 1 287 . 29 ILE CD1 C 13.1 0.05 1 288 . 30 PRO CD C 50.4 0.05 1 289 . 30 PRO CA C 64.0 0.05 1 290 . 30 PRO HA H 4.38 0.02 1 291 . 30 PRO CB C 33.4 0.05 1 292 . 30 PRO HB2 H 2.32 0.02 2 293 . 30 PRO HB3 H 1.97 0.02 2 294 . 30 PRO CG C 26.9 0.05 1 295 . 30 PRO HG2 H 1.82 0.02 2 296 . 30 PRO HG3 H 1.75 0.02 2 297 . 30 PRO HD2 H 3.89 0.02 2 298 . 30 PRO HD3 H 3.17 0.02 2 299 . 31 SER CA C 58.2 0.05 1 300 . 31 SER HA H 4.80 0.02 1 301 . 31 SER CB C 65.3 0.05 1 302 . 31 SER HB2 H 3.72 0.02 2 303 . 31 SER HB3 H 3.90 0.02 2 304 . 32 TYR N N 120.7 0.05 1 305 . 32 TYR H H 8.70 0.02 1 306 . 32 TYR CA C 56.8 0.05 1 307 . 32 TYR HA H 4.86 0.02 1 308 . 32 TYR CB C 41.2 0.05 1 309 . 32 TYR HB2 H 2.88 0.02 2 310 . 32 TYR HB3 H 2.95 0.02 2 311 . 32 TYR HD1 H 6.98 0.02 1 312 . 32 TYR HD2 H 6.98 0.02 1 313 . 32 TYR C C 171.1 0.05 1 314 . 33 ASN N N 126.2 0.05 1 315 . 33 ASN H H 8.14 0.02 1 316 . 33 ASN CA C 52.3 0.05 1 317 . 33 ASN HA H 4.64 0.02 1 318 . 33 ASN CB C 39.3 0.05 1 319 . 33 ASN HB2 H 2.64 0.02 2 320 . 33 ASN HB3 H 2.68 0.02 2 321 . 33 ASN ND2 N 114.1 0.05 1 322 . 33 ASN HD21 H 6.92 0.02 2 323 . 33 ASN HD22 H 8.03 0.02 2 324 . 34 GLU N N 125.3 0.05 1 325 . 34 GLU H H 8.76 0.02 1 326 . 34 GLU CA C 58.3 0.05 1 327 . 34 GLU HA H 3.77 0.02 1 328 . 34 GLU CB C 29.7 0.05 1 329 . 34 GLU HB2 H 1.97 0.02 2 330 . 34 GLU HB3 H 1.91 0.02 2 331 . 34 GLU CG C 35.7 0.05 1 332 . 34 GLU HG2 H 1.98 0.02 1 333 . 34 GLU HG3 H 1.98 0.02 1 334 . 34 GLU C C 174.6 0.05 1 335 . 35 TRP N N 120.4 0.05 1 336 . 35 TRP H H 7.81 0.02 1 337 . 35 TRP CA C 59.1 0.05 1 338 . 35 TRP HA H 4.60 0.02 1 339 . 35 TRP CB C 29.0 0.05 1 340 . 35 TRP HB2 H 3.41 0.02 1 341 . 35 TRP HB3 H 3.41 0.02 1 342 . 35 TRP NE1 N 129.5 0.05 1 343 . 35 TRP HD1 H 7.29 0.02 1 344 . 35 TRP HE1 H 10.16 0.02 1 345 . 35 TRP C C 176.7 0.05 1 346 . 36 ARG N N 115.7 0.05 1 347 . 36 ARG H H 7.86 0.02 1 348 . 36 ARG CA C 56.1 0.05 1 349 . 36 ARG HA H 4.19 0.02 1 350 . 36 ARG CB C 31.2 0.05 1 351 . 36 ARG HB2 H 1.74 0.02 2 352 . 36 ARG HB3 H 1.26 0.02 2 353 . 36 ARG CG C 28.7 0.05 1 354 . 36 ARG HG2 H 1.46 0.02 2 355 . 36 ARG HG3 H 1.59 0.02 2 356 . 36 ARG CD C 43.5 0.05 1 357 . 36 ARG HD2 H 3.07 0.02 2 358 . 36 ARG HD3 H 3.19 0.02 2 359 . 36 ARG C C 177.9 0.05 1 360 . 37 LYS N N 116.3 0.05 1 361 . 37 LYS H H 7.79 0.02 1 362 . 37 LYS CA C 57.0 0.05 1 363 . 37 LYS HA H 3.90 0.02 1 364 . 37 LYS CB C 29.9 0.05 1 365 . 37 LYS HB2 H 1.75 0.02 2 366 . 37 LYS HB3 H 1.59 0.02 2 367 . 37 LYS HG2 H 1.33 0.02 1 368 . 37 LYS HG3 H 1.33 0.02 1 369 . 37 LYS CD C 25.4 0.05 1 370 . 37 LYS HD2 H 1.62 0.02 1 371 . 37 LYS HD3 H 1.62 0.02 1 372 . 37 LYS CE C 43.0 0.05 1 373 . 37 LYS HE2 H 3.07 0.02 1 374 . 37 LYS HE3 H 3.07 0.02 1 375 . 37 LYS C C 174.9 0.05 1 376 . 38 ARG N N 113.3 0.05 1 377 . 38 ARG H H 7.04 0.02 1 378 . 38 ARG CA C 54.4 0.05 1 379 . 38 ARG HA H 4.92 0.02 1 380 . 38 ARG CB C 36.1 0.05 1 381 . 38 ARG HB2 H 1.31 0.02 2 382 . 38 ARG HB3 H 1.25 0.02 2 383 . 38 ARG CG C 29.2 0.05 1 384 . 38 ARG HG2 H 1.68 0.02 1 385 . 38 ARG HG3 H 1.68 0.02 1 386 . 38 ARG CD C 43.7 0.05 1 387 . 38 ARG HD2 H 2.88 0.02 1 388 . 38 ARG HD3 H 2.88 0.02 1 389 . 38 ARG C C 175.7 0.05 1 390 . 39 ILE N N 120.2 0.05 1 391 . 39 ILE H H 7.89 0.02 1 392 . 39 ILE CA C 62.1 0.05 1 393 . 