data_6716 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the helicase-interaction domain of the primase DnaG: a model for helicase activation ; _BMRB_accession_number 6716 _BMRB_flat_file_name bmr6716.str _Entry_type original _Submission_date 2005-06-30 _Accession_date 2005-07-21 _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 Syson K. . . 2 Thirlway J. . . 3 Hounslow A. M. . 4 Soultanas P. . . 5 Waltho J. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 718 "13C chemical shifts" 581 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-25 original author . stop_ _Original_release_date 2006-04-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the helicase-interaction domain of the primase DnaG: a model for helicase activation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15837199 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Syson K. . . 2 Thirlway J. . . 3 Hounslow A. M. . 4 Soultanas P. . . 5 Waltho J. P. . stop_ _Journal_abbreviation 'Structure (Cambridge, MA, U. S.)' _Journal_volume 13 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 609 _Page_last 616 _Year 2005 _Details . loop_ _Keyword 'two alpha helical sub-domains' stop_ save_ ################################## # Molecular system description # ################################## save_system_DNA_primase _Saveframe_category molecular_system _Mol_system_name 'DNA primase (E.C.2.7.7.-)' _Abbreviation_common 'DNA primase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA primase' $DNA_primase stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DNA_primase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'DNA primase' _Abbreviation_common 'DNA primase' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; MAKKLLPAFQNAERLLLAHM MRSRDVALVVQERIGGRFNI EEHRALAAYIYAFYEEGHEA DPGALISRIPGELQPLASEL SLLLIADDVSEQELEDYIRH VLNRPKWLMLKVKEQEKTEA ERRKDFLTAARIAKEMIEMK KMLSSS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LYS 4 LYS 5 LEU 6 LEU 7 PRO 8 ALA 9 PHE 10 GLN 11 ASN 12 ALA 13 GLU 14 ARG 15 LEU 16 LEU 17 LEU 18 ALA 19 HIS 20 MET 21 MET 22 ARG 23 SER 24 ARG 25 ASP 26 VAL 27 ALA 28 LEU 29 VAL 30 VAL 31 GLN 32 GLU 33 ARG 34 ILE 35 GLY 36 GLY 37 ARG 38 PHE 39 ASN 40 ILE 41 GLU 42 GLU 43 HIS 44 ARG 45 ALA 46 LEU 47 ALA 48 ALA 49 TYR 50 ILE 51 TYR 52 ALA 53 PHE 54 TYR 55 GLU 56 GLU 57 GLY 58 HIS 59 GLU 60 ALA 61 ASP 62 PRO 63 GLY 64 ALA 65 LEU 66 ILE 67 SER 68 ARG 69 ILE 70 PRO 71 GLY 72 GLU 73 LEU 74 GLN 75 PRO 76 LEU 77 ALA 78 SER 79 GLU 80 LEU 81 SER 82 LEU 83 LEU 84 LEU 85 ILE 86 ALA 87 ASP 88 ASP 89 VAL 90 SER 91 GLU 92 GLN 93 GLU 94 LEU 95 GLU 96 ASP 97 TYR 98 ILE 99 ARG 100 HIS 101 VAL 102 LEU 103 ASN 104 ARG 105 PRO 106 LYS 107 TRP 108 LEU 109 MET 110 LEU 111 LYS 112 VAL 113 LYS 114 GLU 115 GLN 116 GLU 117 LYS 118 THR 119 GLU 120 ALA 121 GLU 122 ARG 123 ARG 124 LYS 125 ASP 126 PHE 127 LEU 128 THR 129 ALA 130 ALA 131 ARG 132 ILE 133 ALA 134 LYS 135 GLU 136 MET 137 ILE 138 GLU 139 MET 140 LYS 141 LYS 142 MET 143 LEU 144 SER 145 SER 146 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1Z8S "Dnab Binding Domain Of Dnag (P16) From Bacillus Stearothermophilus (Residues 452-597)" 100.00 146 100.00 100.00 7.08e-99 GB AAD20315 "DNA primase [Geobacillus stearothermophilus]" 100.00 597 97.95 100.00 1.41e-91 GB KFL17518 "DNA primase [Geobacillus stearothermophilus]" 100.00 598 97.95 99.32 4.78e-91 GB KFX31918 "DNA primase [Geobacillus stearothermophilus]" 100.00 598 97.95 99.32 4.78e-91 REF WP_033007926 "DNA primase [Geobacillus stearothermophilus]" 100.00 598 97.95 99.32 4.78e-91 REF WP_033014674 "DNA primase [Geobacillus stearothermophilus]" 100.00 598 99.32 100.00 1.74e-92 SP Q9X4D0 "RecName: Full=DNA primase [Geobacillus stearothermophilus]" 100.00 597 97.95 100.00 1.41e-91 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DNA_primase 'Geobacillus stearothermophilus' 1422 Bacteria . Geobacillus stearothermophilus 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 $DNA_primase '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 $DNA_primase 1 mM [U-15N] 'potassium phosphate' 20 mM . 'sodium chloride' 200 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA_primase 1 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM . 'sodium chloride' 200 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DNA_primase 0.5 mM [U-15N] 'potassium phosphate' 20 mM . 'sodium chloride' 200 mM . H2O 50 % . D2O 50 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Task collection stop_ _Details Bruker save_ save_FELIX _Saveframe_category software _Name FELIX _Version 2000 loop_ _Task 'data analysis' processing stop_ _Details 'Accelrys Inc., San Diego, CA' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task refinement 'structure solution' stop_ _Details 'Brunger, et al.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_simultaneously_acquired_15N-_and_13C-edited_3D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'simultaneously acquired 15N- and 13C-edited 3D NOESY' _Sample_label . save_ save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name 'simultaneously acquired 15N- and 13C-edited 3D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 220 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . 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 . C 13 . ppm . . . . . . . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'DNA primase' _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 MET C C 179.499 . . 2 . 1 MET CA C 57.777 . . 3 . 2 ALA H H 8.279 . . 4 . 2 ALA HA H 4.096404 . . 5 . 2 ALA HB H 1.527047 . . 6 . 2 ALA C C 176.978 . . 7 . 2 ALA CA C 52.162 . . 8 . 2 ALA CB C 20.191 . . 9 . 2 ALA N N 118.352 . . 10 . 3 LYS C C 176.235 . . 11 . 3 LYS CA C 56.372 . . 12 . 3 LYS CB C 33.184 . . 13 . 4 LYS H H 8.433 . . 14 . 4 LYS HA H 4.332462 . . 15 . 4 LYS HB2 H 1.773577 . . 16 . 4 LYS HB3 H 1.773577 . . 17 . 4 LYS HG2 H 1.443718 . . 18 . 4 LYS HG3 H 1.443718 . . 19 . 4 LYS HD2 H 1.700626 . . 20 . 4 LYS HD3 H 1.700626 . . 21 . 4 LYS HE2 H 3.013347 . . 22 . 4 LYS HE3 H 3.013347 . . 23 . 4 LYS C C 175.96 . . 24 . 4 LYS CA C 56.3435 . . 25 . 4 LYS CB C 33.166 . . 26 . 4 LYS CG C 24.95684 . . 27 . 4 LYS CD C 29.41511 . . 28 . 4 LYS CE C 42.31261 . . 