data_5106 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; An NMR Approach to Structural Proteomics ; 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_ _BMRB_accession_number 5106 _BMRB_flat_file_name bmr5106.str _Entry_type new _Submission_date 2001-08-14 _Accession_date 2001-08-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 414 '15N chemical shifts' 68 '13C chemical shifts' 305 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; An NMR Approach to Structural Proteomics ; _Citation_status published _Citation_type journal _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 _Page_first 1825 _Page_last 1830 _Year 2002 save_ ################################## # Molecular system description # ################################## save_system_MTH1743 _Saveframe_category molecular_system _Mol_system_name MTH1743 _Abbreviation_common MTH1743 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MTH1743 $MTH1743 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' save_ ######################## # Monomeric polymers # ######################## save_MTH1743 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MTH1743 _Name_variant . _Abbreviation_common MTH1743 _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; MVIGMKFTVITDDGKKILES GAPRRIKDVLGELEIPIETV VVKKNGQIVIDEEEIFDGDI IEVIRVIYGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 4 MET 2 5 VAL 3 6 ILE 4 7 GLY 5 8 MET 6 9 LYS 7 10 PHE 8 11 THR 9 12 VAL 10 13 ILE 11 14 THR 12 15 ASP 13 16 ASP 14 17 GLY 15 18 LYS 16 19 LYS 17 20 ILE 18 21 LEU 19 22 GLU 20 23 SER 21 24 GLY 22 25 ALA 23 26 PRO 24 27 ARG 25 28 ARG 26 29 ILE 27 30 LYS 28 31 ASP 29 32 VAL 30 33 LEU 31 34 GLY 32 35 GLU 33 36 LEU 34 37 GLU 35 38 ILE 36 39 PRO 37 40 ILE 38 41 GLU 39 42 THR 40 43 VAL 41 44 VAL 42 45 VAL 43 46 LYS 44 47 LYS 45 48 ASN 46 49 GLY 47 50 GLN 48 51 ILE 49 52 VAL 50 53 ILE 51 54 ASP 52 55 GLU 53 56 GLU 54 57 GLU 55 58 ILE 56 59 PHE 57 60 ASP 58 61 GLY 59 62 ASP 60 63 ILE 61 64 ILE 62 65 GLU 63 66 VAL 64 67 ILE 65 68 ARG 66 69 VAL 67 70 ILE 68 71 TYR 69 72 GLY 70 73 GLY stop_ _Sequence_homology_query_date 2002-09-08 _Sequence_homology_query_revised_last_date 2002-09-08 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 1JSB "A Chain A, Solution Structure Of Hypothetical Protein Mth1743 From Methanobacterium Thermoautotrophicum" 95.89% 73 100% 100% 2e-32 GenBank AAB86213.1 "(AE000930) unknown [Methanothermobacter thermautotrophicus str. Delta H]" 100.00% 70 100% 100% 2e-32 PIR ? "B69100 hypothetical protein MTH1743 - Methanobacterium thermoautotrophicum (strain Delta H)" 100.00% 70 100% 100% 2e-32 REF NP_276853.1 "(NC_000916) unknown [Methanothermobacter thermautotrophicus] [Methanothermobacter thermautotrophicus str. Delta H]" 100.00% 70 100% 100% 2e-32 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MTH1743 'Methanothermobacter thermoautotrophicus' 145262 Archaea Euryarchaeota Methanobacterium thermoautotrophicum 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 $MTH1743 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SAMPLE_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MTH1743 . 