39 ILE HA H 4.46 0.02 1 394 . 39 ILE CB C 40.1 0.05 1 395 . 39 ILE HB H 1.80 0.02 1 396 . 39 ILE HG2 H 1.08 0.02 1 397 . 39 ILE CG2 C 19.1 0.05 1 398 . 39 ILE CG1 C 29.0 0.05 1 399 . 39 ILE HG12 H 1.11 0.02 2 400 . 39 ILE HG13 H 2.10 0.02 2 401 . 39 ILE HD1 H 1.03 0.02 1 402 . 39 ILE CD1 C 14.2 0.05 1 403 . 39 ILE C C 175.5 0.05 1 404 . 40 GLU N N 130.5 0.05 1 405 . 40 GLU H H 8.84 0.02 1 406 . 40 GLU CA C 55.8 0.05 1 407 . 40 GLU HA H 5.05 0.02 1 408 . 40 GLU CB C 31.1 0.05 1 409 . 40 GLU HB2 H 1.98 0.02 2 410 . 40 GLU HB3 H 1.93 0.02 2 411 . 40 GLU CG C 37.1 0.05 1 412 . 40 GLU HG2 H 2.23 0.02 2 413 . 40 GLU HG3 H 2.01 0.02 2 414 . 40 GLU C C 174.0 0.05 1 415 . 41 VAL N N 121.3 0.05 1 416 . 41 VAL H H 8.51 0.02 1 417 . 41 VAL CA C 60.2 0.05 1 418 . 41 VAL HA H 4.77 0.02 1 419 . 41 VAL CB C 36.0 0.05 1 420 . 41 VAL HB H 1.91 0.02 1 421 . 41 VAL CG1 C 22.9 0.05 1 422 . 41 VAL HG1 H 1.15 0.02 1 423 . 41 VAL HG2 H 1.15 0.02 1 424 . 41 VAL C C 174.3 0.05 1 425 . 42 LYS N N 130.6 0.05 1 426 . 42 LYS H H 8.71 0.02 1 427 . 42 LYS CA C 55.1 0.05 1 428 . 42 LYS HA H 4.94 0.02 1 429 . 42 LYS CB C 34.5 0.05 1 430 . 42 LYS HB2 H 1.51 0.02 2 431 . 42 LYS HB3 H 1.31 0.02 2 432 . 42 LYS CG C 24.4 0.05 1 433 . 42 LYS HG2 H 1.21 0.02 2 434 . 42 LYS HG3 H 1.38 0.02 2 435 . 42 LYS CD C 29.9 0.05 1 436 . 42 LYS HD2 H 1.51 0.02 1 437 . 42 LYS HD3 H 1.51 0.02 1 438 . 42 LYS CE C 41.9 0.05 1 439 . 42 LYS HE2 H 2.76 0.02 1 440 . 42 LYS HE3 H 2.76 0.02 1 441 . 42 LYS C C 172.3 0.05 1 442 . 43 ILE N N 115.5 0.05 1 443 . 43 ILE H H 8.26 0.02 1 444 . 43 ILE CA C 59.9 0.05 1 445 . 43 ILE HA H 4.86 0.02 1 446 . 43 ILE CB C 42.3 0.05 1 447 . 43 ILE HB H 2.38 0.02 1 448 . 43 ILE HG2 H 1.12 0.02 1 449 . 43 ILE CG2 C 19.6 0.05 1 450 . 43 ILE CG1 C 25.9 0.05 1 451 . 43 ILE HG12 H 1.56 0.02 2 452 . 43 ILE HG13 H 1.12 0.02 2 453 . 43 ILE HD1 H 0.99 0.02 1 454 . 43 ILE CD1 C 16.0 0.05 1 455 . 43 ILE C C 173.8 0.05 1 456 . 44 HIS N N 119.6 0.05 1 457 . 44 HIS H H 10.27 0.02 1 458 . 44 HIS CA C 59.3 0.05 1 459 . 44 HIS HA H 4.58 0.02 1 460 . 44 HIS CB C 30.2 0.05 1 461 . 44 HIS HB2 H 3.29 0.02 2 462 . 44 HIS HB3 H 3.41 0.02 2 463 . 44 HIS HD2 H 7.32 0.02 1 464 . 44 HIS HE1 H 8.23 0.02 1 465 . 44 HIS C C 179.3 0.05 1 466 . 45 SER N N 116.5 0.05 1 467 . 45 SER H H 8.70 0.02 1 468 . 45 SER CA C 58.3 0.05 1 469 . 45 SER HA H 4.63 0.02 1 470 . 45 SER CB C 65.4 0.05 1 471 . 45 SER HB2 H 3.87 0.02 1 472 . 45 SER HB3 H 3.87 0.02 1 473 . 45 SER C C 177.6 0.05 1 474 . 46 PRO CD C 51.1 0.05 1 475 . 46 PRO CA C 58.8 0.05 1 476 . 46 PRO HA H 4.49 0.02 1 477 . 46 PRO HD2 H 3.90 0.02 2 478 . 46 PRO HD3 H 3.71 0.02 2 479 . 47 PRO CD C 51.1 0.05 1 480 . 47 PRO CA C 64.3 0.05 1 481 . 47 PRO HA H 4.11 0.02 1 482 . 47 PRO CB C 31.8 0.05 1 483 . 47 PRO HB2 H 1.96 0.02 2 484 . 47 PRO HB3 H 2.03 0.02 2 485 . 47 PRO CG C 27.3 0.05 1 486 . 47 PRO HG2 H 1.96 0.02 1 487 . 47 PRO HG3 H 1.96 0.02 1 488 . 47 PRO HD2 H 3.86 0.02 1 489 . 47 PRO HD3 H 3.86 0.02 1 490 . 48 GLN N N 116.3 0.05 1 491 . 48 GLN H H 8.58 0.02 1 492 . 48 GLN CA C 56.5 0.05 1 493 . 48 GLN HA H 4.20 0.02 1 494 . 48 GLN CB C 28.0 0.05 1 495 . 48 GLN HB2 H 2.05 0.02 1 496 . 48 GLN HB3 H 2.05 0.02 1 497 . 48 GLN CG C 34.0 0.05 1 498 . 48 GLN HG2 H 2.38 0.02 1 499 . 48 GLN HG3 H 2.38 0.02 1 500 . 