data_6247 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of C-terminal domain of NifU-like protein from Oryza sativa ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumeta H. . . 2 Ogura K. . . 3 Asayama M. . . 4 Katoh S. . . 5 Katoh E. . . 6 Inagaki F. . . stop_ _BMRB_accession_number 6247 _BMRB_flat_file_name bmr6247.str _Entry_type new _Submission_date 2004-06-23 _Accession_date 2004-06-23 _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' 429 '15N chemical shifts' 80 '13C chemical shifts' 344 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Refolding and purification of recombinant OsNifU1A domain II that was expressed by Escherichia coli. ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID 15978837 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Katoh S. . . 2 Murata K. . . 3 Kubota Y. . . 4 Kumeta H. . . 5 Ogura K. . . 6 Inagaki F. . . 7 Asayama M. . . 8 Katoh E. . . stop_ _Journal_abbreviation "Protein Expr. Purif." _Journal_volume 43 _Journal_issue 2 _Page_first 149 _Page_last 156 _Year 2005 loop_ _Keyword "IRON-SULFUR CLUSTER BINDING" "STRUCTURAL GENOMICS" "PROGRAM FOR RICE GENOME RESEARCH" "Structural genomics" stop_ save_ ################################## # Molecular system description # ################################## save_system_NifU1 _Saveframe_category molecular_system _Mol_system_name NifU1 _Abbreviation_common NifU1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "NifU1" $NifU1 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1TH5 ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_NifU1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NifU1 _Name_variant . _Abbreviation_common NifU1 _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; MLELNEENVEKVLNEIRPYL AGTGGGGLQFLMIKGPIVKV RLTGPAAVVRTVRIAVSKKL REKIPSIQIVQLLS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 153 MET 2 154 LEU 3 155 GLU 4 156 LEU 5 157 ASN 6 158 GLU 7 159 GLU 8 160 ASN 9 161 VAL 10 162 GLU 11 163 LYS 12 164 VAL 13 165 LEU 14 166 ASN 15 167 GLU 16 168 ILE 17 169 ARG 18 170 PRO 19 171 TYR 20 172 LEU 21 173 ALA 22 174 GLY 23 175 THR 24 176 GLY 25 177 GLY 26 178 GLY 27 179 GLY 28 180 LEU 29 181 GLN 30 182 PHE 31 183 LEU 32 184 MET 33 185 ILE 34 186 LYS 35 187 GLY 36 188 PRO 37 189 ILE 38 190 VAL 39 191 LYS 40 192 VAL 41 193 ARG 42 194 LEU 43 195 THR 44 196 GLY 45 197 PRO 46 198 ALA 47 199 ALA 48 200 VAL 49 201 VAL 50 202 ARG 51 203 THR 52 204 VAL 53 205 ARG 54 206 ILE 55 207 ALA 56 208 VAL 57 209 SER 58 210 LYS 59 211 LYS 60 212 LEU 61 213 ARG 62 214 GLU 63 215 LYS 64 216 ILE 65 217 PRO 66 218 SER 67 219 ILE 68 220 GLN 69 221 ILE 70 222 VAL 71 223 GLN 72 224 LEU 73 225 LEU 74 226 SER stop_ _Sequence_homology_query_date 2008-12-26 _Sequence_homology_query_revised_last_date 2008-12-06 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 1TH5 "Solution Structure Of C-Terminal Domain Of Nifu-Like Protein From Oryza Sativa" 100.00 74 100.00 100.00 5.44e-33 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NifU1 rice 4530 Eukaryota Viridiplantae Oryza sativa 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 $NifU1 'recombinant technology' "E. coli" Escherichia coli BL21(DE3) PDEST32A 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 $NifU1 0.8 mM "[U-15N]" NaPi 20 mM . NaCl 100 mM . beta-ME 2.5 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NifU1 0.45 mM "[U-13C; U-15N]" NaPi 20 mM . NaCl 100 mM . beta-ME 2.5 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1c loop_ _Task collection stop_ _Details Welch save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 23 loop_ _Task processing stop_ _Details Delaglio save_ save_Sparky _Saveframe_category software _Name Sparky _Version 3.11 loop_ _Task "data analysis" stop_ _Details Goddard save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.06 loop_ _Task "structure solution" "refinement" stop_ _Details Guntert save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 3D 15N-separated NOESY 3D 13C-separated NOESY ; save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH temperature 298 . K 'ionic strength' 100 . mM pressure 1 . atm 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 . H 1 . ppm . . . . . . . . N 15 . ppm . . . . . . . . C 13 . ppm . . . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "NifU1" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 MET N N 122.836 0.000 . 2 1 MET CA C 55.576 0.071 . 3 1 MET HA H 4.017 0.015 . 4 1 MET CB C 33.307 0.159 . 5 1 MET HB2 H 2.065 0.014 . 6 1 MET HB3 H 2.102 0.016 . 7 1 MET CG C 30.994 0.124 . 8 1 MET HG2 H 2.567 0.009 . 9 1 MET C C 173.498 0.001 . 10 2 LEU N N 122.838 0.076 . 11 2 LEU H H 8.281 0.012 . 12 2 LEU CA C 53.927 0.114 . 13 2 LEU HA H 4.546 0.007 . 14 2 LEU CB C 43.156 0.059 . 15 2 LEU HB2 H 1.418 0.008 . 16 2 LEU HB3 H 1.851 0.008 . 17 2 LEU CG C 26.490 0.117 . 18 2 LEU HG H 1.678 0.013 . 19 2 LEU HD1 H 0.797 0.016 . 20 2 LEU HD2 H 0.841 0.027 . 21 2 LEU CD1 C 25.313 0.138 . 22 2 LEU CD2 C 22.450 0.157 . 23 2 LEU C C 175.756 0.007 . 24 3 GLU N N 120.196 0.032 . 25 3 GLU H H 8.259 0.005 . 26 3 GLU CA C 55.698 0.049 . 27 3 GLU HA H 4.133 0.003 . 28 3 GLU CB C 30.458 0.175 . 29 3 GLU HB2 H 1.798 0.015 . 30 3 GLU HB3 H 1.902 0.010 . 31 3 GLU CG C 36.340 0.036 . 32 3 GLU HG2 H 2.302 0.005 . 33 3 GLU HG3 H 2.213 0.015 . 34 3 GLU C C 176.067 0.016 . 35 4 LEU N N 122.244 0.040 . 36 4 LEU H H 8.681 0.003 . 37 4 LEU CA C 55.360 0.132 . 38 4 LEU HA H 4.150 0.007 . 39 4 LEU CB C 39.869 0.080 . 40 4 LEU HB2 H 1.164 0.006 . 41 4 LEU HB3 H 1.965 0.014 . 42 4 LEU CG C 26.918 0.045 . 43 4 LEU HG H 1.535 0.003 . 44 4 LEU HD1 H 0.799 0.008 . 45 4 LEU HD2 H 0.696 0.007 . 46 4 LEU CD1 C 25.417 0.151 . 47 4 LEU CD2 C 22.676 0.188 . 48 4 LEU C C 173.340 0.026 . 49 5 ASN N N 122.991 0.073 . 50 5 ASN H H 7.425 0.007 . 51 5 ASN CA C 51.594 0.084 . 52 5 ASN HA H 4.432 0.005 . 53 5 ASN CB C 38.999 0.244 . 54 5 ASN HB2 H 3.072 0.011 . 55 5 ASN CG C 173.953 0.008 . 56 5 ASN ND2 N 111.525 0.028 . 57 5 ASN HD21 H 7.468 0.003 . 58 5 ASN HD22 H 6.407 0.005 . 59 5 ASN C C 173.844 0.011 . 60 6 GLU N N 120.781 0.070 . 61 6 GLU H H 9.106 0.004 . 62 6 GLU CA C 60.513 0.043 . 63 6 GLU HA H 3.184 0.004 . 64 6 GLU CB C 28.953 0.056 . 65 6 GLU HB2 H 1.746 0.012 . 66 6 GLU HB3 H 1.872 0.009 . 67 6 GLU CG C 35.666 0.077 . 68 6 GLU HG2 H 2.032 0.018 . 69 6 GLU HG3 H 1.584 0.008 . 70 6 GLU C C 176.620 0.006 . 71 7 GLU N N 118.929 0.049 . 72 7 GLU H H 8.456 0.003 . 73 7 GLU CA C 59.410 0.059 . 74 7 GLU HA H 3.873 0.004 . 75 7 GLU CB C 28.745 0.070 . 76 7 GLU HB2 H 1.865 0.004 . 77 7 GLU HB3 H 1.970 0.009 . 78 7 GLU CG C 36.270 0.062 . 79 7 GLU HG2 H 2.211 0.015 . 80 7 GLU HG3 H 2.183 0.006 . 81 7 GLU C C 179.272 0.008 . 82 8 ASN N N 118.563 0.079 . 83 8 ASN H H 8.841 0.004 . 84 8 ASN CA C 54.883 0.008 . 85 8 ASN HA H 4.636 0.006 . 86 8 ASN CB C 37.166 0.098 . 87 8 ASN HB2 H 2.486 0.006 . 88 8 ASN HB3 H 2.952 0.006 . 89 8 ASN CG C 174.904 0.011 . 90 8 ASN ND2 N 113.130 0.029 . 91 8 ASN HD21 H 8.835 0.005 . 92 8 ASN HD22 H 6.987 0.009 . 93 8 ASN C C 177.687 0.023 . 94 9 VAL N N 120.246 0.060 . 95 9 VAL H H 8.063 0.006 . 96 9 VAL CA C 67.244 0.046 . 97 9 VAL HA H 3.390 0.003 . 98 9 VAL CB C 30.796 0.198 . 99 9 VAL HB H 1.877 0.003 . 100 9 VAL HG1 H 0.852 0.004 . 101 9 VAL HG2 H 0.956 0.008 . 102 9 VAL CG1 C 22.065 0.081 . 103 9 VAL CG2 C 23.866 0.160 . 104 9 VAL C C 177.622 0.002 . 105 10 GLU N N 118.780 0.044 . 106 10 GLU H H 8.209 0.005 . 107 10 GLU CA C 59.298 0.020 . 108 10 GLU HA H 4.123 0.003 . 109 10 GLU CB C 28.649 0.283 . 110 10 GLU HB2 H 1.946 0.008 . 111 10 GLU HB3 H 2.028 0.017 . 112 10 GLU CG C 34.514 0.355 . 113 10 GLU HG2 H 2.179 0.018 . 