29 . 4 LYS N N 123.839 . . 30 . 5 LEU H H 8.367 . . 31 . 5 LEU HA H 4.390772 . . 32 . 5 LEU HB2 H 1.566426 . . 33 . 5 LEU HB3 H 1.612248 . . 34 . 5 LEU HG H 1.597455 . . 35 . 5 LEU HD1 H 0.8653957 . . 36 . 5 LEU HD2 H 0.9251203 . . 37 . 5 LEU C C 176.687 . . 38 . 5 LEU CA C 54.8535 . . 39 . 5 LEU CB C 42.289 . . 40 . 5 LEU CG C 26.95139 . . 41 . 5 LEU CD1 C 23.76615 . . 42 . 5 LEU CD2 C 24.969 . . 43 . 5 LEU N N 125.009 . . 44 . 6 LEU H H 8.324 . . 45 . 6 LEU HA H 4.596334 . . 46 . 6 LEU HB2 H 1.182477 . . 47 . 6 LEU HB3 H 1.552201 . . 48 . 6 LEU HG H 1.603774 . . 49 . 6 LEU HD1 H 0.772909 . . 50 . 6 LEU HD2 H 0.772909 . . 51 . 6 LEU C C 174.61 . . 52 . 6 LEU CA C 52.699 . . 53 . 6 LEU CB C 41.951 . . 54 . 6 LEU CG C 26.64600 . . 55 . 6 LEU CD1 C 22.75447 . . 56 . 6 LEU CD2 C 22.75447 . . 57 . 6 LEU N N 124.567 . . 58 . 7 PRO HA H 4.471601 . . 59 . 7 PRO HB2 H 2.578794 . . 60 . 7 PRO HB3 H 1.775081 . . 61 . 7 PRO HG2 H 1.955222 . . 62 . 7 PRO HG3 H 2.153491 . . 63 . 7 PRO HD2 H 3.617219 . . 64 . 7 PRO HD3 H 3.829965 . . 65 . 7 PRO C C 176.194 . . 66 . 7 PRO CA C 66.498 . . 67 . 7 PRO CB C 32.76 . . 68 . 7 PRO CG C 27.906 . . 69 . 7 PRO CD C 50.19 . . 70 . 8 ALA H H 7.921 . . 71 . 8 ALA HA H 3.928651 . . 72 . 8 ALA HB H 1.610784 . . 73 . 8 ALA C C 178.375 . . 74 . 8 ALA CA C 56.49 . . 75 . 8 ALA CB C 18.962 . . 76 . 8 ALA N N 121.866 . . 77 . 9 PHE HD1 H 6.884125 . . 78 . 9 PHE HD2 H 6.884125 . . 79 . 9 PHE HE1 H 7.770356 . . 80 . 9 PHE HE2 H 7.770356 . . 81 . 9 PHE C C 175.047 . . 82 . 9 PHE CD1 C 133.93 . . 83 . 9 PHE CD2 C 133.93 . . 84 . 9 PHE CE1 C 133.93 . . 85 . 9 PHE CE2 C 133.93 . . 86 . 10 GLN H H 6.275 . . 87 . 10 GLN HA H 3.480757 . . 88 . 10 GLN HB2 H 2.023567 . . 89 . 10 GLN HB3 H 2.023567 . . 90 . 10 GLN HG2 H 2.019293 . . 91 . 10 GLN HG3 H 2.019293 . . 92 . 10 GLN HE21 H 6.874385 . . 93 . 10 GLN HE22 H 7.399172 . . 94 . 10 GLN C C 178.041 . . 95 . 10 GLN CA C 58.884 . . 96 . 10 GLN CB C 27.385 . . 97 . 10 GLN CG C 33.68642 . . 98 . 10 GLN N N 123.37 . . 99 . 10 GLN NE2 N 109.28 . . 100 . 11 ASN H H 7.706 . . 101 . 11 ASN HA H 4.324762 . . 102 . 11 ASN HB2 H 2.599853 . . 103 . 11 ASN HB3 H 2.750945 . . 104 . 11 ASN C C 176.19 . . 105 . 11 ASN CA C 56.732 . . 106 . 11 ASN CB C 38.8225 . . 107 . 11 ASN N N 117.794 . . 108 . 12 ALA H H 7.986 . . 109 . 12 ALA HA H 3.827595 . . 110 . 12 ALA HB H 1.776932 . . 111 . 12 ALA C C 178.723 . . 112 . 12 ALA CA C 55.565 . . 113 . 12 ALA CB C 18.8625 . . 114 . 12 ALA N N 119.807 . . 115 . 13 GLU H H 7.976 . . 116 . 13 GLU HA H 3.913054 . . 117 . 13 GLU C C 177.941 . . 118 . 13 GLU CA C 61.705 . . 119 . 13 GLU CB C 31.304 . . 120 . 13 GLU N N 114.991 . . 121 . 14 ARG H H 7.74 . . 122 . 14 ARG HA H 3.449456 . . 123 . 14 ARG C C 177.383 . . 124 . 14 ARG CA C 59.641 . . 125 . 14 ARG N N 116.63 . . 126 . 15 LEU H H 7.943 . . 127 . 15 LEU HA H 3.852453 . . 128 . 15 LEU HB2 H 1.029097 . . 129 . 15 LEU HB3 H 1.394467 . . 130 . 15 LEU HD1 H 0.7834212 . . 131 . 15 LEU HD2 H 0.7702662 . . 132 . 15 LEU C C 177.335 . . 133 . 15 LEU CA C 57.712 . . 134 . 15 LEU CB C 41.20 . . 135 . 15 LEU CD1 C 25.206 . . 136 . 15 LEU CD2 C 23.056 . . 137 . 15 LEU N N 118.221 . . 138 . 16 LEU H H 8.294793 . . 139 . 16 LEU HA H 4.04235 . . 140 . 16 LEU HB2 H 1.588833 . . 141 . 16 LEU HB3 H 2.226693 . . 142 . 16 LEU HG H 1.991036 . . 143 . 16 LEU HD1 H 0.8636099 . . 144 . 16 LEU HD2 H 1.010077 . . 145 . 16 LEU C C 179.034 . . 146 . 16 LEU CA C 58.502 . . 147 . 16 LEU CB C 42.503 . . 148 . 16 LEU CG C 26.46608 . . 149 . 16 LEU CD1 C 26.46608 . . 150 . 16 LEU CD2 C 23.95608 . . 151 . 16 LEU N N 118.58 . . 152 . 17 LEU H H 8.275 . . 153 . 17 LEU HA H 4.265402 . . 154 . 17 LEU HB2 H 1.86811 . . 155 . 17 LEU HB3 H 1.86811 . . 156 . 17 LEU HG H 1.613318 . . 157 . 17 LEU HD1 H 0.1462541 . . 158 . 17 LEU HD2 H 0.3949399 . . 159 . 17 LEU C C 178.876 . . 160 . 17 LEU CA C 58.469 . . 161 . 17 LEU CB C 42.820 . . 162 . 17 LEU CG C 27.006 . . 163 . 17 LEU CD1 C 25.206 . . 164 . 17 LEU CD2 C 23.416 . . 165 . 17 LEU N N 119.46 . . 166 . 18 ALA H H 8.365 . . 167 . 18 ALA HA H 3.830294 . . 168 . 18 ALA HB H 1.45379 . . 169 . 18 ALA C C 181.359 . . 170 . 18 ALA CA C 55.8405 . . 171 . 18 ALA CB C 18.8345 . . 172 . 18 ALA N N 121.107 . . 173 . 19 HIS H H 8.589 . . 174 . 19 HIS HA H 4.238986 . . 175 . 19 HIS HB2 H 3.049929 . . 176 . 19 HIS HB3 H 3.41431 . . 177 . 19 HIS C C 179.611 . . 178 . 19 HIS CA C 61.197 . . 179 . 19 HIS CB C 31.112 . . 180 . 19 HIS N N 117.18 . . 181 . 20 MET H H 9.142 . . 182 . 20 MET HA H 4.202978 . . 183 . 20 MET HG2 H 3.211114 . . 184 . 20 MET HG3 H 3.211114 . . 185 . 20 MET HE H 2.212279 . . 186 . 20 MET C C 177.785 . . 187 . 20 MET CA C 59.2725 . . 188 . 20 MET CG C 32.94 . . 189 . 20 MET CE C 16.93191 . . 190 . 20 MET N N 120.263 . . 191 . 21 MET H H 7.984 . . 192 . 21 MET HA H 3.898573 . . 193 . 21 MET HG2 H 3.003908 . . 194 . 21 MET HG3 H 3.003908 . . 195 . 21 MET HE H 1.994372 . . 196 . 21 MET C C 175.202 . . 197 . 21 MET CA C 59.07 . . 198 . 21 MET CB C 33.418 . . 199 . 21 MET CG C 32.76 . . 200 . 21 MET CE C 16.766 . . 201 . 21 MET N N 116.007 . . 202 . 22 ARG H H 7.144 . . 203 . 22 ARG HA H 4.473684 . . 204 . 22 ARG HB2 H 1.844129 . . 205 . 22 ARG HB3 H 2.127055 . . 206 . 22 ARG HD2 H 3.179117 . . 207 . 22 ARG HD3 H 3.237928 . . 208 . 22 ARG C C 175.923 . . 209 . 22 ARG CA C 56.3815 . . 210 . 22 ARG CB C 32.234 . . 211 . 22 ARG CD C 43.36 . . 212 . 22 ARG N N 113.549 . . 213 . 23 SER H H 7.63 . . 214 . 23 SER HA H 4.214417 . . 215 . 23 SER HB2 H 3.80182 . . 216 . 23 SER HB3 H 4.020144 . . 217 . 23 SER C C 173.29 . . 218 . 23 SER CA C 56.5025 . . 219 . 23 SER CB C 63.719 . . 220 . 23 SER N N 114.169 . . 221 . 24 ARG H H 8.875 . . 222 . 24 ARG HA H 2.871917 . . 223 . 24 ARG HB2 H 1.665919 . . 224 . 24 ARG HB3 H 1.665919 . . 225 . 24 ARG HG2 H 1.527229 . . 226 . 24 ARG HG3 H 1.527229 . . 227 . 24 ARG C C 177.127 . . 228 . 24 ARG CA C 59.015 . . 229 . 24 ARG CB C 30.7725 . . 230 . 24 ARG N N 131.6 . . 231 . 25 ASP H H 8 . . 232 . 25 ASP HA H 4.296156 . . 233 . 25 ASP HB2 H 2.457818 . . 234 . 25 ASP HB3 H 2.676858 . . 235 . 25 ASP C C 179.559 . . 236 . 25 ASP CA C 57.9095 . . 237 . 25 ASP CB C 40.4895 . . 238 . 25 ASP N N 116.854 . . 