48 GLN NE2 N 111.3 0.05 1 501 . 48 GLN HE21 H 7.03 0.02 2 502 . 48 GLN HE22 H 7.70 0.02 2 503 . 48 GLN C C 175.4 0.05 1 504 . 49 LYS N N 118.8 0.05 1 505 . 49 LYS H H 7.67 0.02 1 506 . 49 LYS CA C 55.1 0.05 1 507 . 49 LYS CB C 33.3 0.05 1 508 . 49 LYS C C 175.9 0.05 1 509 . 50 GLY CA C 47.8 0.05 1 510 . 50 GLY HA2 H 3.99 0.02 1 511 . 50 GLY HA3 H 3.99 0.02 1 512 . 51 LYS N N 119.7 0.05 1 513 . 51 LYS H H 8.39 0.02 1 514 . 51 LYS CA C 59.3 0.05 1 515 . 51 LYS HA H 4.09 0.02 1 516 . 51 LYS CB C 32.6 0.05 1 517 . 51 LYS HB2 H 1.95 0.02 1 518 . 51 LYS HB3 H 1.95 0.02 1 519 . 51 LYS CG C 25.3 0.05 1 520 . 51 LYS HG2 H 1.60 0.02 1 521 . 51 LYS HG3 H 1.60 0.02 1 522 . 51 LYS CD C 29.6 0.05 1 523 . 51 LYS HD2 H 1.77 0.02 1 524 . 51 LYS HD3 H 1.77 0.02 1 525 . 51 LYS CE C 42.4 0.05 1 526 . 51 LYS HE2 H 3.08 0.02 1 527 . 51 LYS HE3 H 3.08 0.02 1 528 . 51 LYS C C 176.9 0.05 1 529 . 52 ALA N N 121.7 0.05 1 530 . 52 ALA H H 7.81 0.02 1 531 . 52 ALA CA C 55.1 0.05 1 532 . 52 ALA HA H 4.18 0.02 1 533 . 52 ALA HB H 1.46 0.02 1 534 . 52 ALA CB C 20.3 0.05 1 535 . 52 ALA C C 178.5 0.05 1 536 . 53 ASN N N 115.7 0.05 1 537 . 53 ASN H H 7.32 0.02 1 538 . 53 ASN CA C 56.4 0.05 1 539 . 53 ASN HA H 4.36 0.02 1 540 . 53 ASN CB C 38.0 0.05 1 541 . 53 ASN HB2 H 2.82 0.02 2 542 . 53 ASN HB3 H 3.00 0.02 2 543 . 53 ASN ND2 N 115.7 0.05 1 544 . 53 ASN HD21 H 7.57 0.02 2 545 . 53 ASN HD22 H 8.37 0.02 2 546 . 54 ARG N N 117.5 0.05 1 547 . 54 ARG H H 7.76 0.02 1 548 . 54 ARG CA C 59.6 0.05 1 549 . 54 ARG HA H 4.04 0.02 1 550 . 54 ARG CB C 30.0 0.05 1 551 . 54 ARG HB2 H 2.00 0.02 1 552 . 54 ARG HB3 H 2.00 0.02 1 553 . 54 ARG CG C 27.9 0.05 1 554 . 54 ARG HG2 H 1.72 0.02 2 555 . 54 ARG HG3 H 1.91 0.02 2 556 . 54 ARG CD C 43.5 0.05 1 557 . 54 ARG HD2 H 3.29 0.02 2 558 . 54 ARG HD3 H 3.36 0.02 2 559 . 54 ARG C C 177.2 0.05 1 560 . 55 GLU N N 122.4 0.05 1 561 . 55 GLU H H 8.18 0.02 1 562 . 55 GLU CA C 60.0 0.05 1 563 . 55 GLU HA H 4.16 0.02 1 564 . 55 GLU CB C 29.9 0.05 1 565 . 55 GLU HB2 H 2.33 0.02 1 566 . 55 GLU HB3 H 2.33 0.02 1 567 . 55 GLU CG C 36.4 0.05 1 568 . 55 GLU HG2 H 2.62 0.02 2 569 . 55 GLU HG3 H 2.35 0.02 2 570 . 55 GLU C C 178.7 0.05 1 571 . 56 ILE N N 118.6 0.05 1 572 . 56 ILE H H 8.35 0.02 1 573 . 56 ILE CA C 66.2 0.05 1 574 . 56 ILE HA H 3.61 0.02 1 575 . 56 ILE CB C 38.3 0.05 1 576 . 56 ILE HB H 2.06 0.02 1 577 . 56 ILE HG2 H 0.70 0.02 1 578 . 56 ILE CG2 C 17.5 0.05 1 579 . 56 ILE CG1 C 31.3 0.05 1 580 . 56 ILE HG12 H 2.19 0.02 2 581 . 56 ILE HG13 H 0.99 0.02 2 582 . 56 ILE HD1 H 0.84 0.02 1 583 . 56 ILE CD1 C 14.4 0.05 1 584 . 56 ILE C C 177.9 0.05 1 585 . 57 ILE N N 118.9 0.05 1 586 . 57 ILE H H 8.16 0.02 1 587 . 57 ILE CA C 66.2 0.05 1 588 . 57 ILE HA H 3.50 0.02 1 589 . 57 ILE CB C 38.6 0.05 1 590 . 57 ILE HB H 1.91 0.02 1 591 . 57 ILE HG2 H 1.05 0.02 1 592 . 57 ILE CG2 C 17.0 0.05 1 593 . 57 ILE CG1 C 29.6 0.05 1 594 . 57 ILE HG12 H 1.79 0.02 2 595 . 57 ILE HG13 H 0.96 0.02 2 596 . 57 ILE HD1 H 0.98 0.02 1 597 . 57 ILE CD1 C 14.1 0.05 1 598 . 57 ILE C C 177.7 0.05 1 599 . 58 LYS N N 122.0 0.05 1 600 . 58 LYS H H 8.38 0.02 1 601 . 58 LYS CA C 60.2 0.05 1 602 . 58 LYS HA H 4.05 0.02 1 603 . 58 LYS CB C 33.2 0.05 1 604 . 58 LYS HB2 H 2.00 0.02 2 605 . 58 LYS HB3 H 2.05 0.02 2 606 . 