data_4697 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the fMet-tRNAfMet-binding domain of B. stearothermophilus initiation factor IF2 ; _BMRB_accession_number 4697 _BMRB_flat_file_name bmr4697.str _Entry_type original _Submission_date 2000-03-22 _Accession_date 2000-03-22 _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 Meunier Sylvie . . 2 Spurio Roberto . . 3 Czisch Michael . . 4 Wechselberger Rainer . . 5 Guennuegues Marc . . 6 Gualerzi Claudio O. . 7 Boelens Rolf . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 582 "13C chemical shifts" 291 "15N chemical shifts" 122 "T1 relaxation values" 90 "T2 relaxation values" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-07-09 original author 'Original release' 2006-06-01 update BMRB 'Addition of relaxation data by Hans Wienk from Bijvoet Center for Biomolecular Research NMR Spectroscopy Research Group' stop_ loop_ _Related_BMRB_accession_number _Relationship 7088 'IF2 domain III-IV' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the fMet-tRNA(fMet)-binding domain of B. stearothermophilus initiation factor IF2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20237627 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Meunier Sylvie . . 2 Spurio Roberto . . 3 Czisch Michael . . 4 Wechselberger Rainer . . 5 Guennuegues Marc . . 6 Gualerzi Claudio O . 7 Boelens Rolf . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 19 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1918 _Page_last 1926 _Year 2000 _Details . loop_ _Keyword 'bacterial translation' NMR protein 'protein biosynthesis' ribosome stop_ save_ ################################## # Molecular system description # ################################## save_system_IF2_C-2 _Saveframe_category molecular_system _Mol_system_name 'fMet-tRNA binding domain of initiation factor IF2' _Abbreviation_common 'IF2 C-2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'IF2 C-2' $IF2_C-2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IF2_C-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'fMet-tRNA binding domain of initiation factor IF2' _Abbreviation_common 'IF2 C-2' _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; EIEAAMKGMLDPEYEEKVIG QAEVRQTFKVSKVGTIAGCY VTDGKITRDSKVRLIRQGIV VYEGEIDSLKRYKDDVREVA QGYECGLTIKNFNDIKEGDV IEAYVMQEVARA ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ILE 3 GLU 4 ALA 5 ALA 6 MET 7 LYS 8 GLY 9 MET 10 LEU 11 ASP 12 PRO 13 GLU 14 TYR 15 GLU 16 GLU 17 LYS 18 VAL 19 ILE 20 