239 . 26 VAL H H 7.793 . . 240 . 26 VAL HA H 3.594447 . . 241 . 26 VAL HB H 2.049613 . . 242 . 26 VAL HG1 H 0.9326496 . . 243 . 26 VAL HG2 H 1.10348 . . 244 . 26 VAL C C 178.341 . . 245 . 26 VAL CA C 66.271 . . 246 . 26 VAL CB C 31.97 . . 247 . 26 VAL CG1 C 21.83064 . . 248 . 26 VAL CG2 C 22.88352 . . 249 . 26 VAL N N 119.249 . . 250 . 27 ALA H H 7.907 . . 251 . 27 ALA HA H 4.243582 . . 252 . 27 ALA HB H 1.73824 . . 253 . 27 ALA C C 179.085 . . 254 . 27 ALA CA C 56.9495 . . 255 . 27 ALA CB C 20.057 . . 256 . 27 ALA N N 120.823 . . 257 . 28 LEU H H 8.23 . . 258 . 28 LEU HA H 4.193088 . . 259 . 28 LEU HB2 H 1.623326 . . 260 . 28 LEU HB3 H 1.895301 . . 261 . 28 LEU HG H 1.861587 . . 262 . 28 LEU HD1 H 0.8817231 . . 263 . 28 LEU HD2 H 0.8968244 . . 264 . 28 LEU C C 180.581 . . 265 . 28 LEU CA C 58.223 . . 266 . 28 LEU CB C 40.927 . . 267 . 28 LEU CG C 27.17563 . . 268 . 28 LEU CD1 C 22.63596 . . 269 . 28 LEU CD2 C 25.10746 . . 270 . 28 LEU N N 117.404 . . 271 . 29 VAL H H 7.556 . . 272 . 29 VAL HA H 3.914 . . 273 . 29 VAL HB H 2.303163 . . 274 . 29 VAL HG1 H 0.9544232 . . 275 . 29 VAL HG2 H 1.119861 . . 276 . 29 VAL C C 178.518 . . 277 . 29 VAL CA C 66.5125 . . 278 . 29 VAL CB C 31.8385 . . 279 . 29 VAL CG1 C 21.22161 . . 280 . 29 VAL CG2 C 22.73759 . . 281 . 29 VAL N N 121.544 . . 282 . 30 VAL H H 8.677 . . 283 . 30 VAL HA H 3.452649 . . 284 . 30 VAL HB H 2.45454 . . 285 . 30 VAL HG1 H 1.589943 . . 286 . 30 VAL HG2 H 1.213312 . . 287 . 30 VAL C C 178.47 . . 288 . 30 VAL CA C 68.0995 . . 289 . 30 VAL CB C 32.193 . . 290 . 30 VAL CG1 C 22.68718 . . 291 . 30 VAL CG2 C 24.98319 . . 292 . 30 VAL N N 120.661 . . 293 . 31 GLN H H 9.187 . . 294 . 31 GLN HA H 4.231208 . . 295 . 31 GLN HB2 H 1.937699 . . 296 . 31 GLN HB3 H 1.937699 . . 297 . 31 GLN HG2 H 2.174619 . . 298 . 31 GLN HG3 H 2.174619 . . 299 . 31 GLN C C 176.939 . . 300 . 31 GLN CA C 60.1555 . . 301 . 31 GLN CB C 29.242 . . 302 . 31 GLN N N 123.069 . . 303 . 32 GLU H H 7.294 . . 304 . 32 GLU HA H 4.066493 . . 305 . 32 GLU HB2 H 2.169353 . . 306 . 32 GLU HB3 H 2.169353 . . 307 . 32 GLU HG2 H 2.228393 . . 308 . 32 GLU HG3 H 2.360006 . . 309 . 32 GLU C C 178.257 . . 310 . 32 GLU CA C 58.6915 . . 311 . 32 GLU CB C 30.2965 . . 312 . 32 GLU CG C 36.04736 . . 313 . 32 GLU N N 115.585 . . 314 . 33 ARG H H 8.457 . . 315 . 33 ARG HA H 4.26431 . . 316 . 33 ARG HB2 H 1.899843 . . 317 . 33 ARG HB3 H 1.899843 . . 318 . 33 ARG HG2 H 1.729216 . . 319 . 33 ARG HG3 H 1.729216 . . 320 . 33 ARG HD2 H 3.236374 . . 321 . 33 ARG HD3 H 3.236374 . . 322 . 33 ARG C C 176.877 . . 323 . 33 ARG CA C 57.0085 . . 324 . 33 ARG CB C 30.6125 . . 325 . 33 ARG CG C 27.52685 . . 326 . 33 ARG CD C 43.57298 . . 327 . 33 ARG N N 116.005 . . 328 . 34 ILE H H 8.99 . . 329 . 34 ILE HA H 4.048143 . . 330 . 34 ILE HB H 1.832891 . . 331 . 34 ILE HG12 H 1.425426 . . 332 . 34 ILE HG13 H 1.425426 . . 333 . 34 ILE HG2 H 0.0770036 . . 334 . 34 ILE HD1 H 0.7087921 . . 335 . 34 ILE C C 177.732 . . 336 . 34 ILE CA C 62.4305 . . 337 . 34 ILE CB C 39.99417 . . 338 . 34 ILE CG1 C 28.34348 . . 339 . 34 ILE CG2 C 17.70526 . . 340 . 34 ILE CD1 C 14.55169 . . 341 . 34 ILE N N 116.893 . . 342 . 35 GLY H H 8.522 . . 343 . 35 GLY HA2 H 3.867542 . . 344 . 35 GLY HA3 H 4.054796 . . 345 . 35 GLY C C 176.445 . . 346 . 35 GLY CA C 48.2065 . . 347 . 35 GLY N N 111.469 . . 348 . 36 GLY H H 9.309 . . 349 . 36 GLY HA2 H 3.946558 . . 350 . 36 GLY HA3 H 4.920874 . . 351 . 36 GLY CA C 45.834 . . 352 . 36 GLY N N 117.98 . . 353 . 40 ILE HG2 H 0.8187319 . . 354 . 40 ILE CG2 C 11.90608 . . 355 . 41 GLU C C 178.607 . . 356 . 41 GLU CA C 61.269 . . 357 . 41 GLU CB C 29.397 . . 358 . 42 GLU H H 9.884 . . 359 . 42 GLU HA H 4.182811 . . 360 . 42 GLU HB2 H 1.904365 . . 361 . 42 GLU HB3 H 1.969515 . . 362 . 42 GLU HG2 H 2.338143 . . 363 . 42 GLU HG3 H 2.338143 . . 364 . 42 GLU C C 177.943 . . 365 . 42 GLU CA C 60.334 . . 366 . 42 GLU CB C 28.469 . . 367 . 42 GLU CG C 36.69228 . . 368 . 42 GLU N N 119.161 . . 369 . 43 HIS H H 6.912 . . 370 . 43 HIS HA H 4.331936 . . 371 . 43 HIS HD2 H 6.385872 . . 372 . 43 HIS C C 176.682 . . 373 . 43 HIS CA C 56.3465 . . 374 . 43 HIS CB C 29.144 . . 375 . 43 HIS CD2 C 125.13568 . . 376 . 43 HIS N N 116.94 . . 377 . 44 ARG H H 8.006 . . 378 . 44 ARG HA H 3.9548 . . 379 . 44 ARG C C 179.113 . . 380 . 44 ARG CA C 60.216 . . 381 . 44 ARG CB C 30.792 . . 382 . 44 ARG N N 119.055 . . 383 . 45 ALA H H 8.091 . . 384 . 45 ALA HA H 4.207997 . . 385 . 45 ALA HB H 1.585152 . . 386 . 45 ALA C C 179.762 . . 387 . 45 ALA CA C 54.95 . . 388 . 45 ALA CB C 18.609 . . 389 . 45 ALA N N 121.364 . . 390 . 46 LEU H H 8.08 . . 391 . 46 LEU HA H 4.184247 . . 392 . 46 LEU HB2 H 1.694912 . . 393 . 46 LEU HB3 H 1.911557 . . 394 . 46 LEU HG H 1.610143 . . 395 . 46 LEU HD1 H 0.8194243 . . 396 . 46 LEU C C 178.416 . . 397 . 46 LEU CA C 58.2585 . . 398 . 46 LEU CB C 41.6255 . . 399 . 46 LEU CG C 27.1291 . . 400 . 46 LEU CD1 C 26.46608 . . 401 . 46 LEU N N 117.505 . . 402 . 47 ALA H H 8.432 . . 403 . 47 ALA HA H 3.264711 . . 404 . 47 ALA HB H 1.004075 . . 405 . 47 ALA C C 176.935 . . 406 . 47 ALA CA C 55.672 . . 407 . 47 ALA CB C 17.7555 . . 408 . 47 ALA N N 120.098 . . 409 . 48 ALA H H 7.313 . . 410 . 48 ALA HA H 4.052405 . . 411 . 48 ALA HB H 1.444273 . . 412 . 48 ALA C C 181.858 . . 413 . 48 ALA CA C 55.672 . . 414 . 48 ALA CB C 17.8035 . . 415 . 48 ALA N N 115.576 . . 416 . 49 TYR H H 7.525 . . 417 . 49 TYR HA H 4.170281 . . 418 . 49 TYR HB2 H 2.900934 . . 419 . 49 TYR HB3 H 3.002586 . . 420 . 49 TYR HD1 H 7.274617 . . 421 . 49 TYR HD2 H 7.274617 . . 422 . 49 TYR HE1 H 6.797715 . . 423 . 49 TYR HE2 H 6.797715 . . 424 . 49 TYR C C 177.613 . . 425 . 49 TYR CA C 61.0295 . . 426 . 49 TYR CB C 38.639 . . 427 . 49 TYR CD1 C 133.46 . . 428 . 49 TYR CD2 C 133.46 . . 429 . 49 TYR CE1 C 118.36 . . 430 . 49 TYR CE2 C 118.36 . . 431 . 49 TYR N N 116.93 . . 432 . 50 ILE H H 7.592 . . 433 . 50 ILE C C 178.728 . . 434 . 50 ILE CA C 60.7695 . . 435 . 50 ILE CB C 38.2805 . . 436 . 50 ILE N N 120.607 . . 437 . 51 TYR H H 8.473 . . 438 . 51 TYR HA H 4.318947 . . 439 . 51 TYR HB2 H 1.699487 . . 440 . 51 TYR HB3 H 1.925073 . . 441 . 51 TYR C C 179.911 . . 442 . 51 TYR CA C 58.338 . . 443 . 51 TYR CB C 41.403 . . 