58 LYS CG C 24.6 0.05 1 607 . 58 LYS HG2 H 1.34 0.02 2 608 . 58 LYS HG3 H 1.51 0.02 2 609 . 58 LYS CD C 29.6 0.05 1 610 . 58 LYS HD2 H 1.66 0.02 1 611 . 58 LYS HD3 H 1.66 0.02 1 612 . 58 LYS CE C 42.4 0.05 1 613 . 58 LYS HE2 H 3.03 0.02 1 614 . 58 LYS HE3 H 3.03 0.02 1 615 . 58 LYS C C 178.3 0.05 1 616 . 59 GLU N N 116.4 0.05 1 617 . 59 GLU H H 8.69 0.02 1 618 . 59 GLU CA C 58.3 0.05 1 619 . 59 GLU HA H 4.20 0.02 1 620 . 59 GLU CB C 27.2 0.05 1 621 . 59 GLU CG C 35.2 0.05 1 622 . 59 GLU HG2 H 2.46 0.02 2 623 . 59 GLU HG3 H 1.87 0.02 2 624 . 59 GLU C C 179.0 0.05 1 625 . 60 PHE N N 119.5 0.05 1 626 . 60 PHE H H 9.21 0.02 1 627 . 60 PHE CA C 63.2 0.05 1 628 . 60 PHE HA H 4.32 0.02 1 629 . 60 PHE CB C 39.5 0.05 1 630 . 60 PHE HB2 H 3.01 0.02 2 631 . 60 PHE HB3 H 3.76 0.02 2 632 . 60 PHE HD1 H 7.58 0.02 1 633 . 60 PHE HD2 H 7.58 0.02 1 634 . 60 PHE C C 181.8 0.05 1 635 . 61 SER N N 116.6 0.05 1 636 . 61 SER H H 8.75 0.02 1 637 . 61 SER CA C 62.1 0.05 1 638 . 61 SER HA H 4.99 0.02 1 639 . 61 SER CB C 63.5 0.05 1 640 . 61 SER HB2 H 4.23 0.02 2 641 . 61 SER HB3 H 4.28 0.02 2 642 . 61 SER C C 178.6 0.05 1 643 . 62 GLU N N 121.6 0.05 1 644 . 62 GLU H H 8.26 0.02 1 645 . 62 GLU CA C 59.1 0.05 1 646 . 62 GLU HA H 4.18 0.02 1 647 . 62 GLU CB C 29.9 0.05 1 648 . 62 GLU HB2 H 2.10 0.02 2 649 . 62 GLU HB3 H 2.17 0.02 2 650 . 62 GLU CG C 36.8 0.05 1 651 . 62 GLU HG2 H 2.33 0.02 2 652 . 62 GLU HG3 H 2.53 0.02 2 653 . 62 GLU C C 178.5 0.05 1 654 . 63 THR N N 115.3 0.05 1 655 . 63 THR H H 8.12 0.02 1 656 . 63 THR CA C 67.1 0.05 1 657 . 63 THR HA H 3.86 0.02 1 658 . 63 THR CB C 68.8 0.05 1 659 . 63 THR HB H 3.86 0.02 1 660 . 63 THR HG2 H 0.51 0.02 1 661 . 63 THR CG2 C 20.5 0.05 1 662 . 63 THR C C 179.1 0.05 1 663 . 64 PHE N N 114.2 0.05 1 664 . 64 PHE H H 8.26 0.02 1 665 . 64 PHE CA C 59.3 0.05 1 666 . 64 PHE HA H 4.55 0.02 1 667 . 64 PHE CB C 38.6 0.05 1 668 . 64 PHE HB2 H 2.99 0.02 2 669 . 64 PHE HB3 H 3.33 0.02 2 670 . 64 PHE HD1 H 6.81 0.02 1 671 . 64 PHE HD2 H 6.81 0.02 1 672 . 64 PHE HE1 H 7.60 0.02 1 673 . 64 PHE HE2 H 7.60 0.02 1 674 . 64 PHE C C 175.2 0.05 1 675 . 65 GLY N N 109.8 0.05 1 676 . 65 GLY H H 7.88 0.02 1 677 . 65 GLY CA C 47.6 0.05 1 678 . 65 GLY HA2 H 4.09 0.02 2 679 . 65 GLY HA3 H 3.96 0.02 2 680 . 65 GLY C C 175.4 0.05 1 681 . 66 ARG N N 117.3 0.05 1 682 . 66 ARG H H 7.41 0.02 1 683 . 66 ARG CA C 52.4 0.05 1 684 . 66 ARG CB C 37.0 0.05 1 685 . 66 ARG HB2 H 2.52 0.02 2 686 . 66 ARG HB3 H 1.29 0.02 2 687 . 66 ARG CG C 27.0 0.05 1 688 . 66 ARG HG2 H 1.80 0.02 2 689 . 66 ARG HG3 H 1.58 0.02 2 690 . 66 ARG CD C 42.8 0.05 1 691 . 66 ARG HD2 H 3.66 0.02 2 692 . 66 ARG HD3 H 3.58 0.02 2 693 . 66 ARG C C 175.0 0.05 1 694 . 67 ASP N N 120.0 0.05 1 695 . 67 ASP H H 8.71 0.02 1 696 . 67 ASP CA C 55.6 0.05 1 697 . 67 ASP HA H 4.69 0.02 1 698 . 67 ASP CB C 41.4 0.05 1 699 . 67 ASP HB2 H 2.52 0.02 2 700 . 67 ASP HB3 H 2.65 0.02 2 701 . 67 ASP C C 175.0 0.05 1 702 . 68 VAL N N 118.9 0.05 1 703 . 68 VAL H H 7.94 0.02 1 704 . 68 VAL CA C 60.0 0.05 1 705 . 68 VAL HA H 5.29 0.02 1 706 . 68 VAL CB C 36.0 0.05 1 707 . 68 VAL HB H 2.00 0.02 1 708 . 68 VAL HG1 H 1.10 0.02 2 709 . 68 VAL HG2 H 0.90 0.02 2 710 . 68 VAL CG1 C 22.2 0.05 1 711 . 68 VAL CG2 C 22.4 0.05 1 712 . 68 VAL C C 175.4 0.05 1 713 . 