GLY 21 GLN 22 ALA 23 GLU 24 VAL 25 ARG 26 GLN 27 THR 28 PHE 29 LYS 30 VAL 31 SER 32 LYS 33 VAL 34 GLY 35 THR 36 ILE 37 ALA 38 GLY 39 CYS 40 TYR 41 VAL 42 THR 43 ASP 44 GLY 45 LYS 46 ILE 47 THR 48 ARG 49 ASP 50 SER 51 LYS 52 VAL 53 ARG 54 LEU 55 ILE 56 ARG 57 GLN 58 GLY 59 ILE 60 VAL 61 VAL 62 TYR 63 GLU 64 GLY 65 GLU 66 ILE 67 ASP 68 SER 69 LEU 70 LYS 71 ARG 72 TYR 73 LYS 74 ASP 75 ASP 76 VAL 77 ARG 78 GLU 79 VAL 80 ALA 81 GLN 82 GLY 83 TYR 84 GLU 85 CYS 86 GLY 87 LEU 88 THR 89 ILE 90 LYS 91 ASN 92 PHE 93 ASN 94 ASP 95 ILE 96 LYS 97 GLU 98 GLY 99 ASP 100 VAL 101 ILE 102 GLU 103 ALA 104 TYR 105 VAL 106 MET 107 GLN 108 GLU 109 VAL 110 ALA 111 ARG 112 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1D1N "Solution Structure Of The Fmet-Trnafmet Binding Domain Of Becillus Stearothermophillus Translation Initiation Factor If2" 88.39 99 100.00 100.00 1.01e-61 DBJ BAD75548 "translation initiation factor IF-2 [Geobacillus kaustophilus HTA426]" 65.18 709 100.00 100.00 1.26e-39 DBJ GAD12201 "translation initiation factor IF-2 [Geobacillus kaustophilus GBlys]" 100.00 734 99.11 100.00 3.53e-68 DBJ GAJ59418 "translation initiation factor IF-2 [Geobacillus thermoleovorans B23]" 100.00 739 99.11 100.00 3.46e-68 EMBL CAA27987 "unnamed protein product [Geobacillus stearothermophilus]" 100.00 741 100.00 100.00 2.89e-68 GB ABO66491 "Translation initiation factor IF-2 [Geobacillus thermodenitrificans NG80-2]" 100.00 735 98.21 100.00 1.85e-67 GB ACX78663 "translation initiation factor IF-2 [Geobacillus sp. Y412MC61]" 100.00 739 99.11 100.00 3.46e-68 GB ADI27260 "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" 100.00 739 99.11 100.00 3.36e-68 GB ADU93636 "translation initiation factor IF-2 [Geobacillus sp. Y412MC52]" 100.00 739 99.11 100.00 3.46e-68 GB AEV18768 "Translation initiation factor IF-2 [Geobacillus thermoleovorans CCB_US3_UF5]" 100.00 739 99.11 100.00 3.46e-68 REF WP_008878544 "translation initiation factor IF-2 [Geobacillus sp. G11MC16]" 100.00 735 98.21 100.00 1.80e-67 REF WP_011230763 "translation initiation factor IF-2 [Geobacillus kaustophilus]" 65.18 709 100.00 100.00 1.26e-39 REF WP_011887154 "translation initiation factor IF-2 [Geobacillus thermodenitrificans]" 100.00 735 98.21 100.00 1.85e-67 REF WP_013145729 "translation initiation factor IF-2 [Geobacillus sp. C56-T3]" 100.00 739 99.11 100.00 3.36e-68 REF WP_013523417 "MULTISPECIES: translation initiation factor IF-2 [Geobacillus]" 100.00 739 99.11 100.00 3.46e-68 SP A4IMD7 "RecName: Full=Translation initiation factor IF-2" 100.00 735 98.21 100.00 1.85e-67 SP P04766 "RecName: Full=Translation initiation factor IF-2" 100.00 741 100.00 100.00 2.89e-68 SP Q5L0I8 "RecName: Full=Translation initiation factor IF-2" 65.18 709 100.00 100.00 1.26e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $IF2_C-2 'Bacillus stearothermophilus' 1422 Bacteria . Bacillus 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 $IF2_C-2 '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 $IF2_C-2 1.5 mM '[U-98% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IF2_C-2 1.5 mM '[U-10% 13C; U-98% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.200 0.01 M pH 5.2 0.1 pH temperature 312 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'IF2 C-2' _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 GLU C C 176.807 . . 2 . 1 GLU CA C 58.320 . . 3 . 1 GLU HA H 4.098 . . 4 . 1 GLU H H 8.733 . . 5 . 1 GLU N N 122.631 . . 6 . 2 ILE C C 176.313 . . 7 . 2 ILE CA C 58.753 . . 8 . 2 ILE HA H 4.494 . . 9 . 2 ILE HB H 2.359 . . 10 . 2 ILE H H 8.118 . . 11 . 2 ILE N N 121.449 . . 12 . 3 GLU C C 176.955 . . 13 . 3 GLU CA C 57.531 . . 14 . 3 GLU HA H 4.089 . . 15 . 3 GLU HB3 H 2.272 . . 16 . 3 GLU HB2 H 1.987 . . 17 . 3 GLU HG3 H 1.623 . . 18 . 3 GLU H H 8.081 . . 19 . 3 GLU N N 122.646 . . 20 . 4 ALA C C 178.311 . . 21 . 4 ALA CA C 53.670 . . 22 . 4 ALA CB C 32.985 . . 23 . 4 ALA HA H 3.963 . . 24 . 4 ALA HB H 1.881 . . 25 . 4 ALA H H 8.100 . . 26 . 4 ALA N N 124.649 . . 27 . 5 ALA C C 178.446 . . 28 . 5 ALA CA C 53.278 . . 29 . 5 ALA HA H 4.239 . . 30 . 5 ALA H H 7.952 . . 31 . 5 ALA N N 122.658 . . 32 . 6 MET C C 178.309 . . 33 . 6 MET CA C 56.032 . . 34 . 6 MET CB C 30.248 . . 35 . 6 MET HA H 4.350 . . 36 . 6 MET HB3 H 2.431 . . 37 . 6 MET HB2 H 2.525 . . 38 . 6 MET HG3 H 1.992 . . 39 . 6 MET HG2 H 2.019 . . 40 . 6 MET H H 7.910 . . 41 . 6 MET N N 119.102 . . 42 . 7 LYS C C 177.077 . . 43 . 7 LYS CA C 57.080 . . 44 . 7 LYS HA H 4.237 . . 45 . 7 LYS H H 7.958 . . 46 . 7 LYS N N 122.156 . . 47 . 8 GLY C C 174.171 . . 48 . 8 GLY CA C 45.576 . . 49 . 8 GLY HA3 H 3.909 . . 50 . 8 GLY H H 8.208 . . 51 . 8 GLY N N 110.330 . . 52 . 9 MET C C 175.787 . . 53 . 9 MET CA C 55.794 . . 54 . 9 MET CB C 41.600 . . 55 . 9 MET H H 7.969 . . 56 . 9 MET N N 120.525 . . 57 . 10 LEU CA C 54.907 . . 58 . 10 LEU HA H 4.346 . . 59 . 10 LEU H H 8.007 . . 60 . 10 LEU N N 123.276 . . 61 . 12 PRO C C 176.099 . . 62 . 12 PRO CA C 63.259 . . 63 . 13 GLU C C 175.219 . . 