114 10 GLU C C 178.396 0.018 . 115 11 LYS N N 118.705 0.073 . 116 11 LYS H H 7.888 0.005 . 117 11 LYS CA C 59.911 0.053 . 118 11 LYS HA H 4.072 0.006 . 119 11 LYS CB C 32.458 0.088 . 120 11 LYS HB2 H 2.010 0.005 . 121 11 LYS HB3 H 2.094 0.003 . 122 11 LYS CG C 25.123 0.076 . 123 11 LYS HG2 H 1.465 0.005 . 124 11 LYS CD C 29.296 0.155 . 125 11 LYS HD2 H 1.722 0.012 . 126 11 LYS CE C 41.990 0.062 . 127 11 LYS HE2 H 2.995 0.007 . 128 11 LYS C C 179.647 0.004 . 129 12 VAL N N 119.841 0.052 . 130 12 VAL H H 7.774 0.004 . 131 12 VAL CA C 66.277 0.078 . 132 12 VAL HA H 3.732 0.004 . 133 12 VAL CB C 31.085 0.178 . 134 12 VAL HB H 2.181 0.023 . 135 12 VAL HG1 H 1.039 0.004 . 136 12 VAL HG2 H 0.872 0.009 . 137 12 VAL CG1 C 23.011 0.574 . 138 12 VAL CG2 C 22.413 0.159 . 139 12 VAL C C 179.015 0.008 . 140 13 LEU N N 119.081 0.061 . 141 13 LEU H H 8.931 0.009 . 142 13 LEU CA C 58.548 0.265 . 143 13 LEU HA H 3.937 0.004 . 144 13 LEU CB C 39.473 0.077 . 145 13 LEU HB2 H 1.175 0.008 . 146 13 LEU HB3 H 2.185 0.003 . 147 13 LEU CG C 25.789 0.065 . 148 13 LEU HG H 2.176 0.005 . 149 13 LEU HD1 H 0.838 0.016 . 150 13 LEU HD2 H 0.788 0.020 . 151 13 LEU CD1 C 26.213 0.082 . 152 13 LEU CD2 C 22.339 0.133 . 153 13 LEU C C 179.816 0.005 . 154 14 ASN N N 116.403 0.057 . 155 14 ASN H H 8.517 0.004 . 156 14 ASN CA C 55.869 0.010 . 157 14 ASN HA H 4.583 0.005 . 158 14 ASN CB C 38.071 0.071 . 159 14 ASN HB2 H 2.884 0.003 . 160 14 ASN HB3 H 3.047 0.007 . 161 14 ASN CG C 176.360 0.005 . 162 14 ASN ND2 N 113.873 0.028 . 163 14 ASN HD21 H 7.691 0.003 . 164 14 ASN HD22 H 7.190 0.003 . 165 14 ASN C C 177.127 0.009 . 166 15 GLU N N 117.885 0.037 . 167 15 GLU H H 7.706 0.007 . 168 15 GLU CA C 58.102 0.043 . 169 15 GLU HA H 4.259 0.004 . 170 15 GLU CB C 29.686 0.197 . 171 15 GLU HB2 H 2.195 0.009 . 172 15 GLU HB3 H 2.346 0.011 . 173 15 GLU CG C 36.444 0.030 . 174 15 GLU HG2 H 2.284 0.034 . 175 15 GLU HG3 H 2.606 0.013 . 176 15 GLU C C 177.714 0.007 . 177 16 ILE N N 118.440 0.035 . 178 16 ILE H H 7.649 0.004 . 179 16 ILE CA C 62.212 0.066 . 180 16 ILE HA H 4.109 0.005 . 181 16 ILE CB C 38.803 0.275 . 182 16 ILE HB H 1.828 0.013 . 183 16 ILE HG2 H 0.931 0.017 . 184 16 ILE CG2 C 18.288 0.037 . 185 16 ILE CG1 C 28.143 0.324 . 186 16 ILE HG12 H 1.851 0.003 . 187 16 ILE HG13 H 1.006 0.006 . 188 16 ILE HD1 H 0.810 0.017 . 189 16 ILE CD1 C 14.561 0.057 . 190 16 ILE C C 176.358 0.007 . 191 17 ARG N N 119.824 0.048 . 192 17 ARG H H 8.093 0.007 . 193 17 ARG CA C 62.489 0.069 . 194 17 ARG HA H 3.948 0.004 . 195 17 ARG CB C 28.254 0.076 . 196 17 ARG HB2 H 1.927 0.007 . 197 17 ARG HB3 H 2.022 0.005 . 198 17 ARG CG C 31.278 0.142 . 199 17 ARG HG2 H 1.658 0.002 . 200 17 ARG HG3 H 2.026 0.004 . 201 17 ARG CD C 43.047 0.072 . 202 17 ARG HD2 H 3.355 0.007 . 203 17 ARG NE N 118.913 0.048 . 204 17 ARG HE H 7.154 0.008 . 205 17 ARG CZ C 172.499 0.000 . 206 17 ARG C C 175.260 0.000 . 207 18 PRO N N 136.277 0.014 . 208 18 PRO CD C 50.961 0.064 . 209 18 PRO CA C 65.997 0.087 . 210 18 PRO HA H 4.371 0.003 . 211 18 PRO CB C 30.954 0.106 . 212 18 PRO HB2 H 1.586 0.004 . 213 18 PRO HB3 H 2.344 0.004 . 214 18 PRO CG C 28.179 0.027 . 215 18 PRO HG2 H 1.945 0.007 . 216 18 PRO HG3 H 2.027 0.003 . 217 18 PRO HD2 H 3.379 0.007 . 218 18 PRO HD3 H 3.743 0.006 . 219 18 PRO C C 178.393 0.009 . 220 19 TYR N N 116.197 0.051 . 221 19 TYR H H 7.792 0.005 . 222 19 TYR CA C 59.481 0.036 . 223 19 TYR HA H 4.376 0.002 . 224 19 TYR CB C 37.448 0.038 . 225 19 TYR HB2 H 3.212 0.009 . 226 19 TYR HB3 H 3.233 0.012 . 227 19 TYR HD2 H 7.143 0.004 . 228 19 TYR HE2 H 6.812 0.003 . 229 19 TYR CD1 C 86.512 0.066 . 230 19 TYR CE1 C 72.036 0.077 . 231 19 TYR CE2 C 72.036 0.077 . 232 19 TYR CD2 C 86.512 0.066 . 233 19 TYR C C 177.756 0.007 . 234 20 LEU N N 118.358 0.043 . 235 20 LEU H H 7.819 0.004 . 236 20 LEU CA C 56.182 0.074 . 