69 GLU N N 121.7 0.05 1 714 . 69 GLU H H 8.55 0.02 1 715 . 69 GLU CA C 54.1 0.05 1 716 . 69 GLU HA H 4.72 0.02 1 717 . 69 GLU CB C 34.7 0.05 1 718 . 69 GLU HB2 H 1.96 0.02 2 719 . 69 GLU HB3 H 1.88 0.02 2 720 . 69 GLU CG C 36.3 0.05 1 721 . 69 GLU HG2 H 2.15 0.02 1 722 . 69 GLU HG3 H 2.15 0.02 1 723 . 69 GLU C C 174.0 0.05 1 724 . 70 ILE N N 123.2 0.05 1 725 . 70 ILE H H 9.08 0.02 1 726 . 70 ILE CA C 60.9 0.05 1 727 . 70 ILE HA H 4.37 0.02 1 728 . 70 ILE CB C 37.0 0.05 1 729 . 70 ILE HB H 1.98 0.02 1 730 . 70 ILE HG2 H 0.76 0.02 1 731 . 70 ILE CG2 C 18.0 0.05 1 732 . 70 ILE CG1 C 28.0 0.05 1 733 . 70 ILE HG12 H 1.23 0.02 2 734 . 70 ILE HG13 H 1.48 0.02 2 735 . 70 ILE HD1 H 0.85 0.02 1 736 . 70 ILE CD1 C 12.5 0.05 1 737 . 70 ILE C C 175.2 0.05 1 738 . 71 VAL N N 122.7 0.05 1 739 . 71 VAL H H 8.59 0.02 1 740 . 71 VAL CA C 62.6 0.05 1 741 . 71 VAL HA H 4.30 0.02 1 742 . 71 VAL CB C 33.0 0.05 1 743 . 71 VAL HB H 2.04 0.02 1 744 . 71 VAL HG1 H 0.89 0.02 2 745 . 71 VAL HG2 H 0.77 0.02 2 746 . 71 VAL CG1 C 21.9 0.05 1 747 . 71 VAL CG2 C 20.9 0.05 1 748 . 71 VAL C C 175.6 0.05 1 749 . 72 SER N N 113.3 0.05 1 750 . 72 SER H H 7.72 0.02 1 751 . 72 SER CA C 58.0 0.05 1 752 . 72 SER HA H 4.81 0.02 1 753 . 72 SER CB C 65.2 0.05 1 754 . 72 SER HB2 H 3.72 0.02 2 755 . 72 SER HB3 H 3.90 0.02 2 756 . 72 SER C C 176.1 0.05 1 757 . 73 GLY N N 110.7 0.05 1 758 . 73 GLY H H 9.07 0.02 1 759 . 73 GLY CA C 46.4 0.05 1 760 . 73 GLY HA2 H 4.80 0.02 2 761 . 73 GLY HA3 H 3.97 0.02 2 762 . 73 GLY C C 174.0 0.05 1 763 . 74 GLN N N 122.5 0.05 1 764 . 74 GLN H H 9.44 0.02 1 765 . 74 GLN CA C 61.5 0.05 1 766 . 74 GLN HA H 3.73 0.02 1 767 . 74 GLN CB C 28.0 0.05 1 768 . 74 GLN HB2 H 2.05 0.02 2 769 . 74 GLN HB3 H 2.18 0.02 2 770 . 74 GLN CG C 35.2 0.05 1 771 . 74 GLN HG2 H 2.27 0.02 2 772 . 74 GLN HG3 H 2.71 0.02 2 773 . 74 GLN NE2 N 110.7 0.05 1 774 . 74 GLN HE21 H 6.53 0.02 2 775 . 74 GLN HE22 H 7.54 0.02 2 776 . 74 GLN C C 176.6 0.05 1 777 . 75 LYS N N 115.0 0.05 1 778 . 75 LYS H H 8.60 0.02 1 779 . 75 LYS CA C 54.8 0.05 1 780 . 75 LYS HA H 4.74 0.02 1 781 . 75 LYS CB C 32.1 0.05 1 782 . 75 LYS HB2 H 1.72 0.02 2 783 . 75 LYS HB3 H 2.17 0.02 2 784 . 75 LYS CG C 25.4 0.05 1 785 . 75 LYS HG2 H 1.43 0.02 1 786 . 75 LYS HG3 H 1.43 0.02 1 787 . 75 LYS CD C 29.5 0.05 1 788 . 75 LYS HD2 H 1.74 0.02 1 789 . 75 LYS HD3 H 1.74 0.02 1 790 . 75 LYS C C 177.6 0.05 1 791 . 76 SER N N 113.6 0.05 1 792 . 76 SER H H 7.51 0.02 1 793 . 76 SER CA C 55.9 0.05 1 794 . 76 SER HA H 4.82 0.02 1 795 . 76 SER CB C 65.2 0.05 1 796 . 76 SER HB2 H 3.88 0.02 1 797 . 76 SER HB3 H 3.88 0.02 1 798 . 76 SER C C 175.1 0.05 1 799 . 77 ARG N N 120.6 0.05 1 800 . 77 ARG H H 8.40 0.02 1 801 . 77 ARG CA C 59.0 0.05 1 802 . 77 ARG HA H 4.01 0.02 1 803 . 77 ARG CB C 30.8 0.05 1 804 . 77 ARG HB2 H 1.97 0.02 1 805 . 77 ARG HB3 H 1.97 0.02 1 806 . 77 ARG CG C 29.4 0.05 1 807 . 77 ARG HG2 H 1.66 0.02 2 808 . 77 ARG HG3 H 1.81 0.02 2 809 . 77 ARG CD C 43.3 0.05 1 810 . 77 ARG HD2 H 3.37 0.02 2 811 . 77 ARG HD3 H 3.26 0.02 2 812 . 77 ARG C C 172.7 0.05 1 813 . 78 GLN N N 118.0 0.05 1 814 . 78 GLN H H 8.19 0.02 1 815 . 78 GLN CA C 55.9 0.05 1 816 . 78 GLN HA H 4.80 0.02 1 817 . 78 GLN CB C 28.1 0.05 1 818 . 78 GLN HB2 H 2.15 0.02 2 819 . 78 GLN HB3 H 1.59 0.02 2 820 . 