64 . 13 GLU CA C 55.917 . . 65 . 13 GLU HA H 4.320 . . 66 . 13 GLU HB3 H 1.943 . . 67 . 13 GLU HB2 H 1.834 . . 68 . 13 GLU HG3 H 2.271 . . 69 . 13 GLU HG2 H 2.151 . . 70 . 13 GLU H H 8.267 . . 71 . 13 GLU N N 121.039 . . 72 . 14 TYR C C 175.112 . . 73 . 14 TYR CA C 57.009 . . 74 . 14 TYR HA H 5.093 . . 75 . 14 TYR HB3 H 1.827 . . 76 . 14 TYR HB2 H 1.637 . . 77 . 14 TYR H H 8.107 . . 78 . 14 TYR N N 120.291 . . 79 . 15 GLU C C 174.710 . . 80 . 15 GLU CA C 54.263 . . 81 . 15 GLU HA H 4.720 . . 82 . 15 GLU HB3 H 2.161 . . 83 . 15 GLU HB2 H 1.947 . . 84 . 15 GLU HG3 H 2.233 . . 85 . 15 GLU HG2 H 2.233 . . 86 . 15 GLU H H 9.122 . . 87 . 15 GLU N N 121.528 . . 88 . 16 GLU C C 176.065 . . 89 . 16 GLU CA C 56.116 . . 90 . 16 GLU HA H 4.895 . . 91 . 16 GLU HB3 H 1.849 . . 92 . 16 GLU HB2 H 1.701 . . 93 . 16 GLU HG3 H 2.197 . . 94 . 16 GLU HG2 H 2.055 . . 95 . 16 GLU H H 8.530 . . 96 . 16 GLU N N 123.953 . . 97 . 17 LYS C C 175.174 . . 98 . 17 LYS CA C 54.774 . . 99 . 17 LYS HA H 4.621 . . 100 . 17 LYS HB3 H 1.765 . . 101 . 17 LYS HB2 H 1.556 . . 102 . 17 LYS HD3 H 1.566 . . 103 . 17 LYS HD2 H 1.566 . . 104 . 17 LYS HE3 H 2.900 . . 105 . 17 LYS HE2 H 2.900 . . 106 . 17 LYS HG3 H 1.322 . . 107 . 17 LYS HG2 H 1.175 . . 108 . 17 LYS H H 9.122 . . 109 . 17 LYS N N 127.233 . . 110 . 18 VAL C C 177.220 . . 111 . 18 VAL CA C 64.071 . . 112 . 18 VAL HA H 4.261 . . 113 . 18 VAL HB H 1.984 . . 114 . 18 VAL HG1 H 1.057 . . 115 . 18 VAL HG2 H 0.903 . . 116 . 18 VAL H H 8.717 . . 117 . 18 VAL N N 129.150 . . 118 . 19 ILE C C 176.315 . . 119 . 19 ILE CA C 61.147 . . 120 . 19 ILE HB H 1.912 . . 121 . 19 ILE H H 9.195 . . 122 . 19 ILE N N 124.143 . . 123 . 20 GLY C C 171.540 . . 124 . 20 GLY CA C 46.820 . . 125 . 20 GLY HA3 H 4.489 . . 126 . 20 GLY H H 7.820 . . 127 . 20 GLY N N 112.129 . . 128 . 21 GLN C C 173.828 . . 129 . 21 GLN CA C 46.820 . . 130 . 21 GLN CB C 33.691 . . 131 . 21 GLN HA H 5.535 . . 132 . 21 GLN HB3 H 1.999 . . 133 . 21 GLN HB2 H 1.941 . . 134 . 21 GLN HE21 H 7.486 . . 135 . 21 GLN HE22 H 6.811 . . 136 . 21 GLN HG3 H 2.361 . . 137 . 21 GLN HG2 H 2.270 . . 138 . 21 GLN H H 8.532 . . 139 . 21 GLN N N 117.567 . . 140 . 21 GLN NE2 N 113.521 . . 141 . 22 ALA C C 174.702 . . 142 . 22 ALA CA C 50.200 . . 143 . 22 ALA CB C 23.421 . . 144 . 22 ALA HA H 5.329 . . 145 . 22 ALA HB H 1.137 . . 146 . 22 ALA H H 9.412 . . 147 . 22 ALA N N 123.497 . . 148 . 23 GLU C C 176.338 . . 149 . 23 GLU CA C 54.561 . . 150 . 23 GLU CB C 32.757 . . 151 . 23 GLU HA H 4.994 . . 