237 20 LEU HA H 4.000 0.016 . 238 20 LEU CB C 41.081 0.106 . 239 20 LEU HB2 H 1.305 0.004 . 240 20 LEU HB3 H 1.800 0.003 . 241 20 LEU CG C 27.047 0.080 . 242 20 LEU HG H 1.719 0.016 . 243 20 LEU HD1 H 0.678 0.003 . 244 20 LEU HD2 H 0.749 0.005 . 245 20 LEU CD1 C 23.245 0.088 . 246 20 LEU CD2 C 25.688 0.250 . 247 20 LEU C C 178.592 0.026 . 248 21 ALA N N 121.428 0.052 . 249 21 ALA H H 7.663 0.006 . 250 21 ALA CA C 54.735 0.180 . 251 21 ALA HA H 4.082 0.006 . 252 21 ALA HB H 1.480 0.008 . 253 21 ALA CB C 18.133 0.068 . 254 21 ALA C C 179.615 0.012 . 255 22 GLY N N 104.768 0.080 . 256 22 GLY H H 7.943 0.006 . 257 22 GLY CA C 45.542 0.103 . 258 22 GLY HA2 H 4.122 0.003 . 259 22 GLY HA3 H 3.984 0.003 . 260 22 GLY C C 174.723 0.000 . 261 23 THR N N 110.599 0.062 . 262 23 THR H H 7.499 0.005 . 263 23 THR CA C 60.884 0.065 . 264 23 THR HA H 4.467 0.004 . 265 23 THR CB C 69.121 0.028 . 266 23 THR HB H 4.293 0.006 . 267 23 THR HG2 H 1.074 0.005 . 268 23 THR CG2 C 21.521 0.119 . 269 23 THR C C 174.762 0.056 . 270 24 GLY N N 108.753 0.036 . 271 24 GLY H H 7.881 0.006 . 272 24 GLY CA C 45.050 0.045 . 273 24 GLY HA2 H 4.331 0.005 . 274 24 GLY HA3 H 3.721 0.004 . 275 24 GLY C C 174.421 0.000 . 276 25 GLY N N 108.379 0.062 . 277 25 GLY H H 8.070 0.005 . 278 25 GLY CA C 44.296 0.198 . 279 25 GLY HA2 H 4.262 0.005 . 280 25 GLY HA3 H 3.720 0.008 . 281 25 GLY C C 172.359 0.000 . 282 26 GLY N N 106.069 0.030 . 283 26 GLY H H 8.071 0.003 . 284 26 GLY CA C 45.010 0.119 . 285 26 GLY HA2 H 4.345 0.007 . 286 26 GLY HA3 H 4.122 0.004 . 287 26 GLY C C 172.122 0.008 . 288 27 GLY N N 107.978 0.022 . 289 27 GLY H H 8.155 0.005 . 290 27 GLY CA C 44.381 0.056 . 291 27 GLY HA2 H 4.393 0.004 . 292 27 GLY HA3 H 3.578 0.003 . 293 27 GLY C C 171.362 0.000 . 294 28 LEU N N 120.127 0.039 . 295 28 LEU H H 8.645 0.003 . 296 28 LEU CA C 53.174 0.034 . 297 28 LEU HA H 5.376 0.006 . 298 28 LEU CB C 46.293 0.021 . 299 28 LEU HB2 H 1.459 0.008 . 300 28 LEU CG C 26.961 0.031 . 301 28 LEU HG H 1.523 0.029 . 302 28 LEU HD1 H 0.895 0.010 . 303 28 LEU HD2 H 0.866 0.016 . 304 28 LEU CD1 C 26.496 0.061 . 305 28 LEU CD2 C 25.938 0.783 . 306 28 LEU C C 175.405 0.008 . 307 29 GLN N N 123.336 0.041 . 308 29 GLN H H 9.096 0.005 . 309 29 GLN CA C 53.752 0.009 . 310 29 GLN HA H 4.774 0.001 . 311 29 GLN CB C 32.334 0.136 . 312 29 GLN HB2 H 1.881 0.007 . 313 29 GLN HB3 H 1.963 0.022 . 314 29 GLN CG C 32.735 0.129 . 315 29 GLN HG2 H 2.305 0.004 . 316 29 GLN CD C 179.681 0.001 . 317 29 GLN NE2 N 111.508 0.034 . 318 29 GLN HE21 H 7.531 0.004 . 319 29 GLN HE22 H 6.857 0.002 . 320 29 GLN C C 174.502 0.024 . 321 30 PHE N N 128.346 0.069 . 322 30 PHE H H 9.898 0.004 . 323 30 PHE CA C 59.806 0.033 . 324 30 PHE HA H 4.049 0.006 . 325 30 PHE CB C 39.387 0.079 . 326 30 PHE HB2 H 3.027 0.008 . 327 30 PHE HD2 H 7.041 0.006 . 328 30 PHE HE2 H 7.293 0.006 . 329 30 PHE CD1 C 85.254 0.032 . 330 30 PHE CE1 C 82.320 0.035 . 331 30 PHE CZ C 84.413 0.132 . 332 30 PHE HZ H 7.178 0.008 . 333 30 PHE CE2 C 82.320 0.035 . 334 30 PHE CD2 C 85.254 0.032 . 335 30 PHE C C 173.614 0.016 . 336 31 LEU N N 125.153 0.065 . 337 31 LEU H H 7.526 0.007 . 338 31 LEU CA C 55.461 0.072 . 339 31 LEU HA H 4.492 0.006 . 340 31 LEU CB C 43.077 0.057 . 341 31 LEU HB2 H 1.174 0.005 . 342 31 LEU HB3 H 1.272 0.028 . 343 31 LEU CG C 26.324 0.098 . 344 31 LEU HG H 1.399 0.006 . 345 31 LEU HD1 H 0.700 0.005 . 346 31 LEU HD2 H 0.694 0.006 . 347 31 LEU CD1 C 26.197 0.156 . 348 31 LEU CD2 C 22.383 0.084 . 349 31 LEU C C 175.118 0.008 . 350 32 MET N N 112.091 0.092 . 351 32 MET H H 6.973 0.008 . 352 32 MET CA C 56.161 0.074 . 353 32 MET HA H 4.342 0.005 . 354 32 MET CB C 35.357 0.144 . 355 32 MET HB2 H 1.902 0.004 . 356 32 MET HB3 H 2.017 0.006 . 357 32 MET CG C 30.294 0.084 . 358 32 MET HG2 H 2.155 0.011 . 359 32 MET C C 172.966 0.018 . 360 33 ILE N N 122.575 0.055 . 