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 save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 600 save_ ####################### # Sample conditions # ####################### save_EX-COND_1 _Saveframe_category sample_conditions 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 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 # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_CS_MTH1743 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $SAMPLE_1 stop_ _Sample_conditions_label $EX-COND_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name MTH1743 loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 1 MET CA C 55.7 0.05 1 2 4 1 MET HA H 4.46 0.02 1 3 4 1 MET CB C 33.3 0.05 1 4 4 1 MET HB2 H 2.51 0.02 2 5 4 1 MET HB3 H 2.45 0.02 2 6 4 1 MET CG C 32.0 0.05 1 7 4 1 MET HG2 H 2.51 0.02 2 8 4 1 MET HG3 H 2.46 0.02 2 9 4 1 MET C C 175.6 0.05 1 10 5 2 VAL N N 122.4 0.05 1 11 5 2 VAL H H 8.29 0.02 1 12 5 2 VAL CA C 62.4 0.05 1 13 5 2 VAL HA H 4.12 0.02 1 14 5 2 VAL CB C 32.6 0.05 1 15 5 2 VAL HB H 1.91 0.02 1 16 5 2 VAL HG1 H 0.93 0.02 1 17 5 2 VAL HG2 H 0.93 0.02 1 18 5 2 VAL CG1 C 20.8 0.05 1 19 5 2 VAL CG2 C 21.0 0.05 1 20 5 2 VAL C C 175.7 0.05 1 21 6 3 ILE N N 125.0 0.05 1 22 6 3 ILE H H 8.24 0.02 1 23 6 3 ILE CA C 60.9 0.05 1 24 6 3 ILE HA H 4.21 0.02 1 25 6 3 ILE CB C 38.7 0.05 1 26 6 3 ILE HB H 1.86 0.02 1 27 6 3 ILE HG2 H 0.84 0.02 1 28 6 3 ILE CG2 C 17.1 0.05 1 29 6 3 ILE CG1 C 27.4 0.05 1 30 6 3 ILE HG12 H 1.51 0.02 2 31 6 3 ILE HG13 H 1.20 0.02 2 32 6 3 ILE HD1 H 0.86 0.02 1 33 6 3 ILE CD1 C 12.8 0.05 1 34 6 3 ILE C C 176.0 0.05 1 35 7 4 GLY N N 112.9 0.05 1 36 7 4 GLY H H 8.33 0.02 1 37 7 4 GLY CA C 45.3 0.05 1 38 7 4 GLY HA2 H 4.14 0.02 2 39 7 4 GLY HA3 H 4.02 0.02 2 40 7 4 GLY C C 172.8 0.05 1 41 8 5 MET N N 118.4 0.05 1 42 8 5 MET H H 8.54 0.02 1 43 8 5 MET CA C 54.8 0.05 1 44 8 5 MET HA H 4.82 0.02 1 45 8 5 MET CB C 35.5 0.05 1 46 8 5 MET HB2 H 2.19 0.02 2 47 8 5 MET HB3 H 1.96 0.02 2 48 8 5 MET CG C 31.5 0.05 1 49 8 5 MET HG2 H 2.53 0.02 2 50 8 5 MET HG3 H 2.38 0.02 2 51 8 5 MET HE H 1.91 0.02 1 52 8 5 MET CE C 18.2 0.05 1 53 8 5 MET C C 174.1 0.05 1 54 9 6 LYS N N 122.0 0.05 1 55 9 6 LYS H H 9.15 0.02 1 56 9 6 LYS CA C 55.1 0.05 1 57 9 6 LYS HA H 5.43 0.02 1 58 9 6 LYS CB C 36.1 0.05 1 59 9 6 LYS HB2 H 1.71 0.02 2 60 9 6 LYS HB3 H 1.61 0.02 2 61 9 6 LYS CG C 24.9 0.05 1 62 9 6 LYS HG2 H 1.39 0.02 2 63 9 6 LYS HG3 H 1.31 0.02 2 64 9 6 LYS CD C 29.6 0.05 1 65 9 6 LYS HD2 H 1.63 0.02 2 66 9 6 LYS HD3 H 1.57 0.02 2 67 9 6 LYS CE C 41.9 0.05 1 68 9 6 LYS HE2 H 2.91 0.02 1 69 9 6 LYS HE3 H 2.91 0.02 1 70 9 6 LYS C C 174.5 0.05 1 71 10 7 PHE N N 119.3 0.05 1 72 10 7 PHE H H 8.67 0.02 1 73 10 7 PHE CA C 55.7 0.05 1 74 10 7 PHE HA H 5.19 0.02 1 75 10 7 PHE CB C 40.1 0.05 1 76 10 7 PHE HB2 H 3.14 0.02 2 77 10 7 PHE HB3 H 3.08 0.02 2 78 10 7 PHE HD1 H 6.75 0.02 1 79 10 7 PHE HD2 H 6.75 0.02 1 80 10 7 PHE HE1 H 6.88 0.02 1 81 10 7 PHE HE2 H 6.88 0.02 1 82 10 7 PHE C C 172.4 0.05 1 83 11 8 THR N N 116.5 0.05 1 84 11 8 THR H H 8.44 0.02 1 85 11 8 THR CA C 62.2 0.05 1 86 11 8 THR HA H 5.07 0.02 1 87 11 8 THR CB C 70.8 0.05 1 88 11 8 THR HB H 4.05 0.02 1 89 11 8 THR HG2 H 1.14 0.02 1 90 11 8 THR CG2 C 21.2 0.05 1 91 11 8 THR C C 173.3 0.05 1 92 12 9 VAL N N 126.2 0.05 1 93 12 9 VAL H H 9.40 0.02 1 94 12 9 VAL CA C 60.7 0.05 1 95 12 9 VAL HA H 5.09 0.02 1 96 12 9 VAL CB C 34.1 0.05 1 97 12 9 VAL HB H 1.89 0.02 1 98 12 9 VAL HG1 H 0.96 0.02 2 99 12 9 VAL HG2 H 0.77 0.02 2 100 12 9 VAL CG1 C 22.0 0.05 1 101 12 9 VAL CG2 C 21.0 0.05 1 102 12 9 VAL C C 174.5 0.05 1 103 13 10 ILE N N 129.6 0.05 1 104 13 10 ILE H H 9.56 0.02 1 105 13 10 ILE CA C 61.4 0.05 1 106 13 10 ILE HA H 4.64 0.02 1 107 13 10 ILE CB C 39.7 0.05 1 108 13 10 ILE HB H 1.78 0.02 1 109 13 10 ILE HG2 H 0.95 0.02 1 110 13 10 ILE CG2 C 17.6 0.05 1 111 13 10 ILE CG1 C 28.0 0.05 1 112 13 10 ILE HG12 H 1.57 0.02 1 113 13 10 ILE HG13 H 1.57 0.02 1 114 13 10 ILE HD1 H 0.83 