152 . 23 GLU HB3 H 2.124 . . 153 . 23 GLU HB2 H 2.030 . . 154 . 23 GLU HG3 H 2.337 . . 155 . 23 GLU HG2 H 2.325 . . 156 . 23 GLU H H 8.862 . . 157 . 23 GLU N N 121.281 . . 158 . 24 VAL C C 176.358 . . 159 . 24 VAL CA C 63.403 . . 160 . 24 VAL CB C 32.875 . . 161 . 24 VAL HA H 4.213 . . 162 . 24 VAL HB H 2.334 . . 163 . 24 VAL HG1 H 0.835 . . 164 . 24 VAL HG2 H 0.672 . . 165 . 24 VAL H H 8.999 . . 166 . 24 VAL N N 125.633 . . 167 . 25 ARG C C 175.768 . . 168 . 25 ARG CA C 56.893 . . 169 . 25 ARG CB C 31.847 . . 170 . 25 ARG HA H 4.504 . . 171 . 25 ARG HB3 H 1.901 . . 172 . 25 ARG HB2 H 1.826 . . 173 . 25 ARG HD3 H 3.138 . . 174 . 25 ARG HD2 H 3.138 . . 175 . 25 ARG HE H 7.392 . . 176 . 25 ARG HG3 H 1.612 . . 177 . 25 ARG HG2 H 1.612 . . 178 . 25 ARG H H 9.271 . . 179 . 25 ARG N N 132.457 . . 180 . 25 ARG NE N 125.118 . . 181 . 26 GLN C C 173.957 . . 182 . 26 GLN CA C 55.110 . . 183 . 26 GLN CB C 33.323 . . 184 . 26 GLN HA H 4.690 . . 185 . 26 GLN HB3 H 1.900 . . 186 . 26 GLN HB2 H 1.833 . . 187 . 26 GLN HE21 H 7.427 . . 188 . 26 GLN HE22 H 6.789 . . 189 . 26 GLN HG3 H 2.177 . . 190 . 26 GLN HG2 H 2.107 . . 191 . 26 GLN H H 8.186 . . 192 . 26 GLN N N 117.605 . . 193 . 26 GLN NE2 N 112.783 . . 194 . 27 THR C C 172.856 . . 195 . 27 THR CA C 59.702 . . 196 . 27 THR CB C 71.943 . . 197 . 27 THR HA H 5.126 . . 198 . 27 THR HB H 3.869 . . 199 . 27 THR HG2 H 0.827 . . 200 . 27 THR H H 8.353 . . 201 . 27 THR N N 113.167 . . 202 . 28 PHE C C 174.227 . . 203 . 28 PHE CA C 56.170 . . 204 . 28 PHE CB C 41.146 . . 205 . 28 PHE HA H 4.859 . . 206 . 28 PHE HB3 H 3.093 . . 207 . 28 PHE HB2 H 2.847 . . 208 . 28 PHE HD1 H 7.087 . . 209 . 28 PHE HD2 H 7.087 . . 210 . 28 PHE HE1 H 7.144 . . 211 . 28 PHE HE2 H 7.144 . . 212 . 28 PHE H H 8.766 . . 213 . 28 PHE N N 120.561 . . 214 . 29 LYS C C 175.988 . . 215 . 29 LYS CA C 56.095 . . 216 . 29 LYS CB C 32.849 . . 217 . 29 LYS HA H 4.779 . . 218 . 29 LYS HB3 H 1.726 . . 219 . 29 LYS HB2 H 1.626 . . 220 . 29 LYS HD3 H 1.628 . . 221 . 29 LYS HD2 H 1.628 . . 222 . 29 LYS HE3 H 2.922 . . 223 . 29 LYS HE2 H 2.922 . . 224 . 29 LYS HG3 H 1.411 . . 225 . 29 LYS HG2 H 1.350 . . 226 . 29 LYS H H 8.712 . . 227 . 29 LYS N N 125.793 . . 228 . 30 VAL C C 176.352 . . 229 . 30 VAL CA C 61.587 . . 230 . 30 VAL CB C 33.830 . . 231 . 30 VAL HA H 4.276 . . 232 . 30 VAL HB H 1.950 . . 233 . 30 VAL HG1 H 0.942 . . 234 . 30 VAL HG2 H 0.887 . . 235 . 30 VAL H H 8.386 . . 236 . 30 VAL N N 126.420 . . 237 . 31 SER C C 174.900 . . 238 . 