361 33 ILE H H 8.744 0.007 . 362 33 ILE CA C 60.776 0.003 . 363 33 ILE HA H 4.765 0.001 . 364 33 ILE CB C 41.367 0.326 . 365 33 ILE HB H 1.717 0.007 . 366 33 ILE HG2 H 0.998 0.001 . 367 33 ILE CG2 C 18.151 0.272 . 368 33 ILE CG1 C 28.800 0.027 . 369 33 ILE HG12 H 2.050 0.004 . 370 33 ILE HG13 H 1.071 0.003 . 371 33 ILE HD1 H 0.789 0.014 . 372 33 ILE CD1 C 13.794 0.093 . 373 33 ILE C C 175.099 0.019 . 374 34 LYS N N 128.897 0.090 . 375 34 LYS H H 9.094 0.005 . 376 34 LYS CA C 54.587 0.086 . 377 34 LYS HA H 4.585 0.004 . 378 34 LYS CB C 33.926 0.040 . 379 34 LYS HB2 H 1.491 0.016 . 380 34 LYS HB3 H 1.786 0.005 . 381 34 LYS CG C 24.446 0.111 . 382 34 LYS HG2 H 1.293 0.003 . 383 34 LYS HG3 H 1.389 0.014 . 384 34 LYS CD C 29.068 0.003 . 385 34 LYS HD2 H 1.676 0.031 . 386 34 LYS CE C 42.023 0.073 . 387 34 LYS HE2 H 2.991 0.004 . 388 34 LYS C C 175.774 0.011 . 389 35 GLY N N 120.916 0.045 . 390 35 GLY H H 9.240 0.005 . 391 35 GLY CA C 44.820 0.174 . 392 35 GLY HA2 H 4.220 0.004 . 393 35 GLY HA3 H 3.571 0.010 . 394 36 PRO N N 134.790 0.000 . 395 36 PRO CD C 49.295 0.036 . 396 36 PRO CA C 62.856 0.011 . 397 36 PRO HA H 4.716 0.005 . 398 36 PRO CB C 31.393 0.012 . 399 36 PRO HB2 H 2.199 0.011 . 400 36 PRO HB3 H 2.238 0.014 . 401 36 PRO CG C 25.771 0.174 . 402 36 PRO HG2 H 1.783 0.006 . 403 36 PRO HG3 H 2.096 0.002 . 404 36 PRO HD2 H 3.743 0.004 . 405 36 PRO HD3 H 3.913 0.004 . 406 36 PRO C C 174.637 0.000 . 407 37 ILE N N 122.036 0.076 . 408 37 ILE H H 7.795 0.004 . 409 37 ILE CA C 60.553 0.014 . 410 37 ILE HA H 4.891 0.002 . 411 37 ILE CB C 39.180 0.046 . 412 37 ILE HB H 2.111 0.003 . 413 37 ILE HG2 H 0.695 0.003 . 414 37 ILE CG2 C 16.738 0.196 . 415 37 ILE CG1 C 27.742 0.197 . 416 37 ILE HG12 H 1.613 0.006 . 417 37 ILE HG13 H 0.988 0.005 . 418 37 ILE HD1 H 0.886 0.003 . 419 37 ILE CD1 C 13.489 0.097 . 420 37 ILE C C 174.854 0.021 . 421 38 VAL N N 123.957 0.053 . 422 38 VAL H H 8.428 0.005 . 423 38 VAL CA C 60.253 0.028 . 424 38 VAL HA H 4.789 0.002 . 425 38 VAL CB C 34.963 0.453 . 426 38 VAL HB H 1.891 0.011 . 427 38 VAL HG1 H 1.045 0.008 . 428 38 VAL HG2 H 1.077 0.006 . 429 38 VAL CG1 C 21.838 0.153 . 430 38 VAL CG2 C 23.693 0.106 . 431 38 VAL C C 173.153 0.014 . 432 39 LYS N N 125.376 0.035 . 433 39 LYS H H 8.904 0.004 . 434 39 LYS CA C 54.594 0.133 . 435 39 LYS HA H 5.425 0.008 . 436 39 LYS CB C 34.595 0.065 . 437 39 LYS HB2 H 1.556 0.005 . 438 39 LYS HB3 H 1.605 0.027 . 439 39 LYS CG C 25.413 0.200 . 440 39 LYS HG2 H 1.341 0.020 . 441 39 LYS HG3 H 1.212 0.012 . 442 39 LYS CD C 29.724 0.050 . 443 39 LYS HD2 H 1.530 0.007 . 444 39 LYS HD3 H 1.555 0.018 . 445 39 LYS CE C 41.831 0.100 . 446 39 LYS HE2 H 2.781 0.004 . 447 39 LYS C C 174.910 0.011 . 448 40 VAL N N 121.684 0.038 . 449 40 VAL H H 8.724 0.006 . 450 40 VAL CA C 59.451 0.046 . 451 40 VAL HA H 4.578 0.004 . 452 40 VAL CB C 36.282 0.029 . 453 40 VAL HB H 1.865 0.007 . 454 40 VAL HG1 H 0.769 0.015 . 455 40 VAL HG2 H 0.797 0.006 . 456 40 VAL CG1 C 20.993 0.096 . 457 40 VAL CG2 C 22.028 0.027 . 458 40 VAL C C 172.439 0.007 . 459 41 ARG N N 125.218 0.052 . 460 41 ARG H H 9.456 0.004 . 461 41 ARG CA C 54.326 0.056 . 462 41 ARG HA H 4.990 0.007 . 463 41 ARG CB C 32.492 0.092 . 464 41 ARG HB2 H 1.530 0.020 . 465 41 ARG HB3 H 1.752 0.005 . 466 41 ARG CG C 27.475 0.222 . 467 41 ARG HG2 H 1.368 0.005 . 468 41 ARG HG3 H 1.476 0.016 . 469 41 ARG CD C 43.135 0.049 . 470 41 ARG HD2 H 3.131 0.004 . 471 41 ARG HD3 H 3.041 0.012 . 472 41 ARG NE N 118.145 0.039 . 473 41 ARG HE H 7.344 0.027 . 474 41 ARG CZ C 172.551 0.000 . 475 41 ARG C C 174.526 0.007 . 476 42 LEU N N 129.983 0.075 . 477 42 LEU H H 8.860 0.011 . 478 42 LEU CA C 53.485 0.149 . 479 42 LEU HA H 5.391 0.007 . 480 42 LEU CB C 44.469 0.053 . 481 42 LEU HB2 H 1.324 0.003 . 482 42 LEU HB3 H 1.663 0.004 . 483 42 LEU CG C 27.583 0.189 . 