0.02 1 115 13 10 ILE CD1 C 13.6 0.05 1 116 13 10 ILE C C 175.2 0.05 1 117 14 11 THR N N 116.8 0.05 1 118 14 11 THR H H 8.43 0.02 1 119 14 11 THR CA C 59.2 0.05 1 120 14 11 THR HA H 5.16 0.02 1 121 14 11 THR CB C 71.9 0.05 1 122 14 11 THR HB H 4.66 0.02 1 123 14 11 THR HG2 H 1.12 0.02 1 124 14 11 THR CG2 C 21.1 0.05 1 125 14 11 THR C C 175.8 0.05 1 126 15 12 ASP N N 120.0 0.05 1 127 15 12 ASP H H 9.01 0.02 1 128 15 12 ASP CA C 56.9 0.05 1 129 15 12 ASP HA H 4.44 0.02 1 130 15 12 ASP CB C 40.9 0.05 1 131 15 12 ASP HB2 H 2.78 0.02 2 132 15 12 ASP HB3 H 2.67 0.02 2 133 15 12 ASP C C 176.6 0.05 1 134 16 13 ASP N N 115.3 0.05 1 135 16 13 ASP H H 8.09 0.02 1 136 16 13 ASP CA C 53.4 0.05 1 137 16 13 ASP HA H 4.73 0.02 1 138 16 13 ASP CB C 41.8 0.05 1 139 16 13 ASP HB2 H 2.72 0.02 2 140 16 13 ASP HB3 H 2.47 0.02 2 141 16 13 ASP C C 175.7 0.05 1 142 17 14 GLY N N 108.0 0.05 1 143 17 14 GLY H H 7.61 0.02 1 144 17 14 GLY CA C 44.9 0.05 1 145 17 14 GLY HA2 H 4.45 0.02 2 146 17 14 GLY HA3 H 3.86 0.02 2 147 17 14 GLY C C 171.8 0.05 1 148 18 15 LYS N N 120.6 0.05 1 149 18 15 LYS H H 8.43 0.02 1 150 18 15 LYS CA C 55.4 0.05 1 151 18 15 LYS HA H 5.08 0.02 1 152 18 15 LYS CB C 34.6 0.05 1 153 18 15 LYS HB2 H 1.74 0.02 2 154 18 15 LYS HB3 H 1.68 0.02 2 155 18 15 LYS CG C 24.9 0.05 1 156 18 15 LYS HG2 H 1.34 0.02 2 157 18 15 LYS HG3 H 1.21 0.02 2 158 18 15 LYS CD C 29.4 0.05 1 159 18 15 LYS HD2 H 1.60 0.02 2 160 18 15 LYS HD3 H 1.57 0.02 2 161 18 15 LYS CE C 41.9 0.05 1 162 18 15 LYS HE2 H 2.90 0.02 1 163 18 15 LYS HE3 H 2.90 0.02 1 164 18 15 LYS C C 175.6 0.05 1 165 19 16 LYS N N 125.7 0.05 1 166 19 16 LYS H H 9.16 0.02 1 167 19 16 LYS CA C 55.0 0.05 1 168 19 16 LYS HA H 4.62 0.02 1 169 19 16 LYS CB C 36.1 0.05 1 170 19 16 LYS HB2 H 1.71 0.02 2 171 19 16 LYS HB3 H 1.62 0.02 2 172 19 16 LYS CG C 25.1 0.05 1 173 19 16 LYS HG2 H 1.21 0.02 1 174 19 16 LYS HG3 H 1.21 0.02 1 175 19 16 LYS CD C 29.5 0.05 1 176 19 16 LYS CE C 42.1 0.05 1 177 19 16 LYS HE2 H 2.91 0.02 1 178 19 16 LYS HE3 H 2.91 0.02 1 179 19 16 LYS C C 174.0 0.05 1 180 20 17 ILE N N 123.8 0.05 1 181 20 17 ILE H H 8.42 0.02 1 182 20 17 ILE CA C 60.4 0.05 1 183 20 17 ILE HA H 4.62 0.02 1 184 20 17 ILE CB C 37.9 0.05 1 185 20 17 ILE HB H 1.72 0.02 1 186 20 17 ILE HG2 H 0.72 0.02 1 187 20 17 ILE CG2 C 17.5 0.05 1 188 20 17 ILE CG1 C 27.5 0.05 1 189 20 17 ILE HG12 H 1.43 0.02 2 190 20 17 ILE HG13 H 1.17 0.02 2 191 20 17 ILE HD1 H 0.79 0.02 1 192 20 17 ILE CD1 C 13.2 0.05 1 193 20 17 ILE C C 175.7 0.05 1 194 21 18 LEU N N 130.5 0.05 1 195 21 18 LEU H H 8.60 0.02 1 196 21 18 LEU CA C 53.5 0.05 1 197 21 18 LEU HA H 4.49 0.02 1 198 21 18 LEU CB C 44.5 0.05 1 199 21 18 LEU HB2 H 1.05 0.02 2 200 21 18 LEU HB3 H 0.39 0.02 2 201 21 18 LEU CG C 25.9 0.05 1 202 21 18 LEU HG H 1.70 0.02 1 203 21 18 LEU CD2 C 24.6 0.05 1 204 21 18 LEU HD1 H 0.81 0.02 1 205 21 18 LEU HD2 H 0.81 0.02 1 206 21 18 LEU C C 174.0 0.05 1 207 22 19 GLU N N 116.2 0.05 1 208 22 19 GLU H H 7.94 0.02 1 209 22 19 GLU CA C 53.8 0.05 1 210 22 19 GLU HA H 5.28 0.02 1 211 22 19 GLU CB C 33.4 0.05 1 212 22 19 GLU HB2 H 1.97 0.02 2 213 22 19 GLU HB3 H 1.80 0.02 2 214 22 19 GLU CG C 36.5 0.05 1 215 22 19 GLU HG2 H 2.09 0.02 1 216 22 19 GLU HG3 H 2.09 0.02 1 217 22 19 GLU C C 176.6 0.05 1 218 23 20 SER N N 114.7 0.05 1 219 23 20 SER H H 8.63 0.02 1 220 23 20 SER CA C 57.4 0.05 1 221 23 20 SER HA H 4.78 0.02 1 222 23 20 SER CB C 65.9 0.05 1 223 23 20 SER HB2 H 3.90 0.02 2 224 23 20 SER HB3 H 3.79 0.02 2 225 23 20 SER C C 174.1 0.05 1 226 24 21 GLY N N 109.4 0.05 1 227 24 21 