444 . 51 TYR N N 123.071 . . 445 . 52 ALA H H 7.784 . . 446 . 52 ALA HA H 4.101512 . . 447 . 52 ALA HB H 1.599897 . . 448 . 52 ALA C C 179.224 . . 449 . 52 ALA CA C 55.247 . . 450 . 52 ALA CB C 18.413 . . 451 . 52 ALA N N 120.031 . . 452 . 53 PHE H H 7.924 . . 453 . 53 PHE HA H 4.225995 . . 454 . 53 PHE HB2 H 3.005208 . . 455 . 53 PHE HB3 H 3.108203 . . 456 . 53 PHE HD1 H 6.309397 . . 457 . 53 PHE HD2 H 6.309397 . . 458 . 53 PHE HE1 H 6.85983 . . 459 . 53 PHE HE2 H 6.85983 . . 460 . 53 PHE C C 178.077 . . 461 . 53 PHE CA C 61.598 . . 462 . 53 PHE CB C 39.7095 . . 463 . 53 PHE CD1 C 131.24 . . 464 . 53 PHE CD2 C 131.24 . . 465 . 53 PHE CE1 C 131.24 . . 466 . 53 PHE CE2 C 131.24 . . 467 . 53 PHE N N 120.24 . . 468 . 54 TYR H H 7.928 . . 469 . 54 TYR HA H 4.668138 . . 470 . 54 TYR HB2 H 3.099436 . . 471 . 54 TYR HB3 H 3.237274 . . 472 . 54 TYR HD1 H 7.433425 . . 473 . 54 TYR HD2 H 7.433425 . . 474 . 54 TYR HE1 H 6.771269 . . 475 . 54 TYR HE2 H 6.771269 . . 476 . 54 TYR C C 180.948 . . 477 . 54 TYR CA C 61.0775 . . 478 . 54 TYR CB C 37.2905 . . 479 . 54 TYR CD1 C 133.39 . . 480 . 54 TYR CD2 C 133.39 . . 481 . 54 TYR CE1 C 117.58 . . 482 . 54 TYR CE2 C 117.58 . . 483 . 54 TYR N N 115.905 . . 484 . 55 GLU H H 8.827 . . 485 . 55 GLU HA H 4.19391 . . 486 . 55 GLU HB2 H 2.226442 . . 487 . 55 GLU HB3 H 2.358621 . . 488 . 55 GLU HG2 H 2.402051 . . 489 . 55 GLU HG3 H 2.521013 . . 490 . 55 GLU C C 178.159 . . 491 . 55 GLU CA C 59.521 . . 492 . 55 GLU CB C 29.2365 . . 493 . 55 GLU CG C 36.49771 . . 494 . 55 GLU N N 125.528 . . 495 . 56 GLU H H 7.498 . . 496 . 56 GLU HA H 4.166359 . . 497 . 56 GLU HB2 H 2.098731 . . 498 . 56 GLU HB3 H 2.098731 . . 499 . 56 GLU HG2 H 2.382548 . . 500 . 56 GLU HG3 H 2.660732 . . 501 . 56 GLU C C 177.122 . . 502 . 56 GLU CA C 57.2045 . . 503 . 56 GLU CB C 30.4445 . . 504 . 56 GLU CG C 36.81809 . . 505 . 56 GLU N N 116.297 . . 506 . 57 GLY H H 7.793 . . 507 . 57 GLY HA2 H 3.685148 . . 508 . 57 GLY HA3 H 4.187457 . . 509 . 57 GLY C C 174.096 . . 510 . 57 GLY CA C 45.012 . . 511 . 57 GLY N N 104.607 . . 512 . 58 HIS H H 6.489 . . 513 . 58 HIS HA H 4.370822 . . 514 . 58 HIS HB2 H 2.864748 . . 515 . 58 HIS HB3 H 2.864748 . . 516 . 58 HIS HD2 H 6.892434 . . 517 . 58 HIS C C 175.749 . . 518 . 58 HIS CA C 56.432 . . 519 . 58 HIS CB C 30.4175 . . 520 . 58 HIS CD2 C 121.26176 . . 521 . 58 HIS N N 117 . . 522 . 59 GLU H H 8.313 . . 523 . 59 GLU HA H 4.600245 . . 524 . 59 GLU HB2 H 2.037115 . . 525 . 59 GLU HB3 H 2.358873 . . 526 . 59 GLU HG2 H 2.455741 . . 527 . 59 GLU HG3 H 2.537315 . . 528 . 59 GLU C C 176.268 . . 529 . 59 GLU CA C 55.64 . . 530 . 59 GLU CB C 30.6335 . . 531 . 59 GLU CG C 36.50049 . . 532 . 59 GLU N N 119.715 . . 533 . 60 ALA H H 8.938 . . 534 . 60 ALA HA H 4.530781 . . 535 . 60 ALA HB H 1.51962 . . 536 . 60 ALA C C 178.707 . . 537 . 60 ALA CA C 54.7075 . . 538 . 60 ALA CB C 19.3825 . . 539 . 60 ALA N N 121.671 . . 540 . 61 ASP H H 8.644 . . 541 . 61 ASP HA H 4.826639 . . 542 . 61 ASP HB2 H 3.006614 . . 543 . 61 ASP HB3 H 3.051933 . . 544 . 61 ASP C C 178.684 . . 545 . 61 ASP CA C 52.738 . . 546 . 61 ASP CB C 40.373 . . 547 . 61 ASP N N 119.769 . . 548 . 62 PRO C C 177.501 . . 549 . 62 PRO CA C 65.687 . . 550 . 62 PRO CB C 31.736 . . 551 . 63 GLY H H 8.301 . . 552 . 63 GLY HA2 H 3.723543 . . 553 . 63 GLY HA3 H 3.870724 . . 554 . 63 GLY C C 176.552 . . 555 . 63 GLY CA C 47.176 . . 556 . 63 GLY N N 103.188 . . 557 . 64 ALA H H 7.542 . . 558 . 64 ALA HA H 4.134114 . . 559 . 64 ALA HB H 1.52974 . . 560 . 64 ALA C C 180.441 . . 561 . 64 ALA CA C 54.1865 . . 562 . 64 ALA CB C 18.585 . . 563 . 64 ALA N N 125.561 . . 564 . 65 LEU H H 7.815 . . 565 . 65 LEU HA H 3.215776 . . 566 . 65 LEU HB2 H 1.485088 . . 567 . 65 LEU HB3 H 1.485088 . . 568 . 65 LEU HG H 1.014037 . . 569 . 65 LEU HD1 H 0.3306199 . . 570 . 65 LEU HD2 H 0.5624923 . . 571 . 65 LEU C C 178.786 . . 572 . 65 LEU CA C 58.2745 . . 573 . 65 LEU CB C 40.7495 . . 574 . 65 LEU CG C 27.14671 . . 575 . 65 LEU CD1 C 23.65646 . . 576 . 65 LEU CD2 C 26.05127 . . 577 . 65 LEU N N 120.815 . . 578 . 66 ILE H H 8.407 . . 579 . 66 ILE HA H 3.311445 . . 580 . 66 ILE HB H 1.782634 . . 581 . 66 ILE HG12 H 1.7156 . . 582 . 66 ILE HG13 H 1.7156 . . 583 . 66 ILE HG2 H 0.8083464 . . 584 . 66 ILE HD1 H 0.7236258 . . 585 . 66 ILE C C 177.37 . . 586 . 66 ILE CA C 65.52 . . 587 . 66 ILE CB C 37.745 . . 588 . 66 ILE CG1 C 31.13 . . 589 . 66 ILE CG2 C 17.48608 . . 590 . 66 ILE CD1 C 13.16600 . . 591 . 66 ILE N N 117.64 . . 592 . 67 SER H H 7.276 . . 593 . 67 SER HA H 4.196358 . . 594 . 67 SER HB2 H 3.966938 . . 595 . 67 SER HB3 H 3.966938 . . 596 . 67 SER C C 175.072 . . 597 . 67 SER CA C 60.9235 . . 598 . 67 SER CB C 63.3535 . . 599 . 67 SER N N 112.131 . . 600 . 68 ARG H H 7.488 . . 601 . 68 ARG HA H 4.417844 . . 602 . 68 ARG HB2 H 1.890536 . . 603 . 68 ARG HB3 H 2.148846 . . 604 . 68 ARG HG2 H 1.721178 . . 605 . 68 ARG HG3 H 1.835642 . . 606 . 68 ARG HD2 H 3.210737 . . 607 . 68 ARG HD3 H 3.318177 . . 608 . 68 ARG C C 176.062 . . 609 . 68 ARG CA C 56.0005 . . 610 . 68 ARG CB C 31.568 . . 611 . 68 ARG CG C 26.8883 . . 612 . 68 ARG CD C 44.11306 . . 613 . 68 ARG N N 119.02 . . 614 . 69 ILE H H 7.109 . . 615 . 69 ILE HA H 3.839 . . 616 . 69 ILE HB H 1.629401 . . 617 . 69 ILE HG12 H 1.214433 . . 618 . 69 ILE HG13 H 1.286763 . . 619 . 69 ILE HG2 H 0.6441428 . . 620 . 69 ILE HD1 H 0.4382817 . . 621 . 69 ILE C C 173.095 . . 622 . 69 ILE CA C 58.83 . . 623 . 69 ILE CB C 37.539 . . 624 . 69 ILE CG1 C 26.25037 . . 625 . 69 ILE CG2 C 17.18011 . . 626 . 69 ILE CD1 C 14.01799 . . 627 . 69 ILE N N 119.336 . . 628 . 70 PRO HA H 4.328206 . . 629 . 70 PRO HB2 H 1.933444 . . 630 . 70 PRO HB3 H 2.020116 . . 631 . 70 PRO HD2 H 2.786658 . . 632 . 70 PRO HD3 H 3.099221 . . 633 . 70 PRO C C 178.01 . . 634 . 70 PRO CA C 63.182 . . 635 . 70 PRO CB C 32.691 . . 636 . 70 PRO CD C 50.9122 . . 637 . 71 GLY H H 8.78 . . 638 . 71 GLY HA2 H 3.695043 . . 639 . 71 GLY HA3 H 4.029379 . . 640 . 71 GLY C C 176.657 . . 641 . 71 GLY CA C 48.1575 . . 642 . 71 GLY N N 109.574 . . 643 . 72 GLU H H 9.406 . . 644 . 72 GLU HA H 4.193596 . . 645 . 72 GLU HB2 H 2.071197 . . 646 . 72 GLU HB3 H 2.071197 . . 647 . 72 GLU HG2 H 2.315694 . . 648 . 