31 SER CA C 60.281 . . 239 . 31 SER HA H 4.165 . . 240 . 31 SER HB3 H 3.918 . . 241 . 31 SER HB2 H 3.918 . . 242 . 31 SER H H 8.746 . . 243 . 31 SER N N 125.242 . . 244 . 32 LYS C C 176.272 . . 245 . 32 LYS CA C 59.244 . . 246 . 32 LYS CB C 31.422 . . 247 . 32 LYS HA H 3.925 . . 248 . 32 LYS HB3 H 2.085 . . 249 . 32 LYS HB2 H 1.941 . . 250 . 32 LYS HD3 H 1.660 . . 251 . 32 LYS HD2 H 1.660 . . 252 . 32 LYS HE3 H 2.963 . . 253 . 32 LYS HE2 H 2.963 . . 254 . 32 LYS HG3 H 1.445 . . 255 . 32 LYS HG2 H 1.392 . . 256 . 32 LYS H H 8.533 . . 257 . 32 LYS N N 119.957 . . 258 . 33 VAL C C 175.474 . . 259 . 33 VAL CA C 63.668 . . 260 . 33 VAL CB C 34.102 . . 261 . 33 VAL HA H 4.091 . . 262 . 33 VAL HB H 1.825 . . 263 . 33 VAL HG1 H 0.842 . . 264 . 33 VAL HG2 H 0.813 . . 265 . 33 VAL H H 7.872 . . 266 . 33 VAL N N 119.251 . . 267 . 34 GLY C C 172.490 . . 268 . 34 GLY CA C 44.861 . . 269 . 34 GLY HA3 H 4.338 . . 270 . 34 GLY HA2 H 3.711 . . 271 . 34 GLY H H 8.082 . . 272 . 34 GLY N N 109.440 . . 273 . 35 THR C C 172.755 . . 274 . 35 THR CA C 62.108 . . 275 . 35 THR CB C 70.531 . . 276 . 35 THR HA H 4.862 . . 277 . 35 THR HB H 4.037 . . 278 . 35 THR HG2 H 1.073 . . 279 . 35 THR H H 8.285 . . 280 . 35 THR N N 121.207 . . 281 . 36 ILE C C 174.841 . . 282 . 36 ILE CA C 60.495 . . 283 . 36 ILE HA H 4.210 . . 284 . 36 ILE HB H 1.644 . . 285 . 36 ILE HG2 H 0.728 . . 286 . 36 ILE H H 9.029 . . 287 . 36 ILE N N 128.282 . . 288 . 37 ALA C C 175.883 . . 289 . 37 ALA CA C 50.512 . . 290 . 37 ALA HA H 4.685 . . 291 . 37 ALA HB H 1.300 . . 292 . 37 ALA H H 9.216 . . 293 . 37 ALA N N 130.562 . . 294 . 38 GLY C C 173.850 . . 295 . 38 GLY CA C 46.425 . . 296 . 38 GLY HA3 H 4.953 . . 297 . 38 GLY HA2 H 3.659 . . 298 . 38 GLY H H 9.466 . . 299 . 38 GLY N N 117.056 . . 300 . 39 CYS C C 173.461 . . 301 . 39 CYS CA C 57.646 . . 302 . 39 CYS CB C 32.243 . . 303 . 39 CYS HA H 5.671 . . 304 . 39 CYS HB3 H 2.884 . . 305 . 39 CYS HB2 H 2.330 . . 306 . 39 CYS HG H 1.942 . . 307 . 39 CYS H H 9.241 . . 308 . 39 CYS N N 124.454 . . 309 . 40 TYR C C 174.599 . . 310 . 40 TYR CA C 57.174 . . 311 . 40 TYR CB C 41.842 . . 312 . 40 TYR HA H 4.901 . . 313 . 40 TYR HB3 H 2.829 . . 314 . 40 TYR HB2 H 2.829 . . 315 . 40 TYR HD1 H 6.819 . . 316 . 40 TYR HD2 H 6.819 . . 317 . 40 TYR HE1 H 6.637 . . 318 . 40 TYR HE2 H 6.637 . . 319 . 40 TYR H H 8.747 . . 320 . 40 TYR N N 123.814 . . 321 . 41 VAL C C 174.845 . . 322 . 41 VAL CA C 63.955 . . 323 . 41 VAL CB C 30.544 . . 324 . 41 VAL HA H 3.965 . . 