GLY H H 8.34 0.02 1 228 24 21 GLY CA C 45.1 0.05 1 229 24 21 GLY HA2 H 4.47 0.02 2 230 24 21 GLY HA3 H 3.79 0.02 2 231 24 21 GLY C C 172.6 0.05 1 232 25 22 ALA N N 122.5 0.05 1 233 25 22 ALA H H 7.79 0.02 1 234 25 22 ALA CA C 49.9 0.05 1 235 25 22 ALA HA H 4.78 0.02 1 236 25 22 ALA HB H 1.37 0.02 1 237 25 22 ALA CB C 20.6 0.05 1 238 26 23 PRO CD C 50.9 0.05 1 239 26 23 PRO CA C 63.7 0.05 1 240 26 23 PRO HA H 4.40 0.02 1 241 26 23 PRO CB C 31.9 0.05 1 242 26 23 PRO HB2 H 2.10 0.02 2 243 26 23 PRO HB3 H 1.62 0.02 2 244 26 23 PRO CG C 28.1 0.05 1 245 26 23 PRO HG2 H 2.10 0.02 2 246 26 23 PRO HG3 H 1.92 0.02 2 247 26 23 PRO HD2 H 3.79 0.02 2 248 26 23 PRO HD3 H 3.58 0.02 2 249 26 23 PRO C C 176.5 0.05 1 250 27 24 ARG N N 120.2 0.05 1 251 27 24 ARG H H 7.81 0.02 1 252 27 24 ARG CA C 53.8 0.05 1 253 27 24 ARG HA H 4.68 0.02 1 254 27 24 ARG CB C 35.6 0.05 1 255 27 24 ARG HB2 H 1.71 0.02 1 256 27 24 ARG HB3 H 1.71 0.02 1 257 27 24 ARG CG C 25.5 0.05 1 258 27 24 ARG HG2 H 1.21 0.02 1 259 27 24 ARG HG3 H 1.21 0.02 1 260 27 24 ARG CD C 43.4 0.05 1 261 27 24 ARG HD2 H 3.31 0.02 2 262 27 24 ARG HD3 H 3.08 0.02 2 263 27 24 ARG C C 174.3 0.05 1 264 28 25 ARG N N 119.3 0.05 1 265 28 25 ARG H H 8.90 0.02 1 266 28 25 ARG CA C 54.2 0.05 1 267 28 25 ARG HA H 4.87 0.02 1 268 28 25 ARG CB C 32.2 0.05 1 269 28 25 ARG HB2 H 1.75 0.02 2 270 28 25 ARG HB3 H 1.59 0.02 2 271 28 25 ARG CG C 27.2 0.05 1 272 28 25 ARG HG2 H 1.72 0.02 2 273 28 25 ARG HG3 H 1.65 0.02 2 274 28 25 ARG CD C 43.6 0.05 1 275 28 25 ARG HD2 H 3.28 0.02 2 276 28 25 ARG HD3 H 3.06 0.02 2 277 28 25 ARG C C 178.3 0.05 1 278 29 26 ILE N N 123.5 0.05 1 279 29 26 ILE H H 8.63 0.02 1 280 29 26 ILE CA C 65.2 0.05 1 281 29 26 ILE HA H 3.41 0.02 1 282 29 26 ILE CB C 36.5 0.05 1 283 29 26 ILE HB H 2.12 0.02 1 284 29 26 ILE HG2 H 0.73 0.02 1 285 29 26 ILE CG2 C 17.7 0.05 1 286 29 26 ILE CG1 C 28.6 0.05 1 287 29 26 ILE HG12 H 1.60 0.02 2 288 29 26 ILE HG13 H 1.09 0.02 2 289 29 26 ILE HD1 H 0.64 0.02 1 290 29 26 ILE CD1 C 12.8 0.05 1 291 29 26 ILE C C 178.6 0.05 1 292 30 27 LYS N N 115.1 0.05 1 293 30 27 LYS H H 8.90 0.02 1 294 30 27 LYS CA C 59.3 0.05 1 295 30 27 LYS HA H 3.90 0.02 1 296 30 27 LYS CB C 31.7 0.05 1 297 30 27 LYS HB2 H 1.86 0.02 2 298 30 27 LYS HB3 H 1.65 0.02 2 299 30 27 LYS CG C 23.8 0.05 1 300 30 27 LYS HG2 H 1.28 0.02 1 301 30 27 LYS HG3 H 1.28 0.02 1 302 30 27 LYS CD C 29.4 0.05 1 303 30 27 LYS HD2 H 1.28 0.02 1 304 30 27 LYS HD3 H 1.28 0.02 1 305 30 27 LYS CE C 41.2 0.05 1 306 30 27 LYS HE2 H 2.86 0.02 1 307 30 27 LYS HE3 H 2.86 0.02 1 308 30 27 LYS C C 178.0 0.05 1 309 31 28 ASP N N 119.7 0.05 1 310 31 28 ASP H H 7.18 0.02 1 311 31 28 ASP CA C 56.9 0.05 1 312 31 28 ASP HA H 4.48 0.02 1 313 31 28 ASP CB C 41.3 0.05 1 314 31 28 ASP HB2 H 2.90 0.02 2 315 31 28 ASP HB3 H 2.86 0.02 2 316 31 28 ASP C C 178.6 0.05 1 317 32 29 VAL N N 122.1 0.05 1 318 32 29 VAL H H 7.41 0.02 1 319 32 29 VAL CA C 65.9 0.05 1 320 32 29 VAL HA H 3.73 0.02 1 321 32 29 VAL CB C 32.0 0.05 1 322 32 29 VAL HB H 2.06 0.02 1 323 32 29 VAL HG1 H 0.92 0.02 2 324 32 29 VAL HG2 H 0.93 0.02 2 325 32 29 VAL CG1 C 23.4 0.05 1 326 32 29 VAL CG2 C 21.0 0.05 1 327 32 29 VAL C C 177.6 0.05 1 328 33 30 LEU N N 118.0 0.05 1 329 33 30 LEU H H 8.38 0.02 1 330 33 30 LEU CA C 58.5 0.05 1 331 33 30 LEU HA H 3.91 0.02 1 332 33 30 LEU CB C 39.2 0.05 1 333 33 30 LEU HB2 H 1.81 0.02 2 334 33 30 LEU HB3 H 1.69 0.02 2 335 33 30 LEU CG C 25.9 0.05 1 336 33 30 LEU HG H 1.78 0.02 1 337 33 30 LEU HD1 H 0.68 0.02 2 338 33 30 LEU HD2 H 0.76 0.02 2 339 33 30 LEU CD1 