72 GLU HG3 H 2.3663 . . 649 . 72 GLU C C 177.748 . . 650 . 72 GLU CA C 59.259 . . 651 . 72 GLU CB C 28.658 . . 652 . 72 GLU CG C 36.1545 . . 653 . 72 GLU N N 118.633 . . 654 . 73 LEU H H 7.775 . . 655 . 73 LEU HA H 4.683 . . 656 . 73 LEU HB2 H 1.512737 . . 657 . 73 LEU HB3 H 1.57859 . . 658 . 73 LEU HG H 0.941255 . . 659 . 73 LEU HD1 H 0.99111 . . 660 . 73 LEU HD2 H 0.9525478 . . 661 . 73 LEU C C 176.042 . . 662 . 73 LEU CA C 54.2495 . . 663 . 73 LEU CB C 44.72 . . 664 . 73 LEU CD1 C 23.42978 . . 665 . 73 LEU CD2 C 26.2184 . . 666 . 73 LEU N N 118.351 . . 667 . 74 GLN H H 7.485 . . 668 . 74 GLN HA H 3.863595 . . 669 . 74 GLN HB2 H 2.03252 . . 670 . 74 GLN HB3 H 2.224412 . . 671 . 74 GLN HG2 H 2.241673 . . 672 . 74 GLN HG3 H 2.60674 . . 673 . 74 GLN HE21 H 6.777941 . . 674 . 74 GLN HE22 H 7.463197 . . 675 . 74 GLN C C 175.269 . . 676 . 74 GLN CA C 61.441 . . 677 . 74 GLN CB C 25.622 . . 678 . 74 GLN CG C 34.91 . . 679 . 74 GLN N N 120.054 . . 680 . 74 GLN NE2 N 112.38 . . 681 . 75 PRO C C 179.592 . . 682 . 75 PRO CA C 66.902 . . 683 . 75 PRO CB C 30.645 . . 684 . 76 LEU H H 7.644 . . 685 . 76 LEU HA H 4.252711 . . 686 . 76 LEU HD1 H 0.9813125 . . 687 . 76 LEU C C 177.815 . . 688 . 76 LEU CA C 57.781 . . 689 . 76 LEU CB C 41.176 . . 690 . 76 LEU CD1 C 27.00608 . . 691 . 76 LEU N N 120.05 . . 692 . 77 ALA H H 8.104 . . 693 . 77 ALA HA H 3.785993 . . 694 . 77 ALA HB H 1.308091 . . 695 . 77 ALA C C 179.45 . . 696 . 77 ALA CA C 55.65 . . 697 . 77 ALA CB C 19.3045 . . 698 . 77 ALA N N 119.518 . . 699 . 78 SER H H 8.856 . . 700 . 78 SER HA H 4.242041 . . 701 . 78 SER HB2 H 3.884348 . . 702 . 78 SER HB3 H 3.957865 . . 703 . 78 SER C C 178.29 . . 704 . 78 SER CA C 61.94 . . 705 . 78 SER CB C 62.593 . . 706 . 78 SER N N 112.967 . . 707 . 79 GLU H H 8.05 . . 708 . 79 GLU HA H 3.946253 . . 709 . 79 GLU HB2 H 2.050643 . . 710 . 79 GLU HB3 H 2.221343 . . 711 . 79 GLU HG2 H 2.050643 . . 712 . 79 GLU HG3 H 2.050643 . . 713 . 79 GLU C C 180.03 . . 714 . 79 GLU CA C 59.8325 . . 715 . 79 GLU CB C 29.5415 . . 716 . 79 GLU CG C 36.41204 . . 717 . 79 GLU N N 123.181 . . 718 . 80 LEU H H 8.388 . . 719 . 80 LEU HA H 3.991851 . . 720 . 80 LEU HG H 1.987701 . . 721 . 80 LEU HD1 H 0.6708798 . . 722 . 80 LEU HD2 H 0.7590624 . . 723 . 80 LEU C C 179.386 . . 724 . 80 LEU CA C 57.4095 . . 725 . 80 LEU CB C 41.0665 . . 726 . 80 LEU CG C 26.10608 . . 727 . 80 LEU CD1 C 27.186 . . 728 . 80 LEU CD2 C 21.976 . . 729 . 80 LEU N N 118.14 . . 730 . 81 SER H H 8.137 . . 731 . 81 SER HA H 4.268481 . . 732 . 81 SER HB2 H 3.914762 . . 733 . 81 SER HB3 H 3.999429 . . 734 . 81 SER C C 174.633 . . 735 . 81 SER CA C 61.186 . . 736 . 81 SER CB C 62.811 . . 737 . 81 SER N N 114.743 . . 738 . 82 LEU H H 7.116 . . 739 . 82 LEU HA H 4.396274 . . 740 . 82 LEU HB2 H 1.758086 . . 741 . 82 LEU HB3 H 1.599632 . . 742 . 82 LEU HG H 1.758086 . . 743 . 82 LEU HD1 H 0.8661081 . . 744 . 82 LEU HD2 H 0.9281109 . . 745 . 82 LEU C C 177.808 . . 746 . 82 LEU CA C 54.755 . . 747 . 82 LEU CB C 42.792 . . 748 . 82 LEU CG C 26.93996 . . 749 . 82 LEU CD1 C 23.77865 . . 750 . 82 LEU CD2 C 24.96636 . . 751 . 82 LEU N N 120.524 . . 752 . 83 LEU H H 7.107 . . 753 . 83 LEU HA H 4.079132 . . 754 . 83 LEU HB2 H 1.373025 . . 755 . 83 LEU HB3 H 1.641139 . . 756 . 83 LEU HG H 1.877236 . . 757 . 83 LEU HD1 H 0.7970167 . . 758 . 83 LEU HD2 H 0.8355377 . . 759 . 83 LEU C C 176.971 . . 760 . 83 LEU CA C 56.1425 . . 761 . 83 LEU CB C 42.5935 . . 762 . 83 LEU CG C 26.46608 . . 763 . 83 LEU CD1 C 23.416 . . 764 . 83 LEU CD2 C 25.20608 . . 765 . 83 LEU N N 120.703 . . 766 . 84 LEU H H 8.18 . . 767 . 84 LEU HA H 4.414 . . 768 . 84 LEU HB2 H 1.576434 . . 769 . 84 LEU HB3 H 1.638495 . . 770 . 84 LEU HD1 H 0.8334604 . . 771 . 84 LEU HD2 H 0.8334604 . . 772 . 84 LEU C C 176.226 . . 773 . 84 LEU CA C 55.0145 . . 774 . 84 LEU CB C 40.5905 . . 775 . 84 LEU CG C 26.94758 . . 776 . 84 LEU CD1 C 23.77608 . . 777 . 84 LEU CD2 C 24.49 . . 778 . 84 LEU N N 123.595 . . 779 . 85 ILE H H 7.855 . . 780 . 85 ILE HA H 4.455631 . . 781 . 85 ILE HB H 1.735362 . . 782 . 85 ILE HG12 H 0.8981816 . . 783 . 85 ILE HG13 H 1.185057 . . 784 . 85 ILE HG2 H 0.6799814 . . 785 . 85 ILE HD1 H 0.252754 . . 786 . 85 ILE C C 175.311 . . 787 . 85 ILE CA C 59.9255 . . 788 . 85 ILE CB C 40.449 . . 789 . 85 ILE CG1 C 25.04279 . . 790 . 85 ILE CG2 C 18.39605 . . 791 . 85 ILE CD1 C 12.78071 . . 792 . 85 ILE N N 120.528 . . 793 . 86 ALA H H 8.425 . . 794 . 86 ALA HA H 4.436972 . . 795 . 86 ALA HB H 1.574257 . . 796 . 86 ALA C C 176.992 . . 797 . 86 ALA CA C 52.1415 . . 798 . 86 ALA CB C 20.1655 . . 799 . 86 ALA N N 125.129 . . 800 . 87 ASP H H 8.305 . . 801 . 87 ASP HA H 4.594509 . . 802 . 87 ASP HB2 H 2.65969 . . 803 . 87 ASP HB3 H 2.776567 . . 804 . 87 ASP C C 176.036 . . 805 . 87 ASP CA C 55.5665 . . 806 . 87 ASP CB C 41.579 . . 807 . 87 ASP N N 118.32 . . 808 . 88 ASP H H 8.082 . . 809 . 88 ASP HA H 4.803518 . . 810 . 88 ASP HB2 H 2.637045 . . 811 . 88 ASP HB3 H 2.652751 . . 812 . 88 ASP C C 174.974 . . 813 . 88 ASP CA C 53.38 . . 814 . 88 ASP CB C 41.802 . . 815 . 88 ASP N N 117.819 . . 816 . 89 VAL H H 8.03 . . 817 . 89 VAL HA H 4.27133 . . 818 . 89 VAL HB H 1.674579 . . 819 . 89 VAL HG1 H 0.6666865 . . 820 . 89 VAL HG2 H 0.7903417 . . 821 . 89 VAL C C 174.219 . . 822 . 89 VAL CA C 60.7935 . . 823 . 89 VAL CB C 33.3315 . . 824 . 89 VAL CG1 C 20.13884 . . 825 . 89 VAL CG2 C 21.40097 . . 826 . 89 VAL N N 120.794 . . 827 . 90 SER H H 8.702 . . 828 . 90 SER HA H 4.575263 . . 829 . 90 SER HB2 H 4.048746 . . 830 . 90 SER HB3 H 4.367572 . . 831 . 90 SER C C 174.736 . . 832 . 90 SER CA C 57.532 . . 833 . 90 SER CB C 65.439 . . 834 . 90 SER N N 123.806 . . 835 . 91 GLU H H 8.974 . . 836 . 91 GLU HA H 3.943336 . . 837 . 91 GLU HB2 H 2.066756 . . 838 . 91 GLU HB3 H 2.106033 . . 839 . 91 GLU HG2 H 2.306826 . . 840 . 91 GLU HG3 H 2.400594 . . 841 . 91 GLU C C 178.71 . . 842 . 91 GLU CA C 60.1905 . . 843 . 91 GLU CB C 29.5025 . . 844 . 91 GLU CG C 36.5593 . . 845 . 91 GLU N N 121.748 . . 846 . 92 GLN H H 8.368 . . 847 . 92 GLN HA H 3.98166 . . 848 . 92 GLN HB2 H 1.960077 . . 849 . 92 GLN HB3 H 2.104148 . . 850 . 92 GLN HG2 H 2.406583 . . 851 . 92 GLN HG3 H 2.432767 . . 852 . 92 GLN HE21 H 6.886482 . . 