484 42 LEU HG H 1.516 0.020 . 485 42 LEU HD1 H 0.859 0.014 . 486 42 LEU HD2 H 0.935 0.012 . 487 42 LEU CD1 C 27.159 0.169 . 488 42 LEU CD2 C 24.437 0.060 . 489 42 LEU C C 174.735 0.039 . 490 43 THR N N 115.178 0.035 . 491 43 THR H H 8.807 0.006 . 492 43 THR CA C 59.418 0.010 . 493 43 THR HA H 4.766 0.001 . 494 43 THR CB C 71.754 0.019 . 495 43 THR HB H 4.271 0.003 . 496 43 THR HG2 H 1.048 0.005 . 497 43 THR CG2 C 21.390 0.088 . 498 43 THR C C 174.194 0.014 . 499 44 GLY N N 106.470 0.051 . 500 44 GLY H H 8.432 0.004 . 501 44 GLY CA C 44.514 0.124 . 502 44 GLY HA2 H 4.394 0.003 . 503 44 GLY HA3 H 3.896 0.004 . 504 45 PRO CD C 49.627 0.302 . 505 45 PRO CA C 64.783 0.301 . 506 45 PRO HA H 4.291 0.008 . 507 45 PRO CB C 31.655 0.344 . 508 45 PRO HB2 H 2.412 0.016 . 509 45 PRO HB3 H 1.859 0.008 . 510 45 PRO CG C 27.505 0.178 . 511 45 PRO HG2 H 1.987 0.013 . 512 45 PRO HG3 H 2.149 0.006 . 513 45 PRO HD2 H 3.657 0.020 . 514 45 PRO HD3 H 3.438 0.004 . 515 46 ALA N N 108.837 0.080 . 516 46 ALA H H 7.130 0.006 . 517 46 ALA CA C 54.487 0.083 . 518 46 ALA HA H 4.098 0.002 . 519 46 ALA HB H 1.398 0.002 . 520 46 ALA CB C 19.352 0.056 . 521 47 ALA N N 113.999 0.000 . 522 47 ALA CA C 53.955 0.131 . 523 47 ALA HA H 3.882 0.004 . 524 47 ALA HB H 1.384 0.007 . 525 47 ALA CB C 19.129 0.028 . 526 48 VAL H H 7.140 0.005 . 527 48 VAL CA C 61.308 0.145 . 528 48 VAL HA H 4.314 0.005 . 529 48 VAL HB H 2.386 0.008 . 530 48 VAL HG1 H 0.953 0.011 . 531 48 VAL HG2 H 1.002 0.002 . 532 48 VAL CG1 C 21.054 0.108 . 533 48 VAL CG2 C 19.565 0.040 . 534 49 VAL N N 122.606 0.039 . 535 49 VAL H H 7.626 0.006 . 536 49 VAL CA C 63.096 0.035 . 537 49 VAL HA H 3.603 0.000 . 538 49 VAL CB C 31.640 0.000 . 539 49 VAL HB H 2.248 0.015 . 540 49 VAL HG1 H 1.017 0.004 . 541 49 VAL HG2 H 0.980 0.002 . 542 49 VAL CG1 C 21.259 0.035 . 543 49 VAL CG2 C 19.181 0.012 . 544 49 VAL C C 176.190 0.000 . 545 50 ARG N N 128.065 0.000 . 546 50 ARG CA C 60.270 0.321 . 547 50 ARG HA H 3.872 0.006 . 548 50 ARG CB C 29.696 0.320 . 549 50 ARG HB2 H 1.987 0.034 . 550 50 ARG HB3 H 1.920 0.014 . 551 50 ARG CG C 27.141 0.355 . 552 50 ARG HG2 H 1.651 0.006 . 553 50 ARG HG3 H 1.773 0.014 . 554 50 ARG CD C 43.132 0.034 . 555 50 ARG HD2 H 3.265 0.003 . 556 50 ARG HE H 9.043 0.000 . 557 50 ARG C C 177.803 0.000 . 558 51 THR N N 108.185 0.039 . 559 51 THR H H 7.897 0.007 . 560 51 THR CA C 65.269 0.075 . 561 51 THR HA H 3.962 0.007 . 562 51 THR CB C 68.263 0.069 . 563 51 THR HB H 4.217 0.003 . 564 51 THR HG2 H 1.323 0.001 . 565 51 THR CG2 C 22.158 0.030 . 566 51 THR C C 177.070 0.000 . 567 52 VAL N N 122.747 0.043 . 568 52 VAL CA C 65.713 0.076 . 569 52 VAL HA H 3.833 0.007 . 570 52 VAL CB C 31.571 0.140 . 571 52 VAL HB H 2.384 0.005 . 572 52 VAL HG1 H 1.044 0.007 . 573 52 VAL HG2 H 0.856 0.009 . 574 52 VAL CG1 C 22.677 0.060 . 575 52 VAL CG2 C 21.996 0.072 . 576 52 VAL C C 176.718 0.000 . 577 53 ARG N N 118.433 0.057 . 578 53 ARG H H 7.744 0.010 . 579 53 ARG CA C 60.274 0.107 . 580 53 ARG HA H 3.624 0.009 . 581 53 ARG CB C 29.990 0.412 . 582 53 ARG HB2 H 1.894 0.013 . 583 53 ARG CG C 27.962 0.425 . 584 53 ARG HG2 H 1.405 0.024 . 585 53 ARG HG3 H 1.751 0.019 . 586 53 ARG CD C 43.147 0.037 . 587 53 ARG HD2 H 3.417 0.008 . 588 53 ARG HD3 H 3.061 0.006 . 589 53 ARG HE H 7.394 0.000 . 590 53 ARG C C 178.815 0.032 . 591 54 ILE N N 117.529 0.070 . 592 54 ILE H H 7.770 0.011 . 593 54 ILE CA C 64.077 0.082 . 594 54 ILE HA H 3.744 0.004 . 595 54 ILE CB C 38.338 0.232 . 596 54 ILE HB H 1.819 0.008 . 597 54 ILE HG2 H 0.939 0.013 . 598 54 ILE CG2 C 16.961 0.106 . 599 54 ILE CG1 C 28.605 0.283 . 600 54 ILE HG12 H 1.229 0.003 . 601 54 ILE HG13 H 1.708 0.010 . 602 54 ILE HD1 H 0.862 0.004 . 603 54 ILE CD1 C 12.771 0.015 . 604 54 ILE C C 177.522 0.008 . 605 55 ALA N N 122.344 0.078 . 606 55 ALA H H 7.661 0.003 . 607 55 ALA CA C 55.072 0.186 . 