78 GLN CG C 34.5 0.05 1 821 . 78 GLN HG2 H 2.22 0.02 2 822 . 78 GLN HG3 H 2.42 0.02 2 823 . 78 GLN NE2 N 110.7 0.05 1 824 . 78 GLN HE21 H 6.83 0.02 2 825 . 78 GLN HE22 H 7.83 0.02 2 826 . 78 GLN C C 176.6 0.05 1 827 . 79 LYS N N 119.3 0.05 1 828 . 79 LYS H H 7.75 0.02 1 829 . 79 LYS CA C 54.5 0.05 1 830 . 79 LYS HA H 5.12 0.02 1 831 . 79 LYS CB C 37.7 0.05 1 832 . 79 LYS HB2 H 1.20 0.02 2 833 . 79 LYS HB3 H 1.80 0.02 2 834 . 79 LYS CG C 25.2 0.05 1 835 . 79 LYS HG2 H 2.16 0.02 2 836 . 79 LYS HG3 H 1.03 0.02 2 837 . 79 LYS CD C 30.9 0.05 1 838 . 79 LYS CE C 43.5 0.05 1 839 . 79 LYS C C 174.6 0.05 1 840 . 80 THR N N 118.1 0.05 1 841 . 80 THR H H 8.08 0.02 1 842 . 80 THR CA C 62.2 0.05 1 843 . 80 THR HA H 5.30 0.02 1 844 . 80 THR CB C 71.3 0.05 1 845 . 80 THR HB H 3.75 0.02 1 846 . 80 THR HG2 H 1.15 0.02 1 847 . 80 THR CG2 C 22.3 0.05 1 848 . 80 THR C C 175.5 0.05 1 849 . 81 ILE N N 124.2 0.05 1 850 . 81 ILE H H 9.18 0.02 1 851 . 81 ILE CA C 58.4 0.05 1 852 . 81 ILE HA H 5.02 0.02 1 853 . 81 ILE CB C 40.2 0.05 1 854 . 81 ILE HB H 1.65 0.02 1 855 . 81 ILE HG2 H 0.59 0.02 1 856 . 81 ILE CG2 C 18.0 0.05 1 857 . 81 ILE CG1 C 27.2 0.05 1 858 . 81 ILE HG12 H 0.93 0.02 2 859 . 81 ILE HG13 H 1.11 0.02 2 860 . 81 ILE HD1 H 0.02 0.02 1 861 . 81 ILE CD1 C 13.2 0.05 1 862 . 81 ILE C C 173.8 0.05 1 863 . 82 ARG N N 124.9 0.05 1 864 . 82 ARG H H 9.30 0.02 1 865 . 82 ARG CA C 54.2 0.05 1 866 . 82 ARG HA H 5.31 0.02 1 867 . 82 ARG CB C 34.0 0.05 1 868 . 82 ARG HB2 H 1.38 0.02 2 869 . 82 ARG HB3 H 1.75 0.02 2 870 . 82 ARG CG C 28.2 0.05 1 871 . 82 ARG HG2 H 1.17 0.02 2 872 . 82 ARG HG3 H 1.29 0.02 2 873 . 82 ARG CD C 43.7 0.05 1 874 . 82 ARG HD2 H 3.15 0.02 1 875 . 82 ARG HD3 H 3.15 0.02 1 876 . 82 ARG C C 173.0 0.05 1 877 . 83 ILE N N 128.2 0.05 1 878 . 83 ILE H H 9.65 0.02 1 879 . 83 ILE CA C 60.6 0.05 1 880 . 83 ILE HA H 4.47 0.02 1 881 . 83 ILE CB C 38.8 0.05 1 882 . 83 ILE HB H 1.65 0.02 1 883 . 83 ILE HG2 H 0.84 0.02 1 884 . 83 ILE CG2 C 18.2 0.05 1 885 . 83 ILE CG1 C 27.3 0.05 1 886 . 83 ILE HG12 H 1.46 0.02 1 887 . 83 ILE HG13 H 1.46 0.02 1 888 . 83 ILE HD1 H 0.52 0.02 1 889 . 83 ILE CD1 C 14.7 0.05 1 890 . 83 ILE C C 174.7 0.05 1 891 . 84 GLN N N 128.2 0.05 1 892 . 84 GLN H H 8.47 0.02 1 893 . 84 GLN CA C 56.0 0.05 1 894 . 84 GLN HA H 4.44 0.02 1 895 . 84 GLN CB C 29.7 0.05 1 896 . 84 GLN HB2 H 1.99 0.02 2 897 . 84 GLN HB3 H 2.18 0.02 2 898 . 84 GLN CG C 34.6 0.05 1 899 . 84 GLN HG2 H 2.29 0.02 2 900 . 84 GLN HG3 H 2.43 0.02 2 901 . 84 GLN NE2 N 111.8 0.05 1 902 . 84 GLN HE21 H 7.04 0.02 2 903 . 84 GLN HE22 H 7.70 0.02 2 904 . 84 GLN C C 175.3 0.05 1 905 . 85 GLY N N 113.7 0.05 1 906 . 85 GLY H H 9.00 0.02 1 907 . 85 GLY CA C 48.7 0.05 1 908 . 85 GLY HA2 H 4.00 0.02 2 909 . 85 GLY HA3 H 3.79 0.02 2 910 . 85 GLY C C 177.2 0.05 1 911 . 86 MET N N 120.6 0.05 1 912 . 86 MET H H 8.00 0.02 1 913 . 86 MET CA C 54.6 0.05 1 914 . 86 MET HA H 4.73 0.02 1 915 . 86 MET CB C 35.7 0.05 1 916 . 86 MET HB2 H 1.70 0.02 2 917 . 86 MET HB3 H 1.84 0.02 2 918 . 86 MET CG C 32.5 0.05 1 919 . 86 MET HG2 H 2.52 0.02 2 920 . 86 MET HG3 H 2.72 0.02 2 921 . 86 MET HE H 2.22 0.02 1 922 . 86 MET CE C 16.8 0.05 1 923 . 86 MET C C 175.2 0.05 1 924 . 87 GLY N N 110.4 0.05 1 925 . 87 GLY H H 7.41 0.02 1 926 . 