853 . 92 GLN HE22 H 7.645037 . . 854 . 92 GLN C C 178.077 . . 855 . 92 GLN CA C 59.0215 . . 856 . 92 GLN CB C 28.34 . . 857 . 92 GLN CG C 34.18982 . . 858 . 92 GLN N N 117.564 . . 859 . 92 GLN NE2 N 113.50 . . 860 . 93 GLU H H 7.641 . . 861 . 93 GLU HA H 3.806454 . . 862 . 93 GLU HB2 H 2.166543 . . 863 . 93 GLU HB3 H 2.166543 . . 864 . 93 GLU HG2 H 2.15507 . . 865 . 93 GLU HG3 H 2.15507 . . 866 . 93 GLU C C 177.75 . . 867 . 93 GLU CA C 58.961 . . 868 . 93 GLU CB C 29.8115 . . 869 . 93 GLU CG C 37.19031 . . 870 . 93 GLU N N 120.618 . . 871 . 94 LEU H H 7.936 . . 872 . 94 LEU HA H 3.890394 . . 873 . 94 LEU HB2 H 1.674906 . . 874 . 94 LEU HB3 H 1.674906 . . 875 . 94 LEU HG H 1.661422 . . 876 . 94 LEU HD1 H 0.8250204 . . 877 . 94 LEU HD2 H 0.8070778 . . 878 . 94 LEU C C 178.699 . . 879 . 94 LEU CA C 58.461 . . 880 . 94 LEU CB C 41.759 . . 881 . 94 LEU CG C 26.67622 . . 882 . 94 LEU CD1 C 23.83353 . . 883 . 94 LEU CD2 C 24.48608 . . 884 . 94 LEU N N 117.65 . . 885 . 95 GLU H H 8.056 . . 886 . 95 GLU HA H 3.903115 . . 887 . 95 GLU HB2 H 2.053287 . . 888 . 95 GLU HB3 H 2.140903 . . 889 . 95 GLU HG2 H 2.329604 . . 890 . 95 GLU HG3 H 2.388141 . . 891 . 95 GLU C C 178.88 . . 892 . 95 GLU CA C 59.342 . . 893 . 95 GLU CB C 29 . . 894 . 95 GLU CG C 35.630 . . 895 . 95 GLU N N 116.875 . . 896 . 96 ASP H H 7.798 . . 897 . 96 ASP HA H 4.392841 . . 898 . 96 ASP HB2 H 2.590086 . . 899 . 96 ASP HB3 H 2.71625 . . 900 . 96 ASP C C 178.929 . . 901 . 96 ASP CA C 57.5765 . . 902 . 96 ASP CB C 40.491 . . 903 . 96 ASP N N 120.034 . . 904 . 97 TYR H H 8.02 . . 905 . 97 TYR HA H 4.702325 . . 906 . 97 TYR HB2 H 3.063892 . . 907 . 97 TYR HB3 H 3.338933 . . 908 . 97 TYR HD1 H 7.032607 . . 909 . 97 TYR HD2 H 7.032607 . . 910 . 97 TYR HE1 H 6.77492 . . 911 . 97 TYR HE2 H 6.77492 . . 912 . 97 TYR C C 178.458 . . 913 . 97 TYR CA C 59.318 . . 914 . 97 TYR CB C 37.2105 . . 915 . 97 TYR CD1 C 131.06 . . 916 . 97 TYR CD2 C 131.06 . . 917 . 97 TYR CE1 C 118.48 . . 918 . 97 TYR CE2 C 118.48 . . 919 . 97 TYR N N 118.431 . . 920 . 98 ILE H H 8.608 . . 921 . 98 ILE HA H 3.523443 . . 922 . 98 ILE HB H 1.9831 . . 923 . 98 ILE HG2 H 0.8316135 . . 924 . 98 ILE HD1 H 0.7359899 . . 925 . 98 ILE C C 177.53 . . 926 . 98 ILE CA C 66.309 . . 927 . 98 ILE CB C 38.14513 . . 928 . 98 ILE CG2 C 17.02322 . . 929 . 98 ILE CD1 C 13.76666 . . 930 . 98 ILE N N 118.72 . . 931 . 99 ARG H H 8.354 . . 932 . 99 ARG HA H 3.959033 . . 933 . 99 ARG HB2 H 2.033682 . . 934 . 99 ARG HB3 H 2.033682 . . 935 . 99 ARG HD2 H 3.242377 . . 936 . 99 ARG HD3 H 3.242377 . . 937 . 99 ARG C C 178.721 . . 938 . 99 ARG CA C 60.1185 . . 939 . 99 ARG CB C 29.9905 . . 940 . 99 ARG CD C 43.58943 . . 941 . 99 ARG N N 119.388 . . 942 . 100 HIS H H 7.835 . . 943 . 100 HIS HA H 4.549299 . . 944 . 100 HIS HB2 H 2.990963 . . 945 . 100 HIS HB3 H 3.474967 . . 946 . 100 HIS HD2 H 7.120412 . . 947 . 100 HIS C C 179.11 . . 948 . 100 HIS CA C 60.204 . . 949 . 100 HIS CB C 31.5545 . . 950 . 100 HIS CD2 C 119.74 . . 951 . 100 HIS N N 116.305 . . 952 . 101 VAL H H 7.887 . . 953 . 101 VAL HA H 3.694432 . . 954 . 101 VAL HB H 2.253248 . . 955 . 101 VAL HG1 H 0.9348881 . . 956 . 101 VAL HG2 H 1.31969 . . 957 . 101 VAL C C 181.309 . . 958 . 101 VAL CA C 67.73 . . 959 . 101 VAL CB C 32.095 . . 960 . 101 VAL CG1 C 21.76387 . . 961 . 101 VAL CG2 C 24.16468 . . 962 . 101 VAL N N 118.435 . . 963 . 102 LEU H H 8.505 . . 964 . 102 LEU HA H 4.33129 . . 965 . 102 LEU HG H 1.771052 . . 966 . 102 LEU HD1 H 0.8795345 . . 967 . 102 LEU HD2 H 1.040919 . . 968 . 102 LEU CG C 27.18608 . . 969 . 102 LEU CD1 C 25.926 . . 970 . 102 LEU CD2 C 24.66608 . . 971 . 102 LEU N N 117.128 . . 972 . 106 LYS C C 178.767 . . 973 . 107 TRP H H 8.181 . . 974 . 107 TRP HA H 4.424797 . . 975 . 107 TRP HB2 H 3.418636 . . 976 . 107 TRP HB3 H 3.477046 . . 977 . 107 TRP HD1 H 7.307136 . . 978 . 107 TRP HE1 H 10.44449 . . 979 . 107 TRP HE3 H 7.727681 . . 980 . 107 TRP HZ2 H 7.542607 . . 981 . 107 TRP HZ3 H 7.160811 . . 982 . 107 TRP HH2 H 7.253505 . . 983 . 107 TRP C C 179.966 . . 984 . 107 TRP CA C 60.61 . . 985 . 107 TRP CB C 35.81 . . 986 . 107 TRP CD1 C 127.71 . . 987 . 107 TRP CE3 C 121.00 . . 988 . 107 TRP CZ2 C 115.13 . . 989 . 107 TRP CZ3 C 122.08 . . 990 . 107 TRP CH2 C 124.83 . . 991 . 107 TRP N N 120.795 . . 992 . 107 TRP NE1 N 128.9946 . . 993 . 108 LEU H H 8.097 . . 994 . 108 LEU HA H 4.154226 . . 995 . 108 LEU HD1 H 0.922713 . . 996 . 108 LEU HD2 H 0.922713 . . 997 . 108 LEU C C 179.79 . . 998 . 108 LEU CA C 57.67 . . 999 . 108 LEU CB C 41.391 . . 1000 . 108 LEU CD1 C 22.696 . . 1001 . 108 LEU CD2 C 24.48608 . . 1002 . 108 LEU N N 119.099 . . 1003 . 109 MET H H 7.847 . . 1004 . 109 MET HA H 4.334819 . . 1005 . 109 MET HB2 H 2.144868 . . 1006 . 109 MET HB3 H 2.305372 . . 1007 . 109 MET HG2 H 2.667102 . . 1008 . 109 MET HG3 H 2.741123 . . 1009 . 109 MET HE H 2.126363 . . 1010 . 109 MET C C 178.678 . . 1011 . 109 MET CA C 58.0975 . . 1012 . 109 MET CB C 32.208 . . 1013 . 109 MET CG C 32.216 . . 1014 . 109 MET CE C 16.946 . . 1015 . 109 MET N N 119.053 . . 1016 . 110 LEU H H 7.989 . . 1017 . 110 LEU HA H 4.041884 . . 1018 . 110 LEU HB2 H 1.790565 . . 1019 . 110 LEU HB3 H 1.914563 . . 1020 . 110 LEU HG H 1.761996 . . 1021 . 110 LEU HD1 H 0.8995501 . . 1022 . 110 LEU HD2 H 0.9760883 . . 1023 . 110 LEU C C 178.509 . . 1024 . 110 LEU CA C 58.5945 . . 1025 . 110 LEU CB C 41.78 . . 1026 . 110 LEU CG C 27.27735 . . 1027 . 110 LEU CD1 C 25.38608 . . 1028 . 110 LEU CD2 C 25.92608 . . 1029 . 110 LEU N N 121.459 . . 1030 . 111 LYS H H 7.62 . . 1031 . 111 LYS HA H 4.195272 . . 1032 . 111 LYS HB2 H 2.047841 . . 1033 . 111 LYS HB3 H 2.047841 . . 1034 . 111 LYS HG2 H 1.49031 . . 1035 . 111 LYS HG3 H 1.56449 . . 1036 . 111 LYS HD2 H 1.729267 . . 1037 . 111 LYS HD3 H 1.729267 . . 1038 . 111 LYS HE2 H 3.0128 . . 1039 . 111 LYS HE3 H 3.0128 . . 1040 . 111 LYS C C 179.668 . . 1041 . 111 LYS CA C 58.7315 . . 1042 . 111 LYS CB C 31.7725 . . 1043 . 111 LYS CG C 25.05777 . . 1044 . 111 LYS CD C 28.76603 . . 1045 . 111 LYS CE C 42.28841 . . 1046 . 111 LYS N N 118.746 . . 1047 . 112 VAL H H 7.718 . . 1048 . 112 VAL HA H 3.819714 . . 1049 . 112 VAL HB H 2.336739 . . 1050 . 112 VAL HG1 H 1.004889 . . 1051 . 112 VAL HG2 H 1.156077 . . 