608 55 ALA HA H 4.096 0.004 . 609 55 ALA HB H 1.459 0.006 . 610 55 ALA CB C 18.334 0.095 . 611 55 ALA C C 180.085 0.155 . 612 56 VAL N N 116.372 0.066 . 613 56 VAL H H 8.521 0.005 . 614 56 VAL CA C 66.571 0.091 . 615 56 VAL HA H 3.458 0.013 . 616 56 VAL CB C 31.603 0.081 . 617 56 VAL HB H 2.100 0.003 . 618 56 VAL HG1 H 1.077 0.009 . 619 56 VAL HG2 H 0.835 0.015 . 620 56 VAL CG1 C 23.485 0.075 . 621 56 VAL CG2 C 21.769 0.262 . 622 56 VAL C C 176.441 0.023 . 623 57 SER N N 110.947 0.026 . 624 57 SER H H 7.235 0.006 . 625 57 SER CA C 61.645 0.060 . 626 57 SER HA H 4.038 0.006 . 627 57 SER CB C 62.845 0.243 . 628 57 SER HB2 H 3.983 0.018 . 629 57 SER C C 175.649 0.028 . 630 58 LYS N N 118.758 0.030 . 631 58 LYS H H 8.375 0.007 . 632 58 LYS CA C 59.213 0.342 . 633 58 LYS HA H 3.937 0.004 . 634 58 LYS CB C 32.891 0.088 . 635 58 LYS HB2 H 1.834 0.018 . 636 58 LYS HB3 H 1.863 0.015 . 637 58 LYS CG C 25.036 0.077 . 638 58 LYS HG2 H 1.524 0.004 . 639 58 LYS HG3 H 1.339 0.007 . 640 58 LYS CD C 29.373 0.063 . 641 58 LYS HD2 H 1.626 0.039 . 642 58 LYS CE C 41.866 0.010 . 643 58 LYS HE2 H 2.941 0.003 . 644 58 LYS C C 178.844 0.005 . 645 59 LYS N N 117.715 0.058 . 646 59 LYS H H 8.292 0.004 . 647 59 LYS CA C 58.497 0.041 . 648 59 LYS HA H 4.090 0.003 . 649 59 LYS CB C 31.316 0.276 . 650 59 LYS HB2 H 1.655 0.003 . 651 59 LYS HB3 H 1.883 0.009 . 652 59 LYS CG C 24.988 0.119 . 653 59 LYS HG2 H 1.466 0.020 . 654 59 LYS CD C 27.992 0.082 . 655 59 LYS HD2 H 1.487 0.023 . 656 59 LYS HD3 H 1.668 0.014 . 657 59 LYS CE C 41.408 0.132 . 658 59 LYS HE2 H 2.654 0.010 . 659 59 LYS HE3 H 2.795 0.007 . 660 59 LYS C C 178.863 0.009 . 661 60 LEU N N 116.840 0.040 . 662 60 LEU H H 7.651 0.008 . 663 60 LEU CA C 58.834 0.095 . 664 60 LEU HA H 3.942 0.003 . 665 60 LEU CB C 41.943 0.060 . 666 60 LEU HB2 H 1.285 0.007 . 667 60 LEU HB3 H 1.981 0.005 . 668 60 LEU HG H 1.684 0.004 . 669 60 LEU HD1 H 0.834 0.010 . 670 60 LEU HD2 H 0.870 0.021 . 671 60 LEU CD1 C 26.326 0.110 . 672 60 LEU CD2 C 24.792 0.620 . 673 60 LEU C C 177.239 0.007 . 674 61 ARG N N 113.865 0.051 . 675 61 ARG H H 7.446 0.005 . 676 61 ARG CA C 59.113 0.079 . 677 61 ARG HA H 3.953 0.012 . 678 61 ARG CB C 29.457 0.118 . 679 61 ARG HB2 H 1.729 0.009 . 680 61 ARG HB3 H 1.891 0.006 . 681 61 ARG CG C 29.056 0.212 . 682 61 ARG HG2 H 1.360 0.006 . 683 61 ARG HG3 H 1.891 0.012 . 684 61 ARG CD C 43.163 0.076 . 685 61 ARG HD2 H 3.069 0.016 . 686 61 ARG NE N 118.931 0.016 . 687 61 ARG HE H 6.786 0.007 . 688 61 ARG CZ C 172.975 0.000 . 689 61 ARG C C 177.932 0.019 . 690 62 GLU N N 117.414 0.052 . 691 62 GLU H H 8.114 0.004 . 692 62 GLU CA C 58.311 0.057 . 693 62 GLU HA H 3.993 0.002 . 694 62 GLU CB C 30.065 0.069 . 695 62 GLU HB2 H 2.042 0.009 . 696 62 GLU HB3 H 2.170 0.005 . 697 62 GLU CG C 36.279 0.038 . 698 62 GLU HG2 H 2.404 0.004 . 699 62 GLU HG3 H 2.155 0.011 . 700 62 GLU C C 178.350 0.004 . 701 63 LYS N N 114.674 0.049 . 702 63 LYS H H 7.483 0.004 . 703 63 LYS CA C 56.920 0.074 . 704 63 LYS HA H 4.269 0.004 . 705 63 LYS CB C 33.782 0.071 . 706 63 LYS HB2 H 1.749 0.020 . 707 63 LYS HB3 H 1.922 0.008 . 708 63 LYS CG C 25.870 0.163 . 709 63 LYS HG2 H 1.560 0.035 . 710 63 LYS HG3 H 1.649 0.009 . 711 63 LYS CD C 28.559 0.077 . 712 63 LYS HD2 H 1.639 0.005 . 713 63 LYS HD3 H 1.692 0.002 . 714 63 LYS CE C 42.023 0.090 . 715 63 LYS HE2 H 2.971 0.016 . 716 63 LYS HE3 H 3.005 0.005 . 717 63 LYS C C 175.914 0.015 . 718 64 ILE N N 117.942 0.028 . 719 64 ILE H H 7.855 0.006 . 720 64 ILE CA C 58.248 0.000 . 721 64 ILE HA H 4.761 0.006 . 722 64 ILE CB C 36.237 0.165 . 723 64 ILE HB H 2.211 0.009 . 724 64 ILE HG2 H 0.749 0.009 . 725 64 ILE CG2 C 13.925 0.068 . 726 64 ILE CG1 C 26.502 0.081 . 727 64 ILE HG12 H 1.477 0.005 . 728 64 ILE HG13 H 0.877 0.013 . 729 64 ILE HD1 H 0.790 0.005 . 730 64 ILE CD1 C 18.766 0.056 . 