C 22.7 0.05 1 340 33 30 LEU CD2 C 26.2 0.05 1 341 33 30 LEU C C 179.2 0.05 1 342 34 31 GLY N N 104.5 0.05 1 343 34 31 GLY H H 7.73 0.02 1 344 34 31 GLY CA C 47.1 0.05 1 345 34 31 GLY HA2 H 3.94 0.02 1 346 34 31 GLY HA3 H 3.94 0.02 1 347 34 31 GLY C C 177.5 0.05 1 348 35 32 GLU N N 124.3 0.05 1 349 35 32 GLU H H 7.75 0.02 1 350 35 32 GLU CA C 59.1 0.05 1 351 35 32 GLU HA H 4.13 0.02 1 352 35 32 GLU CB C 29.8 0.05 1 353 35 32 GLU HB2 H 2.25 0.02 2 354 35 32 GLU HB3 H 2.19 0.02 2 355 35 32 GLU CG C 36.1 0.05 1 356 35 32 GLU HG2 H 2.41 0.02 2 357 35 32 GLU HG3 H 2.25 0.02 2 358 35 32 GLU C C 178.3 0.05 1 359 36 33 LEU N N 117.3 0.05 1 360 36 33 LEU H H 7.75 0.02 1 361 36 33 LEU CA C 55.0 0.05 1 362 36 33 LEU HA H 4.27 0.02 1 363 36 33 LEU CB C 42.1 0.05 1 364 36 33 LEU HB2 H 1.70 0.02 1 365 36 33 LEU HB3 H 1.70 0.02 1 366 36 33 LEU CG C 26.7 0.05 1 367 36 33 LEU HG H 1.91 0.02 1 368 36 33 LEU HD1 H 0.85 0.02 2 369 36 33 LEU HD2 H 0.79 0.02 2 370 36 33 LEU CD1 C 22.2 0.05 1 371 36 33 LEU CD2 C 26.0 0.05 1 372 36 33 LEU C C 175.2 0.05 1 373 37 34 GLU N N 115.5 0.05 1 374 37 34 GLU H H 7.78 0.02 1 375 37 34 GLU CA C 57.2 0.05 1 376 37 34 GLU HA H 3.83 0.02 1 377 37 34 GLU CB C 26.7 0.05 1 378 37 34 GLU HB2 H 2.29 0.02 2 379 37 34 GLU HB3 H 2.15 0.02 2 380 37 34 GLU CG C 36.8 0.05 1 381 37 34 GLU HG2 H 2.15 0.02 1 382 37 34 GLU HG3 H 2.15 0.02 1 383 37 34 GLU C C 175.3 0.05 1 384 38 35 ILE N N 121.3 0.05 1 385 38 35 ILE H H 8.01 0.02 1 386 38 35 ILE CA C 58.3 0.05 1 387 38 35 ILE HA H 4.41 0.02 1 388 38 35 ILE CB C 40.3 0.05 1 389 38 35 ILE HB H 1.56 0.02 1 390 38 35 ILE HG2 H 0.68 0.02 1 391 38 35 ILE CG2 C 18.0 0.05 1 392 38 35 ILE CG1 C 27.1 0.05 1 393 38 35 ILE HG12 H 1.56 0.02 2 394 38 35 ILE HG13 H 0.96 0.02 2 395 38 35 ILE HD1 H 0.83 0.02 1 396 38 35 ILE CD1 C 14.3 0.05 1 397 39 36 PRO CD C 51.3 0.05 1 398 39 36 PRO CA C 62.4 0.05 1 399 39 36 PRO HA H 4.47 0.02 1 400 39 36 PRO CB C 31.6 0.05 1 401 39 36 PRO HB2 H 2.38 0.02 2 402 39 36 PRO HB3 H 2.00 0.02 2 403 39 36 PRO CG C 27.7 0.05 1 404 39 36 PRO HG2 H 2.17 0.02 2 405 39 36 PRO HG3 H 1.96 0.02 2 406 39 36 PRO HD2 H 4.06 0.02 2 407 39 36 PRO HD3 H 3.56 0.02 2 408 39 36 PRO C C 179.2 0.05 1 409 40 37 ILE N N 127.5 0.05 1 410 40 37 ILE H H 8.35 0.02 1 411 40 37 ILE CA C 63.7 0.05 1 412 40 37 ILE HA H 3.75 0.02 1 413 40 37 ILE CB C 38.6 0.05 1 414 40 37 ILE HB H 1.88 0.02 1 415 40 37 ILE HG2 H 0.98 0.02 1 416 40 37 ILE CG2 C 17.9 0.05 1 417 40 37 ILE CG1 C 28.6 0.05 1 418 40 37 ILE HG12 H 1.45 0.02 2 419 40 37 ILE HG13 H 1.32 0.02 2 420 40 37 ILE HD1 H 0.90 0.02 1 421 40 37 ILE CD1 C 14.5 0.05 1 422 40 37 ILE C C 176.1 0.05 1 423 41 38 GLU N N 118.5 0.05 1 424 41 38 GLU H H 9.37 0.02 1 425 41 38 GLU CA C 58.4 0.05 1 426 41 38 GLU HA H 4.33 0.02 1 427 41 38 GLU CB C 28.5 0.05 1 428 41 38 GLU HB2 H 2.12 0.02 2 429 41 38 GLU HB3 H 2.06 0.02 2 430 41 38 GLU CG C 36.4 0.05 1 431 41 38 GLU HG2 H 2.35 0.02 2 432 41 38 GLU HG3 H 2.29 0.02 2 433 41 38 GLU C C 177.6 0.05 1 434 42 39 THR N N 107.4 0.05 1 435 42 39 THR H H 7.81 0.02 1 436 42 39 THR CA C 61.6 0.05 1 437 42 39 THR HA H 4.52 0.02 1 438 42 39 THR CB C 70.3 0.05 1 439 42 39 THR HB H 4.58 0.02 1 440 42 39 THR HG2 H 1.22 0.02 1 441 42 39 THR CG2 C 22.1 0.05 1 442 42 39 THR C C 174.0 0.05 1 443 43 40 VAL N N 112.0 0.05 1 444 43 40 VAL H H 7.23 0.02 1 445 43 40 VAL CA C 59.1 0.05 1 446 43 40 VAL HA H 5.42 0.02 1 447 43 40 VAL CB C 36.4 0.05 1 448 43 40 VAL HB H 1.97 0.02 1 449 43 40 VAL HG1 H 0.67 0.02 2 450 43 40 VAL HG2 H 0.65 0.02 2 451 43 40 VAL CG1 C 21.7 