1052 . 112 VAL C C 179.124 . . 1053 . 112 VAL CA C 66.6735 . . 1054 . 112 VAL CB C 31.731 . . 1055 . 112 VAL CG1 C 21.34929 . . 1056 . 112 VAL CG2 C 22.67476 . . 1057 . 112 VAL N N 121.185 . . 1058 . 113 LYS H H 8.191 . . 1059 . 113 LYS HA H 4.195272 . . 1060 . 113 LYS HB2 H 2.048662 . . 1061 . 113 LYS HB3 H 2.048662 . . 1062 . 113 LYS HG2 H 1.440035 . . 1063 . 113 LYS HG3 H 1.440035 . . 1064 . 113 LYS HD2 H 1.716133 . . 1065 . 113 LYS HD3 H 1.716133 . . 1066 . 113 LYS HE2 H 3.01239 . . 1067 . 113 LYS HE3 H 3.01239 . . 1068 . 113 LYS C C 178.005 . . 1069 . 113 LYS CA C 58.6645 . . 1070 . 113 LYS CB C 31.9285 . . 1071 . 113 LYS CG C 24.99287 . . 1072 . 113 LYS CD C 28.80023 . . 1073 . 113 LYS CE C 42.2963 . . 1074 . 113 LYS N N 120.101 . . 1075 . 114 GLU H H 8.418 . . 1076 . 114 GLU HA H 3.947 . . 1077 . 114 GLU HB2 H 2.249736 . . 1078 . 114 GLU HB3 H 2.249736 . . 1079 . 114 GLU HG2 H 2.303105 . . 1080 . 114 GLU HG3 H 2.401308 . . 1081 . 114 GLU C C 179.508 . . 1082 . 114 GLU CA C 60.0835 . . 1083 . 114 GLU CB C 29.6675 . . 1084 . 114 GLU CG C 36.44183 . . 1085 . 114 GLU N N 120.068 . . 1086 . 115 GLN H H 7.753 . . 1087 . 115 GLN HA H 4.19319 . . 1088 . 115 GLN HB2 H 2.309799 . . 1089 . 115 GLN HB3 H 2.376685 . . 1090 . 115 GLN HG2 H 2.500585 . . 1091 . 115 GLN HG3 H 2.594226 . . 1092 . 115 GLN HE21 H 6.891301 . . 1093 . 115 GLN HE22 H 7.675243 . . 1094 . 115 GLN C C 178.676 . . 1095 . 115 GLN CA C 59.0005 . . 1096 . 115 GLN CB C 28.143 . . 1097 . 115 GLN CG C 33.95795 . . 1098 . 115 GLN N N 119.682 . . 1099 . 115 GLN NE2 N 111.97 . . 1100 . 116 GLU H H 8.461 . . 1101 . 116 GLU HA H 4.109744 . . 1102 . 116 GLU HB2 H 2.069962 . . 1103 . 116 GLU HB3 H 2.191239 . . 1104 . 116 GLU HG2 H 2.394734 . . 1105 . 116 GLU HG3 H 2.597825 . . 1106 . 116 GLU C C 180.128 . . 1107 . 116 GLU CA C 59.7085 . . 1108 . 116 GLU CB C 30.006 . . 1109 . 116 GLU CG C 36.42855 . . 1110 . 116 GLU N N 121.628 . . 1111 . 117 LYS H H 9.033 . . 1112 . 117 LYS HA H 3.834093 . . 1113 . 117 LYS C C 177.686 . . 1114 . 117 LYS CA C 60.949 . . 1115 . 117 LYS CB C 32.117 . . 1116 . 117 LYS N N 123.103 . . 1117 . 118 THR H H 8.234 . . 1118 . 118 THR HA H 4.080557 . . 1119 . 118 THR HB H 4.398613 . . 1120 . 118 THR HG2 H 1.331696 . . 1121 . 118 THR C C 177.107 . . 1122 . 118 THR CA C 66.657 . . 1123 . 118 THR CB C 68.61 . . 1124 . 118 THR CG2 C 21.91373 . . 1125 . 118 THR N N 116.493 . . 1126 . 119 GLU H H 8.351 . . 1127 . 119 GLU HA H 4.110165 . . 1128 . 119 GLU HB2 H 2.0677 . . 1129 . 119 GLU HB3 H 2.150544 . . 1130 . 119 GLU HG2 H 2.360344 . . 1131 . 119 GLU HG3 H 2.360344 . . 1132 . 119 GLU C C 178.677 . . 1133 . 119 GLU CA C 59.4265 . . 1134 . 119 GLU CB C 29.066 . . 1135 . 119 GLU CG C 36.20506 . . 1136 . 119 GLU N N 122.121 . . 1137 . 120 ALA H H 8.077 . . 1138 . 120 ALA HA H 4.101955 . . 1139 . 120 ALA HB H 1.589723 . . 1140 . 120 ALA C C 179.767 . . 1141 . 120 ALA CA C 55.5055 . . 1142 . 120 ALA CB C 16.713 . . 1143 . 120 ALA N N 122.225 . . 1144 . 121 GLU H H 8.393 . . 1145 . 121 GLU C C 181.051 . . 1146 . 121 GLU CA C 59.875 . . 1147 . 121 GLU CB C 29.522 . . 1148 . 121 GLU N N 118.012 . . 1149 . 122 ARG H H 8.41 . . 1150 . 122 ARG HA H 4.08313 . . 1151 . 122 ARG HB2 H 2.022807 . . 1152 . 122 ARG HB3 H 2.022807 . . 1153 . 122 ARG HG2 H 1.728629 . . 1154 . 122 ARG HG3 H 1.885425 . . 1155 . 122 ARG HD2 H 3.234725 . . 1156 . 122 ARG HD3 H 3.234725 . . 1157 . 122 ARG C C 178.13 . . 1158 . 122 ARG CA C 59.715 . . 1159 . 122 ARG CB C 30.021 . . 1160 . 122 ARG CG C 27.5852 . . 1161 . 122 ARG CD C 43.53882 . . 1162 . 122 ARG N N 122.559 . . 1163 . 123 ARG H H 7.475 . . 1164 . 123 ARG HA H 4.432622 . . 1165 . 123 ARG HG2 H 1.722398 . . 1166 . 123 ARG HG3 H 1.893098 . . 1167 . 123 ARG HD2 H 3.265941 . . 1168 . 123 ARG C C 175.045 . . 1169 . 123 ARG CA C 55.942 . . 1170 . 123 ARG CG C 27.726 . . 1171 . 123 ARG CD C 43.36 . . 1172 . 123 ARG N N 115.651 . . 1173 . 124 LYS H H 7.789 . . 1174 . 124 LYS HA H 3.061371 . . 1175 . 124 LYS HB2 H 1.768999 . . 1176 . 124 LYS HB3 H 1.433645 . . 1177 . 124 LYS HG2 H 1.443616 . . 1178 . 124 LYS HG3 H 1.443616 . . 1179 . 124 LYS HD2 H 1.705306 . . 1180 . 124 LYS HD3 H 1.705306 . . 1181 . 124 LYS HE2 H 3.011312 . . 1182 . 124 LYS HE3 H 3.011312 . . 1183 . 124 LYS C C 175.624 . . 1184 . 124 LYS CA C 57.199 . . 1185 . 124 LYS CB C 32.653 . . 1186 . 124 LYS CG C 24.9424 . . 1187 . 124 LYS CD C 29.41156 . . 1188 . 124 LYS CE C 42.2437 . . 1189 . 124 LYS N N 115.283 . . 1190 . 125 ASP H H 8.178 . . 1191 . 125 ASP HA H 4.213138 . . 1192 . 125 ASP HB2 H 1.578314 . . 1193 . 125 ASP HB3 H 1.578314 . . 1194 . 125 ASP C C 176.089 . . 1195 . 125 ASP CA C 54.7635 . . 1196 . 125 ASP CB C 40.926 . . 1197 . 125 ASP N N 120.073 . . 1198 . 126 PHE H H 7.976 . . 1199 . 126 PHE HA H 4.616858 . . 1200 . 126 PHE HB2 H 3.094192 . . 1201 . 126 PHE HB3 H 3.20594 . . 1202 . 126 PHE C C 175.726 . . 1203 . 126 PHE CA C 58.138 . . 1204 . 126 PHE CB C 39.317 . . 1205 . 126 PHE N N 119.324 . . 1206 . 127 LEU H H 8.119 . . 1207 . 127 LEU HA H 4.406 . . 1208 . 127 LEU HB2 H 1.594413 . . 1209 . 127 LEU HB3 H 1.594413 . . 1210 . 127 LEU HG H 1.607166 . . 1211 . 127 LEU HD1 H 0.8915425 . . 1212 . 127 LEU HD2 H 0.927372 . . 1213 . 127 LEU C C 177.375 . . 1214 . 127 LEU CA C 55.487 . . 1215 . 127 LEU CB C 42.4285 . . 1216 . 127 LEU CG C 26.92056 . . 1217 . 127 LEU CD1 C 23.65854 . . 1218 . 127 LEU CD2 C 24.98259 . . 1219 . 127 LEU N N 122.489 . . 1220 . 128 THR H H 8.02 . . 1221 . 128 THR HA H 4.365012 . . 1222 . 128 THR HB H 4.290514 . . 1223 . 128 THR HG2 H 1.233385 . . 1224 . 128 THR C C 173.353 . . 1225 . 128 THR CA C 61.678 . . 1226 . 128 THR CB C 69.8105 . . 1227 . 128 THR CG2 C 21.62391 . . 1228 . 128 THR N N 114.455 . . 1229 . 129 ALA H H 7.93 . . 1230 . 129 ALA HA H 4.362881 . . 1231 . 129 ALA HB H 1.376416 . . 1232 . 129 ALA C C 180.462 . . 1233 . 129 ALA CA C 55.303 . . 1234 . 129 ALA CB C 19.623 . . 1235 . 129 ALA N N 132.028 . . 1236 . 130 ALA H H 8.002 . . 1237 . 130 ALA HA H 4.262053 . . 1238 . 130 ALA HB H 1.582647 . . 1239 . 130 ALA C C 180.591 . . 1240 . 130 ALA CA C 54.9105 . . 1241 . 130 ALA CB C 18.3015 . . 1242 . 130 ALA N N 118.446 . . 1243 . 131 ARG H H 7.747 . . 