87 GLY CA C 43.5 0.05 1 927 . 87 GLY HA2 H 4.58 0.02 2 928 . 87 GLY HA3 H 3.86 0.02 2 929 . 87 GLY C C 172.4 0.05 1 930 . 88 ARG N N 121.3 0.05 1 931 . 88 ARG H H 10.05 0.02 1 932 . 88 ARG CA C 60.3 0.05 1 933 . 88 ARG HA H 3.78 0.02 1 934 . 88 ARG CB C 30.7 0.05 1 935 . 88 ARG HB2 H 1.65 0.02 2 936 . 88 ARG HB3 H 1.79 0.02 2 937 . 88 ARG CG C 28.0 0.05 1 938 . 88 ARG HG2 H 1.54 0.02 2 939 . 88 ARG HG3 H 1.61 0.02 2 940 . 88 ARG CD C 43.6 0.05 1 941 . 88 ARG HD2 H 3.20 0.02 1 942 . 88 ARG HD3 H 3.20 0.02 1 943 . 88 ARG C C 173.8 0.05 1 944 . 89 ASP N N 117.2 0.05 1 945 . 89 ASP H H 8.56 0.02 1 946 . 89 ASP CA C 58.0 0.05 1 947 . 89 ASP HA H 4.35 0.02 1 948 . 89 ASP CB C 40.0 0.05 1 949 . 89 ASP HB2 H 2.68 0.02 1 950 . 89 ASP HB3 H 2.68 0.02 1 951 . 89 ASP C C 177.1 0.05 1 952 . 90 LEU N N 122.1 0.05 1 953 . 90 LEU H H 8.27 0.02 1 954 . 90 LEU CA C 57.6 0.05 1 955 . 90 LEU HA H 4.33 0.02 1 956 . 90 LEU CB C 41.3 0.05 1 957 . 90 LEU HB2 H 1.68 0.02 2 958 . 90 LEU HB3 H 1.93 0.02 2 959 . 90 LEU CG C 26.3 0.05 1 960 . 90 LEU HG H 1.17 0.02 1 961 . 90 LEU CD1 C 22.9 0.05 1 962 . 90 LEU HD1 H 1.13 0.02 1 963 . 90 LEU HD2 H 1.13 0.02 1 964 . 90 LEU C C 179.2 0.05 1 965 . 91 PHE N N 120.2 0.05 1 966 . 91 PHE H H 8.01 0.02 1 967 . 91 PHE CA C 63.1 0.05 1 968 . 91 PHE HA H 4.08 0.02 1 969 . 91 PHE CB C 40.2 0.05 1 970 . 91 PHE HB2 H 2.99 0.02 1 971 . 91 PHE HB3 H 2.99 0.02 1 972 . 91 PHE HD1 H 6.73 0.02 1 973 . 91 PHE HD2 H 6.73 0.02 1 974 . 91 PHE C C 177.7 0.05 1 975 . 92 LEU N N 117.1 0.05 1 976 . 92 LEU H H 8.62 0.02 1 977 . 92 LEU CA C 57.9 0.05 1 978 . 92 LEU HA H 3.94 0.02 1 979 . 92 LEU CB C 41.8 0.05 1 980 . 92 LEU HB2 H 2.04 0.02 2 981 . 92 LEU HB3 H 1.50 0.02 2 982 . 92 LEU CG C 25.8 0.05 1 983 . 92 LEU HG H 0.93 0.02 1 984 . 92 LEU CD1 C 24.0 0.05 1 985 . 92 LEU HD1 H 0.93 0.02 1 986 . 92 LEU HD2 H 0.93 0.02 1 987 . 92 LEU C C 177.1 0.05 1 988 . 93 LYS N N 121.7 0.05 1 989 . 93 LYS H H 7.88 0.02 1 990 . 93 LYS CA C 59.7 0.05 1 991 . 93 LYS HA H 4.12 0.02 1 992 . 93 LYS CB C 32.8 0.05 1 993 . 93 LYS HB2 H 2.07 0.02 2 994 . 93 LYS HB3 H 2.15 0.02 2 995 . 93 LYS CG C 25.0 0.05 1 996 . 93 LYS HG2 H 1.42 0.02 1 997 . 93 LYS HG3 H 1.42 0.02 1 998 . 93 LYS CD C 29.8 0.05 1 999 . 93 LYS HD2 H 1.61 0.02 1 1000 . 93 LYS HD3 H 1.61 0.02 1 1001 . 93 LYS CE C 42.5 0.05 1 1002 . 93 LYS HE2 H 3.04 0.02 1 1003 . 93 LYS HE3 H 3.04 0.02 1 1004 . 93 LYS C C 180.5 0.05 1 1005 . 94 LEU N N 119.8 0.05 1 1006 . 94 LEU H H 8.56 0.02 1 1007 . 94 LEU CA C 58.2 0.05 1 1008 . 94 LEU HA H 4.21 0.02 1 1009 . 94 LEU CB C 42.9 0.05 1 1010 . 94 LEU HB2 H 2.15 0.02 2 1011 . 94 LEU HB3 H 1.26 0.02 2 1012 . 94 LEU CG C 27.0 0.05 1 1013 . 94 LEU HG H 1.16 0.02 1 1014 . 94 LEU CD1 C 22.5 0.05 1 1015 . 94 LEU HD1 H 0.95 0.02 1 1016 . 94 LEU HD2 H 0.95 0.02 1 1017 . 94 LEU C C 178.9 0.05 1 1018 . 95 VAL N N 117.8 0.05 1 1019 . 95 VAL H H 8.94 0.02 1 1020 . 95 VAL CA C 66.8 0.05 1 1021 . 95 VAL HA H 4.01 0.02 1 1022 . 95 VAL CB C 31.6 0.05 1 1023 . 95 VAL HB H 2.01 0.02 1 1024 . 95 VAL HG1 H 0.77 0.02 2 1025 . 95 VAL HG2 H 0.95 0.02 2 1026 . 95 VAL CG1 C 23.1 0.05 1 1027 . 95 VAL CG2 C 22.5 0.05 1 1028 . 95 VAL C C 180.0 0.05 1 1029 . 96 SER N N 117.3 0.05 1 1030 . 96 SER H H 7.89 0.02 1 1031 . 96 SER CA C 61.8 0.05 1 1032 . 