0.05 1 452 43 40 VAL CG2 C 18.0 0.05 1 453 43 40 VAL C C 175.2 0.05 1 454 44 41 VAL N N 120.4 0.05 1 455 44 41 VAL H H 9.08 0.02 1 456 44 41 VAL CA C 61.5 0.05 1 457 44 41 VAL HA H 4.23 0.02 1 458 44 41 VAL CB C 34.6 0.05 1 459 44 41 VAL HB H 1.89 0.02 1 460 44 41 VAL HG1 H 0.90 0.02 1 461 44 41 VAL HG2 H 0.90 0.02 1 462 44 41 VAL CG1 C 21.3 0.05 1 463 44 41 VAL CG2 C 21.0 0.05 1 464 44 41 VAL C C 174.0 0.05 1 465 45 42 VAL N N 123.4 0.05 1 466 45 42 VAL H H 8.82 0.02 1 467 45 42 VAL CA C 60.0 0.05 1 468 45 42 VAL HA H 5.12 0.02 1 469 45 42 VAL CB C 34.3 0.05 1 470 45 42 VAL HB H 1.89 0.02 1 471 45 42 VAL HG1 H 0.79 0.02 2 472 45 42 VAL HG2 H 0.80 0.02 2 473 45 42 VAL CG1 C 22.9 0.05 1 474 45 42 VAL CG2 C 21.6 0.05 1 475 45 42 VAL C C 174.7 0.05 1 476 46 43 LYS N N 121.7 0.05 1 477 46 43 LYS H H 8.92 0.02 1 478 46 43 LYS CA C 53.8 0.05 1 479 46 43 LYS HA H 5.18 0.02 1 480 46 43 LYS CB C 36.9 0.05 1 481 46 43 LYS HB2 H 1.64 0.02 2 482 46 43 LYS HB3 H 1.25 0.02 2 483 46 43 LYS CG C 26.0 0.05 1 484 46 43 LYS HG2 H 1.21 0.02 2 485 46 43 LYS HG3 H 0.95 0.02 2 486 46 43 LYS CD C 30.0 0.05 1 487 46 43 LYS HD2 H 1.49 0.02 2 488 46 43 LYS HD3 H 1.38 0.02 2 489 46 43 LYS CE C 42.0 0.05 1 490 46 43 LYS HE2 H 2.65 0.02 1 491 46 43 LYS HE3 H 2.65 0.02 1 492 46 43 LYS C C 175.6 0.05 1 493 47 44 LYS N N 122.3 0.05 1 494 47 44 LYS H H 9.24 0.02 1 495 47 44 LYS CA C 54.4 0.05 1 496 47 44 LYS HA H 5.19 0.02 1 497 47 44 LYS CB C 36.1 0.05 1 498 47 44 LYS HB2 H 1.87 0.02 2 499 47 44 LYS HB3 H 1.23 0.02 2 500 47 44 LYS CG C 25.7 0.05 1 501 47 44 LYS HG2 H 1.28 0.02 2 502 47 44 LYS HG3 H 1.10 0.02 2 503 47 44 LYS CD C 29.3 0.05 1 504 47 44 LYS HD2 H 2.02 0.02 2 505 47 44 LYS HD3 H 1.42 0.02 2 506 47 44 LYS HE2 H 3.05 0.02 1 507 47 44 LYS HE3 H 3.05 0.02 1 508 47 44 LYS C C 176.0 0.05 1 509 48 45 ASN N N 129.6 0.05 1 510 48 45 ASN H H 9.98 0.02 1 511 48 45 ASN CA C 54.3 0.05 1 512 48 45 ASN HA H 4.49 0.02 1 513 48 45 ASN CB C 37.2 0.05 1 514 48 45 ASN HB2 H 3.03 0.02 1 515 48 45 ASN HB3 H 3.03 0.02 1 516 48 45 ASN ND2 N 116.6 0.05 1 517 48 45 ASN HD21 H 7.81 0.02 2 518 48 45 ASN HD22 H 7.57 0.02 2 519 48 45 ASN C C 175.8 0.05 1 520 49 46 GLY N N 103.2 0.05 1 521 49 46 GLY H H 9.34 0.02 1 522 49 46 GLY CA C 45.2 0.05 1 523 49 46 GLY HA2 H 4.30 0.02 2 524 49 46 GLY HA3 H 3.65 0.02 2 525 49 46 GLY C C 173.6 0.05 1 526 50 47 GLN N N 119.7 0.05 1 527 50 47 GLN H H 7.69 0.02 1 528 50 47 GLN CA C 53.5 0.05 1 529 50 47 GLN HA H 4.77 0.02 1 530 50 47 GLN CB C 31.3 0.05 1 531 50 47 GLN HB2 H 2.14 0.02 2 532 50 47 GLN HB3 H 1.97 0.02 2 533 50 47 GLN CG C 33.3 0.05 1 534 50 47 GLN HG2 H 2.39 0.02 1 535 50 47 GLN HG3 H 2.39 0.02 1 536 50 47 GLN C C 175.0 0.05 1 537 51 48 ILE N N 125.8 0.05 1 538 51 48 ILE H H 8.79 0.02 1 539 51 48 ILE CA C 63.0 0.05 1 540 51 48 ILE HA H 4.38 0.02 1 541 51 48 ILE CB C 37.4 0.05 1 542 51 48 ILE HB H 1.77 0.02 1 543 51 48 ILE HG2 H 0.94 0.02 1 544 51 48 ILE CG2 C 17.2 0.05 1 545 51 48 ILE CG1 C 28.7 0.05 1 546 51 48 ILE HG12 H 1.66 0.02 2 547 51 48 ILE HG13 H 1.00 0.02 2 548 51 48 ILE HD1 H 0.86 0.02 1 549 51 48 ILE CD1 C 12.6 0.05 1 550 51 48 ILE C C 176.5 0.05 1 551 52 49 VAL N N 121.9 0.05 1 552 52 49 VAL H H 8.29 0.02 1 553 52 49 VAL CA C 58.9 0.05 1 554 52 49 VAL HA H 4.86 0.02 1 555 52 49 VAL CB C 35.7 0.05 1 556 52 49 VAL HB H 2.27 0.02 1 557 52 49 VAL HG1 H 0.98 0.02 2 558 52 49 VAL HG2 H 0.66 0.02 2 559 52 49 VAL CG1 C 22.5 0.05 1 560 52 49 VAL CG2 C 19.5 0.05 1 561 53 50 ILE N N 114.6 0.05 1 562 53 50 ILE H H 8.02 0.02 1 563 53 50 ILE CA C 60.5 0.05 1 