1244 . 131 ARG HA H 4.13969 . . 1245 . 131 ARG HB2 H 2.024859 . . 1246 . 131 ARG HB3 H 2.135428 . . 1247 . 131 ARG HG2 H 1.637336 . . 1248 . 131 ARG HG3 H 1.637336 . . 1249 . 131 ARG HD2 H 3.234315 . . 1250 . 131 ARG HD3 H 3.234315 . . 1251 . 131 ARG C C 179.401 . . 1252 . 131 ARG CA C 59.7665 . . 1253 . 131 ARG CB C 29.6015 . . 1254 . 131 ARG CG C 27.65273 . . 1255 . 131 ARG CD C 43.61161 . . 1256 . 131 ARG N N 121.194 . . 1257 . 132 ILE H H 8.452 . . 1258 . 132 ILE HA H 3.820369 . . 1259 . 132 ILE HB H 1.684412 . . 1260 . 132 ILE HG12 H 1.087596 . . 1261 . 132 ILE HG13 H 1.087596 . . 1262 . 132 ILE HG2 H 1.048588 . . 1263 . 132 ILE HD1 H 0.7432474 . . 1264 . 132 ILE C C 178.42 . . 1265 . 132 ILE CA C 65.044 . . 1266 . 132 ILE CB C 38.3475 . . 1267 . 132 ILE CG1 C 28.62608 . . 1268 . 132 ILE CG2 C 20.08234 . . 1269 . 132 ILE CD1 C 14.25427 . . 1270 . 132 ILE N N 120.553 . . 1271 . 133 ALA H H 8.561 . . 1272 . 133 ALA HA H 4.126852 . . 1273 . 133 ALA HB H 1.579955 . . 1274 . 133 ALA C C 180.584 . . 1275 . 133 ALA CA C 55.778 . . 1276 . 133 ALA CB C 18.0675 . . 1277 . 133 ALA N N 122.169 . . 1278 . 134 LYS H H 7.631 . . 1279 . 134 LYS HA H 4.115049 . . 1280 . 134 LYS HB2 H 2.058204 . . 1281 . 134 LYS HB3 H 2.058283 . . 1282 . 134 LYS HG2 H 1.448022 . . 1283 . 134 LYS HG3 H 1.662059 . . 1284 . 134 LYS HD2 H 1.74795 . . 1285 . 134 LYS HD3 H 1.74795 . . 1286 . 134 LYS HE2 H 3.015365 . . 1287 . 134 LYS HE3 H 3.015365 . . 1288 . 134 LYS C C 179.297 . . 1289 . 134 LYS CA C 59.844 . . 1290 . 134 LYS CB C 32.238 . . 1291 . 134 LYS CG C 25.42606 . . 1292 . 134 LYS CD C 29.6269 . . 1293 . 134 LYS CE C 42.30039 . . 1294 . 134 LYS N N 117.897 . . 1295 . 135 GLU H H 8.03 . . 1296 . 135 GLU HA H 4.108028 . . 1297 . 135 GLU HB2 H 2.06345 . . 1298 . 135 GLU HB3 H 2.06345 . . 1299 . 135 GLU HG2 H 2.392292 . . 1300 . 135 GLU HG3 H 2.392292 . . 1301 . 135 GLU C C 180.338 . . 1302 . 135 GLU CA C 59.5725 . . 1303 . 135 GLU CB C 29.7345 . . 1304 . 135 GLU CG C 36.52837 . . 1305 . 135 GLU N N 120.797 . . 1306 . 136 MET H H 8.784 . . 1307 . 136 MET HA H 3.943992 . . 1308 . 136 MET HB2 H 2.323042 . . 1309 . 136 MET HB3 H 2.390977 . . 1310 . 136 MET HG2 H 2.068209 . . 1311 . 136 MET HG3 H 2.107103 . . 1312 . 136 MET HE H 2.184144 . . 1313 . 136 MET C C 177.999 . . 1314 . 136 MET CA C 60.116 . . 1315 . 136 MET CB C 36.54702 . . 1316 . 136 MET CG C 29.77583 . . 1317 . 136 MET CE C 16.406 . . 1318 . 136 MET N N 118.337 . . 1319 . 137 ILE H H 7.826 . . 1320 . 137 ILE HA H 3.716668 . . 1321 . 137 ILE HB H 2.099672 . . 1322 . 137 ILE HG12 H 1.2795 . . 1323 . 137 ILE HG13 H 1.85182 . . 1324 . 137 ILE HG2 H 0.9891185 . . 1325 . 137 ILE HD1 H 0.9390596 . . 1326 . 137 ILE C C 178.969 . . 1327 . 137 ILE CA C 65.393 . . 1328 . 137 ILE CB C 38.055 . . 1329 . 137 ILE CG1 C 29.52835 . . 1330 . 137 ILE CG2 C 17.27256 . . 1331 . 137 ILE CD1 C 13.23281 . . 1332 . 137 ILE N N 120.466 . . 1333 . 138 GLU H H 7.672 . . 1334 . 138 GLU HA H 4.083951 . . 1335 . 138 GLU HB2 H 2.138746 . . 1336 . 138 GLU HB3 H 2.138746 . . 1337 . 138 GLU HG2 H 2.414228 . . 1338 . 138 GLU HG3 H 2.414228 . . 1339 . 138 GLU C C 179.447 . . 1340 . 138 GLU CA C 59.1105 . . 1341 . 138 GLU CB C 29.0285 . . 1342 . 138 GLU CG C 36.24627 . . 1343 . 138 GLU N N 119.173 . . 1344 . 139 MET H H 8.243 . . 1345 . 139 MET HA H 4.110729 . . 1346 . 139 MET HB2 H 2.037362 . . 1347 . 139 MET HB3 H 2.212972 . . 1348 . 139 MET HG2 H 2.472484 . . 1349 . 139 MET HG3 H 2.755725 . . 1350 . 139 MET HE H 2.12246 . . 1351 . 139 MET C C 178.622 . . 1352 . 139 MET CA C 59.236 . . 1353 . 139 MET CB C 33.54 . . 1354 . 139 MET CG C 32.576 . . 1355 . 139 MET CE C 16.94608 . . 1356 . 139 MET N N 119.22 . . 1357 . 140 LYS H H 8.436 . . 1358 . 140 LYS HA H 3.804521 . . 1359 . 140 LYS HB2 H 1.967911 . . 1360 . 140 LYS HB3 H 2.059482 . . 1361 . 140 LYS HG2 H 1.497134 . . 1362 . 140 LYS HG3 H 1.666642 . . 1363 . 140 LYS HD2 H 1.723823 . . 1364 . 140 LYS HD3 H 1.723823 . . 1365 . 140 LYS HE2 H 3.126997 . . 1366 . 140 LYS HE3 H 3.126997 . . 1367 . 140 LYS C C 179.187 . . 1368 . 140 LYS CA C 60.141 . . 1369 . 140 LYS CB C 32.333 . . 1370 . 140 LYS CG C 25.40576 . . 1371 . 140 LYS CD C 29.6649 . . 1372 . 140 LYS CE C 42.64601 . . 1373 . 140 LYS N N 118.825 . . 1374 . 141 LYS H H 7.796 . . 1375 . 141 LYS HA H 4.12417 . . 1376 . 141 LYS HB2 H 2.058512 . . 1377 . 141 LYS HB3 H 2.058512 . . 1378 . 141 LYS HG2 H 1.502314 . . 1379 . 141 LYS HG3 H 1.662986 . . 1380 . 141 LYS HD2 H 1.714492 . . 1381 . 141 LYS HD3 H 1.714492 . . 1382 . 141 LYS HE2 H 3.017314 . . 1383 . 141 LYS HE3 H 3.017314 . . 1384 . 141 LYS C C 179.007 . . 1385 . 141 LYS CA C 59.4725 . . 1386 . 141 LYS CB C 32.4075 . . 1387 . 141 LYS CG C 25.40568 . . 1388 . 141 LYS CD C 29.6238 . . 1389 . 141 LYS CE C 42.31852 . . 1390 . 141 LYS N N 119.868 . . 1391 . 142 MET H H 7.632 . . 1392 . 142 MET HA H 4.334616 . . 1393 . 142 MET HB2 H 2.203027 . . 1394 . 142 MET HB3 H 2.203027 . . 1395 . 142 MET HG2 H 2.621154 . . 1396 . 142 MET HG3 H 2.769887 . . 1397 . 142 MET HE H 2.050609 . . 1398 . 142 MET C C 178.079 . . 1399 . 142 MET CA C 58.3545 . . 1400 . 142 MET CB C 32.2495 . . 1401 . 142 MET CG C 32.03600 . . 1402 . 142 MET CE C 17.43726 . . 1403 . 142 MET N N 117.536 . . 1404 . 143 LEU H H 7.765 . . 1405 . 143 LEU HA H 4.139047 . . 1406 . 143 LEU HB2 H 1.289605 . . 1407 . 143 LEU HB3 H 1.533607 . . 1408 . 143 LEU HG H 1.474919 . . 1409 . 143 LEU HD1 H 0.4184409 . . 1410 . 143 LEU HD2 H 0.0363562 . . 1411 . 143 LEU C C 177.725 . . 1412 . 143 LEU CA C 56.294 . . 1413 . 143 LEU CB C 42.217 . . 1414 . 143 LEU CG C 26.49997 . . 1415 . 143 LEU CD1 C 22.72973 . . 1416 . 143 LEU CD2 C 24.63005 . . 1417 . 143 LEU N N 119.807 . . 1418 . 144 SER H H 7.85 . . 1419 . 144 SER HA H 4.599562 . . 1420 . 144 SER HB2 H 4.043013 . . 1421 . 144 SER HB3 H 4.043013 . . 1422 . 144 SER C C 174.418 . . 1423 . 144 SER CA C 58.8875 . . 1424 . 144 SER CB C 63.796 . . 1425 . 144 SER N N 114.15 . . 1426 . 145 SER H H 8.043 . . 1427 . 145 SER HA H 4.610394 . . 1428 . 145 SER HB2 H 3.9794 . . 1429 . 145 SER HB3 H 3.9794 . . 1430 . 145 SER C C 178.843 . . 1431 . 145 SER CA C 58.645 . . 1432 . 145 SER CB C 63.953 . . 1433 . 145 SER N N 117.312 . . stop_ save_