731 64 ILE C C 172.589 0.000 . 732 65 PRO CD C 50.432 0.081 . 733 65 PRO CA C 64.351 0.004 . 734 65 PRO HA H 4.740 0.008 . 735 65 PRO CB C 31.744 0.080 . 736 65 PRO HB2 H 1.991 0.002 . 737 65 PRO HB3 H 2.379 0.004 . 738 65 PRO CG C 27.027 0.052 . 739 65 PRO HG2 H 1.973 0.005 . 740 65 PRO HD2 H 3.434 0.004 . 741 65 PRO HD3 H 3.814 0.006 . 742 65 PRO C C 177.205 0.008 . 743 66 SER N N 111.725 0.060 . 744 66 SER H H 8.102 0.007 . 745 66 SER CA C 59.799 0.072 . 746 66 SER HA H 4.281 0.014 . 747 66 SER CB C 63.114 0.022 . 748 66 SER HB2 H 3.899 0.006 . 749 66 SER C C 175.310 0.029 . 750 67 ILE N N 121.327 0.076 . 751 67 ILE H H 8.135 0.005 . 752 67 ILE CA C 63.270 0.078 . 753 67 ILE HA H 3.675 0.005 . 754 67 ILE CB C 38.320 0.044 . 755 67 ILE HB H 1.844 0.009 . 756 67 ILE HG2 H 0.707 0.018 . 757 67 ILE CG2 C 18.357 0.163 . 758 67 ILE CG1 C 29.282 0.131 . 759 67 ILE HG12 H 0.792 0.008 . 760 67 ILE HG13 H 1.857 0.003 . 761 67 ILE HD1 H 0.850 0.023 . 762 67 ILE CD1 C 15.748 0.053 . 763 67 ILE C C 175.353 0.000 . 764 68 GLN N N 125.037 0.059 . 765 68 GLN H H 9.243 0.005 . 766 68 GLN CA C 56.329 0.040 . 767 68 GLN HA H 4.520 0.004 . 768 68 GLN CB C 30.634 0.370 . 769 68 GLN HB2 H 1.851 0.004 . 770 68 GLN HB3 H 2.172 0.008 . 771 68 GLN CG C 33.852 0.112 . 772 68 GLN HG2 H 2.530 0.006 . 773 68 GLN HG3 H 2.441 0.026 . 774 68 GLN CD C 179.435 0.026 . 775 68 GLN NE2 N 111.610 0.050 . 776 68 GLN HE21 H 7.520 0.008 . 777 68 GLN HE22 H 6.834 0.004 . 778 68 GLN C C 175.653 0.020 . 779 69 ILE N N 117.908 0.035 . 780 69 ILE H H 7.457 0.006 . 781 69 ILE CA C 59.861 0.047 . 782 69 ILE HA H 4.286 0.005 . 783 69 ILE CB C 42.817 0.084 . 784 69 ILE HB H 1.720 0.005 . 785 69 ILE HG2 H 0.861 0.004 . 786 69 ILE CG2 C 16.975 0.438 . 787 69 ILE CG1 C 27.169 0.110 . 788 69 ILE HG12 H 1.428 0.003 . 789 69 ILE HG13 H 1.091 0.004 . 790 69 ILE HD1 H 0.857 0.004 . 791 69 ILE CD1 C 12.723 0.023 . 792 69 ILE C C 173.374 0.008 . 793 70 VAL N N 125.573 0.063 . 794 70 VAL H H 8.503 0.005 . 795 70 VAL CA C 60.464 0.017 . 796 70 VAL HA H 4.700 0.002 . 797 70 VAL CB C 32.666 0.027 . 798 70 VAL HB H 2.012 0.003 . 799 70 VAL HG1 H 0.720 0.005 . 800 70 VAL HG2 H 0.986 0.019 . 801 70 VAL CG1 C 21.021 0.071 . 802 70 VAL CG2 C 22.291 0.063 . 803 70 VAL C C 175.182 0.010 . 804 71 GLN N N 128.851 0.069 . 805 71 GLN H H 9.298 0.009 . 806 71 GLN CA C 54.521 0.022 . 807 71 GLN HA H 4.549 0.007 . 808 71 GLN CB C 29.680 0.147 . 809 71 GLN HB2 H 1.885 0.004 . 810 71 GLN HB3 H 1.809 0.014 . 811 71 GLN CG C 33.644 0.081 . 812 71 GLN HG2 H 2.187 0.006 . 813 71 GLN CD C 178.805 0.006 . 814 71 GLN NE2 N 108.942 0.043 . 815 71 GLN HE21 H 7.174 0.003 . 816 71 GLN HE22 H 6.744 0.014 . 817 71 GLN C C 173.463 0.062 . 818 72 LEU N N 125.236 0.064 . 819 72 LEU H H 8.467 0.009 . 820 72 LEU CA C 53.053 0.038 . 821 72 LEU HA H 5.150 0.004 . 822 72 LEU CB C 41.739 0.163 . 823 72 LEU HB2 H 1.252 0.004 . 824 72 LEU HB3 H 1.823 0.013 . 825 72 LEU CG C 26.753 0.118 . 826 72 LEU HG H 1.563 0.005 . 827 72 LEU HD1 H 0.911 0.006 . 828 72 LEU HD2 H 0.719 0.005 . 829 72 LEU CD1 C 26.413 0.038 . 830 72 LEU CD2 C 24.513 0.050 . 831 72 LEU C C 175.995 0.026 . 832 73 LEU N N 127.931 0.044 . 833 73 LEU H H 9.050 0.005 . 834 73 LEU CA C 54.250 0.017 . 835 73 LEU HA H 4.674 0.001 . 836 73 LEU CB C 43.305 0.080 . 837 73 LEU HB2 H 1.372 0.006 . 838 73 LEU HB3 H 1.838 0.005 . 839 73 LEU CG C 28.378 0.090 . 840 73 LEU HG H 1.628 0.009 . 841 73 LEU HD1 H 0.811 0.008 . 842 73 LEU HD2 H 0.823 0.006 . 843 73 LEU CD1 C 25.143 0.122 . 844 73 LEU CD2 C 24.536 0.342 . 845 73 LEU C C 175.236 0.011 . 846 74 SER N N 120.529 0.038 . 847 74 SER H H 8.023 0.004 . 848 74 SER CA C 59.324 0.011 . 849 74 SER HA H 4.604 0.006 . 850 74 SER CB C 65.427 0.078 . 851 74 SER HB2 H 3.874 0.006 . 852 74 SER HB3 H 3.943 0.005 . 853 74 SER C C 178.752 0.000 . stop_ save_