564 53 50 ILE HA H 4.61 0.02 1 565 53 50 ILE CB C 39.5 0.05 1 566 53 50 ILE HB H 2.23 0.02 1 567 53 50 ILE HG2 H 1.03 0.02 1 568 53 50 ILE CG2 C 18.3 0.05 1 569 53 50 ILE CG1 C 26.5 0.05 1 570 53 50 ILE HG12 H 1.44 0.02 2 571 53 50 ILE HG13 H 1.33 0.02 2 572 53 50 ILE HD1 H 0.97 0.02 1 573 53 50 ILE CD1 C 14.1 0.05 1 574 53 50 ILE C C 177.0 0.05 1 575 54 51 ASP N N 118.3 0.05 1 576 54 51 ASP H H 8.39 0.02 1 577 54 51 ASP CA C 56.3 0.05 1 578 54 51 ASP HA H 4.01 0.02 1 579 54 51 ASP CB C 40.2 0.05 1 580 54 51 ASP HB2 H 2.61 0.02 2 581 54 51 ASP HB3 H 2.58 0.02 2 582 54 51 ASP C C 176.3 0.05 1 583 55 52 GLU N N 116.9 0.05 1 584 55 52 GLU H H 7.10 0.02 1 585 55 52 GLU CA C 56.0 0.05 1 586 55 52 GLU HA H 4.20 0.02 1 587 55 52 GLU CB C 30.0 0.05 1 588 55 52 GLU HB2 H 2.25 0.02 2 589 55 52 GLU HB3 H 1.76 0.02 2 590 55 52 GLU CG C 35.9 0.05 1 591 55 52 GLU HG2 H 2.33 0.02 2 592 55 52 GLU HG3 H 2.26 0.02 2 593 55 52 GLU C C 175.7 0.05 1 594 56 53 GLU N N 120.3 0.05 1 595 56 53 GLU H H 7.57 0.02 1 596 56 53 GLU CA C 57.4 0.05 1 597 56 53 GLU HA H 4.09 0.02 1 598 56 53 GLU CB C 30.3 0.05 1 599 56 53 GLU HB2 H 2.14 0.02 2 600 56 53 GLU HB3 H 1.96 0.02 2 601 56 53 GLU CG C 35.9 0.05 1 602 56 53 GLU HG2 H 2.57 0.02 2 603 56 53 GLU HG3 H 2.21 0.02 2 604 56 53 GLU C C 175.4 0.05 1 605 57 54 GLU N N 123.4 0.05 1 606 57 54 GLU H H 8.43 0.02 1 607 57 54 GLU CA C 56.5 0.05 1 608 57 54 GLU HA H 4.32 0.02 1 609 57 54 GLU CB C 32.2 0.05 1 610 57 54 GLU HB2 H 1.78 0.02 2 611 57 54 GLU HB3 H 1.44 0.02 2 612 57 54 GLU CG C 37.4 0.05 1 613 57 54 GLU HG2 H 2.17 0.02 2 614 57 54 GLU HG3 H 1.77 0.02 2 615 57 54 GLU C C 174.3 0.05 1 616 58 55 ILE N N 122.0 0.05 1 617 58 55 ILE H H 7.85 0.02 1 618 58 55 ILE CA C 60.4 0.05 1 619 58 55 ILE HA H 3.77 0.02 1 620 58 55 ILE CB C 40.1 0.05 1 621 58 55 ILE HB H 0.79 0.02 1 622 58 55 ILE HG2 H 0.04 0.02 1 623 58 55 ILE CG2 C 17.7 0.05 1 624 58 55 ILE CG1 C 27.9 0.05 1 625 58 55 ILE HG12 H 1.23 0.02 2 626 58 55 ILE HG13 H 0.29 0.02 2 627 58 55 ILE HD1 H 0.14 0.02 1 628 58 55 ILE CD1 C 15.2 0.05 1 629 58 55 ILE C C 172.9 0.05 1 630 59 56 PHE N N 124.5 0.05 1 631 59 56 PHE H H 8.97 0.02 1 632 59 56 PHE CA C 55.9 0.05 1 633 59 56 PHE HA H 4.82 0.02 1 634 59 56 PHE CB C 41.9 0.05 1 635 59 56 PHE HB2 H 3.23 0.02 2 636 59 56 PHE HB3 H 2.75 0.02 2 637 59 56 PHE HD1 H 7.23 0.02 1 638 59 56 PHE HD2 H 7.23 0.02 1 639 59 56 PHE HE1 H 7.28 0.02 1 640 59 56 PHE HE2 H 7.28 0.02 1 641 59 56 PHE C C 175.1 0.05 1 642 60 57 ASP N N 117.3 0.05 1 643 60 57 ASP H H 8.32 0.02 1 644 60 57 ASP CA C 56.4 0.05 1 645 60 57 ASP HA H 4.63 0.02 1 646 60 57 ASP CB C 42.7 0.05 1 647 60 57 ASP HB2 H 2.83 0.02 2 648 60 57 ASP HB3 H 2.68 0.02 2 649 60 57 ASP C C 177.9 0.05 1 650 61 58 GLY N N 114.6 0.05 1 651 61 58 GLY H H 9.70 0.02 1 652 61 58 GLY CA C 45.1 0.05 1 653 61 58 GLY HA2 H 4.42 0.02 2 654 61 58 GLY HA3 H 3.77 0.02 2 655 61 58 GLY C C 174.9 0.05 1 656 62 59 ASP N N 122.2 0.05 1 657 62 59 ASP H H 8.35 0.02 1 658 62 59 ASP CA C 55.9 0.05 1 659 62 59 ASP HA H 4.94 0.02 1 660 62 59 ASP CB C 42.5 0.05 1 661 62 59 ASP HB2 H 3.06 0.02 2 662 62 59 ASP HB3 H 2.30 0.02 2 663 62 59 ASP C C 176.0 0.05 1 664 63 60 ILE N N 119.1 0.05 1 665 63 60 ILE H H 8.40 0.02 1 666 63 60 ILE CA C 60.7 0.05 1 667 63 60 ILE HA H 4.69 0.02 1 668 63 60 ILE CB C 39.7 0.05 1 669 63 60 ILE HB H 1.91 0.02 1 670 63 60 ILE HG2 H 0.83 0.02 1 671 63 60 ILE CG2 C 17.8 0.05 1 672 63 60 ILE CG1 C 27.4 0.05 1 673 63 60 ILE HG12 H 1.78 0.02 2 674 63 60 ILE HG13 H 1.07 0.02 2 675 63 60 ILE HD1 H 0.94 0.02 1 676 63 