96 SER HA H 4.29 0.02 1 1033 . 96 SER CB C 63.0 0.05 1 1034 . 96 SER HB2 H 4.10 0.02 1 1035 . 96 SER HB3 H 4.10 0.02 1 1036 . 96 SER C C 179.0 0.05 1 1037 . 97 GLU N N 120.2 0.05 1 1038 . 97 GLU H H 8.36 0.02 1 1039 . 97 GLU CA C 59.5 0.05 1 1040 . 97 GLU HA H 4.04 0.02 1 1041 . 97 GLU CB C 30.4 0.05 1 1042 . 97 GLU HB2 H 2.19 0.02 2 1043 . 97 GLU HB3 H 2.04 0.02 2 1044 . 97 GLU CG C 36.6 0.05 1 1045 . 97 GLU HG2 H 2.21 0.02 2 1046 . 97 GLU HG3 H 2.50 0.02 2 1047 . 97 GLU C C 177.8 0.05 1 1048 . 98 LYS N N 114.8 0.05 1 1049 . 98 LYS H H 8.52 0.02 1 1050 . 98 LYS CA C 58.2 0.05 1 1051 . 98 LYS HA H 4.01 0.02 1 1052 . 98 LYS CB C 33.7 0.05 1 1053 . 98 LYS HB2 H 0.83 0.02 2 1054 . 98 LYS HB3 H 1.36 0.02 2 1055 . 98 LYS CG C 25.9 0.05 1 1056 . 98 LYS HG2 H 1.24 0.02 2 1057 . 98 LYS HG3 H 1.18 0.02 2 1058 . 98 LYS CD C 29.3 0.05 1 1059 . 98 LYS HD2 H 1.18 0.02 2 1060 . 98 LYS HD3 H 1.36 0.02 2 1061 . 98 LYS CE C 42.3 0.05 1 1062 . 98 LYS HE2 H 2.83 0.02 2 1063 . 98 LYS HE3 H 2.94 0.02 2 1064 . 98 LYS C C 178.8 0.05 1 1065 . 99 PHE N N 112.7 0.05 1 1066 . 99 PHE H H 7.72 0.02 1 1067 . 99 PHE CA C 57.5 0.05 1 1068 . 99 PHE HA H 4.94 0.02 1 1069 . 99 PHE CB C 40.9 0.05 1 1070 . 99 PHE HB2 H 3.59 0.02 2 1071 . 99 PHE HB3 H 2.95 0.02 2 1072 . 99 PHE HD1 H 6.79 0.02 1 1073 . 99 PHE HD2 H 6.79 0.02 1 1074 . 99 PHE HE1 H 7.17 0.02 1 1075 . 99 PHE HE2 H 7.17 0.02 1 1076 . 99 PHE C C 177.8 0.05 1 1077 . 100 GLY N N 110.5 0.05 1 1078 . 100 GLY H H 7.84 0.02 1 1079 . 100 GLY CA C 46.8 0.05 1 1080 . 100 GLY HA2 H 4.16 0.02 2 1081 . 100 GLY HA3 H 4.06 0.02 2 1082 . 100 GLY C C 176.3 0.05 1 1083 . 101 LEU N N 119.4 0.05 1 1084 . 101 LEU H H 6.79 0.02 1 1085 . 101 LEU CA C 54.1 0.05 1 1086 . 101 LEU HA H 4.54 0.02 1 1087 . 101 LEU CB C 44.2 0.05 1 1088 . 101 LEU HB2 H 1.43 0.02 1 1089 . 101 LEU HB3 H 1.43 0.02 1 1090 . 101 LEU CG C 27.1 0.05 1 1091 . 101 LEU HG H 1.38 0.02 1 1092 . 101 LEU HD1 H 0.86 0.02 2 1093 . 101 LEU HD2 H 0.78 0.02 2 1094 . 101 LEU CD1 C 24.6 0.05 1 1095 . 101 LEU CD2 C 25.0 0.05 1 1096 . 101 LEU C C 173.6 0.05 1 1097 . 102 GLU N N 125.0 0.05 1 1098 . 102 GLU H H 8.48 0.02 1 1099 . 102 GLU CA C 54.9 0.05 1 1100 . 102 GLU HA H 4.45 0.02 1 1101 . 102 GLU CB C 30.7 0.05 1 1102 . 102 GLU HB2 H 1.92 0.02 2 1103 . 102 GLU HB3 H 1.87 0.02 2 1104 . 102 GLU CG C 36.1 0.05 1 1105 . 102 GLU HG2 H 2.10 0.02 2 1106 . 102 GLU HG3 H 2.23 0.02 2 1107 . 102 GLU C C 175.0 0.05 1 1108 . 103 ILE N N 126.0 0.05 1 1109 . 103 ILE H H 7.75 0.02 1 1110 . 103 ILE CA C 58.0 0.05 1 1111 . 103 ILE HA H 3.98 0.02 1 1112 . 103 ILE CB C 39.1 0.05 1 1113 . 103 ILE HB H 1.64 0.02 1 1114 . 103 ILE HG2 H 0.46 0.02 1 1115 . 103 ILE CG2 C 15.9 0.05 1 1116 . 103 ILE CG1 C 27.3 0.05 1 1117 . 103 ILE HG12 H 1.25 0.02 2 1118 . 103 ILE HG13 H 0.57 0.02 2 1119 . 103 ILE HD1 H 0.69 0.02 1 1120 . 103 ILE CD1 C 13.6 0.05 1 1121 . 103 ILE C C 174.7 0.05 1 1122 . 104 PRO CD C 50.7 0.05 1 1123 . 104 PRO CA C 64.5 0.05 1 1124 . 104 PRO HA H 4.23 0.02 1 1125 . 104 PRO CB C 32.1 0.05 1 1126 . 104 PRO HB2 H 1.93 0.02 2 1127 . 104 PRO HB3 H 2.21 0.02 2 1128 . 104 PRO CG C 27.5 0.05 1 1129 . 104 PRO HG2 H 1.99 0.02 1 1130 . 104 PRO HG3 H 1.99 0.02 1 1131 . 104 PRO HD2 H 3.21 0.02 2 1132 . 104 PRO HD3 H 3.54 0.02 2 stop_ save_