60 ILE CD1 C 13.5 0.05 1 677 63 60 ILE C C 175.4 0.05 1 678 64 61 ILE N N 130.3 0.05 1 679 64 61 ILE H H 9.55 0.02 1 680 64 61 ILE CA C 58.3 0.05 1 681 64 61 ILE HA H 5.23 0.02 1 682 64 61 ILE CB C 38.7 0.05 1 683 64 61 ILE HB H 2.25 0.02 1 684 64 61 ILE HG2 H 0.76 0.02 1 685 64 61 ILE CG2 C 17.9 0.05 1 686 64 61 ILE CG1 C 28.0 0.05 1 687 64 61 ILE HG12 H 1.36 0.02 1 688 64 61 ILE HG13 H 1.36 0.02 1 689 64 61 ILE HD1 H 0.78 0.02 1 690 64 61 ILE CD1 C 13.2 0.05 1 691 64 61 ILE C C 174.4 0.05 1 692 65 62 GLU N N 126.8 0.05 1 693 65 62 GLU H H 9.34 0.02 1 694 65 62 GLU CA C 54.5 0.05 1 695 65 62 GLU HA H 5.08 0.02 1 696 65 62 GLU CB C 33.3 0.05 1 697 65 62 GLU HB2 H 1.98 0.02 2 698 65 62 GLU HB3 H 1.75 0.02 2 699 65 62 GLU CG C 37.0 0.05 1 700 65 62 GLU HG2 H 2.02 0.02 1 701 65 62 GLU HG3 H 2.02 0.02 1 702 65 62 GLU C C 174.3 0.05 1 703 66 63 VAL N N 124.3 0.05 1 704 66 63 VAL H H 8.71 0.02 1 705 66 63 VAL CA C 61.9 0.05 1 706 66 63 VAL HA H 4.42 0.02 1 707 66 63 VAL CB C 32.6 0.05 1 708 66 63 VAL HB H 2.08 0.02 1 709 66 63 VAL HG1 H 0.83 0.02 2 710 66 63 VAL HG2 H 0.76 0.02 2 711 66 63 VAL CG1 C 22.2 0.05 1 712 66 63 VAL CG2 C 20.9 0.05 1 713 66 63 VAL C C 175.3 0.05 1 714 67 64 ILE N N 131.2 0.05 1 715 67 64 ILE H H 9.18 0.02 1 716 67 64 ILE CA C 60.2 0.05 1 717 67 64 ILE HA H 4.36 0.02 1 718 67 64 ILE CB C 40.4 0.05 1 719 67 64 ILE HB H 1.79 0.02 1 720 67 64 ILE HG2 H 0.85 0.02 1 721 67 64 ILE CG2 C 17.6 0.05 1 722 67 64 ILE CG1 C 27.5 0.05 1 723 67 64 ILE HG12 H 1.29 0.02 2 724 67 64 ILE HG13 H 1.06 0.02 2 725 67 64 ILE HD1 H 0.70 0.02 1 726 67 64 ILE CD1 C 13.9 0.05 1 727 67 64 ILE C C 175.3 0.05 1 728 68 65 ARG N N 126.9 0.05 1 729 68 65 ARG H H 9.02 0.02 1 730 68 65 ARG CA C 57.2 0.05 1 731 68 65 ARG HA H 4.48 0.02 1 732 68 65 ARG CB C 30.5 0.05 1 733 68 65 ARG HB2 H 1.82 0.02 2 734 68 65 ARG HB3 H 1.77 0.02 2 735 68 65 ARG CG C 28.1 0.05 1 736 68 65 ARG HG2 H 1.74 0.02 2 737 68 65 ARG HG3 H 1.52 0.02 2 738 68 65 ARG CD C 43.5 0.05 1 739 68 65 ARG HD2 H 3.19 0.02 1 740 68 65 ARG HD3 H 3.19 0.02 1 741 68 65 ARG C C 176.8 0.05 1 742 69 66 VAL N N 122.3 0.05 1 743 69 66 VAL H H 8.28 0.02 1 744 69 66 VAL CA C 62.2 0.05 1 745 69 66 VAL HA H 4.10 0.02 1 746 69 66 VAL CB C 32.8 0.05 1 747 69 66 VAL HB H 1.94 0.02 1 748 69 66 VAL HG1 H 0.78 0.02 2 749 69 66 VAL HG2 H 0.75 0.02 2 750 69 66 VAL CG1 C 20.4 0.05 1 751 69 66 VAL CG2 C 21.3 0.05 1 752 69 66 VAL C C 175.5 0.05 1 753 70 67 ILE N N 124.0 0.05 1 754 70 67 ILE H H 7.93 0.02 1 755 70 67 ILE CA C 60.3 0.05 1 756 70 67 ILE HA H 4.21 0.02 1 757 70 67 ILE CB C 38.9 0.05 1 758 70 67 ILE HB H 1.76 0.02 1 759 70 67 ILE HG2 H 0.83 0.02 1 760 70 67 ILE CG2 C 17.3 0.05 1 761 70 67 ILE CG1 C 27.1 0.05 1 762 70 67 ILE HG12 H 1.40 0.02 2 763 70 67 ILE HG13 H 1.14 0.02 2 764 70 67 ILE HD1 H 0.82 0.02 1 765 70 67 ILE CD1 C 12.5 0.05 1 766 70 67 ILE C C 175.5 0.05 1 767 71 68 TYR N N 126.2 0.05 1 768 71 68 TYR H H 8.45 0.02 1 769 71 68 TYR CA C 57.9 0.05 1 770 71 68 TYR HA H 4.59 0.02 1 771 71 68 TYR CB C 39.0 0.05 1 772 71 68 TYR HB2 H 3.06 0.02 2 773 71 68 TYR HB3 H 2.94 0.02 2 774 71 68 TYR HD1 H 7.14 0.02 1 775 71 68 TYR HD2 H 7.14 0.02 1 776 71 68 TYR C C 176.2 0.05 1 777 72 69 GLY N N 112.0 0.05 1 778 72 69 GLY H H 8.37 0.02 1 779 72 69 GLY CA C 45.3 0.05 1 780 72 69 GLY HA2 H 3.91 0.02 1 781 72 69 GLY HA3 H 3.91 0.02 1 782 72 69 GLY C C 173.5 0.05 1 783 73 70 GLY N N 114.9 0.05 1 784 73 70 GLY H H 7.62 0.02 1 785 73 70 GLY CA C 46.0 0.05 1 786 73 70 GLY HA2 H 3.73 0.02 1 787 73 70 GLY HA3 H 3.73 0.02 1 stop_ save_