325 . 41 VAL HB H 2.139 . . 326 . 41 VAL HG1 H 0.672 . . 327 . 41 VAL HG2 H 0.672 . . 328 . 41 VAL H H 7.834 . . 329 . 41 VAL N N 130.186 . . 330 . 42 THR C C 175.896 . . 331 . 42 THR CA C 62.909 . . 332 . 42 THR HA H 4.218 . . 333 . 42 THR HB H 4.284 . . 334 . 42 THR HG2 H 1.375 . . 335 . 42 THR H H 8.564 . . 336 . 42 THR N N 121.984 . . 337 . 43 ASP C C 174.585 . . 338 . 43 ASP CA C 54.186 . . 339 . 43 ASP CB C 45.083 . . 340 . 43 ASP HA H 4.790 . . 341 . 43 ASP HB3 H 2.561 . . 342 . 43 ASP HB2 H 2.337 . . 343 . 43 ASP H H 7.709 . . 344 . 43 ASP N N 121.502 . . 345 . 44 GLY C C 172.767 . . 346 . 44 GLY CA C 46.587 . . 347 . 44 GLY HA3 H 3.576 . . 348 . 44 GLY H H 8.390 . . 349 . 44 GLY N N 112.610 . . 350 . 45 LYS C C 172.616 . . 351 . 45 LYS CA C 54.665 . . 352 . 45 LYS CB C 35.643 . . 353 . 45 LYS HA H 5.058 . . 354 . 45 LYS HB3 H 1.399 . . 355 . 45 LYS H H 9.030 . . 356 . 45 LYS N N 125.204 . . 357 . 46 ILE C C 175.416 . . 358 . 46 ILE CA C 59.388 . . 359 . 46 ILE CB C 39.326 . . 360 . 46 ILE HA H 4.073 . . 361 . 46 ILE HB H 1.515 . . 362 . 46 ILE HD1 H 0.523 . . 363 . 46 ILE HG13 H 1.173 . . 364 . 46 ILE HG12 H 1.136 . . 365 . 46 ILE HG2 H 0.656 . . 366 . 46 ILE H H 8.225 . . 367 . 46 ILE N N 116.246 . . 368 . 47 THR C C 175.240 . . 369 . 47 THR CA C 58.776 . . 370 . 47 THR CB C 71.286 . . 371 . 47 THR HA H 5.251 . . 372 . 47 THR HB H 4.532 . . 373 . 47 THR HG2 H 1.008 . . 374 . 47 THR H H 6.960 . . 375 . 47 THR N N 114.110 . . 376 . 48 ARG C C 174.940 . . 377 . 48 ARG CA C 57.933 . . 378 . 48 ARG CB C 29.605 . . 379 . 48 ARG HA H 3.914 . . 380 . 48 ARG HB3 H 1.912 . . 381 . 48 ARG HB2 H 1.987 . . 382 . 48 ARG HD3 H 3.244 . . 383 . 48 ARG HD2 H 3.244 . . 384 . 48 ARG HE H 7.281 . . 385 . 48 ARG HG3 H 1.772 . . 386 . 48 ARG HG2 H 1.655 . . 387 . 48 ARG H H 8.366 . . 388 . 48 ARG N N 121.422 . . 389 . 48 ARG NE N 125.372 . . 390 . 49 ASP C C 175.762 . . 391 . 49 ASP CA C 53.079 . . 392 . 49 ASP CB C 40.552 . . 393 . 49 ASP HA H 4.778 . . 394 . 49 ASP HB3 H 2.683 . . 395 . 49 ASP HB2 H 2.683 . . 396 . 49 ASP H H 7.918 . . 397 . 49 ASP N N 116.127 . . 398 . 50 SER C C 174.441 . . 399 . 50 SER CA C 60.568 . . 400 . 50 SER CB C 64.285 . . 401 . 50 SER HA H 4.159 . . 402 . 50 SER HB3 H 3.868 . . 403 . 50 SER HB2 H 3.868 . . 404 . 50 SER H H 7.380 . . 405 . 50 SER N N 118.467 . . 406 . 51 LYS C C 175.975 . . 407 . 51 LYS CA C 55.269 . . 408 . 51 LYS HA H 4.451 . . 409 . 51 LYS HB3 H 0.265 . . 410 . 51 LYS HB2 H 1.238 . . 411 . 51 LYS HD3 H 1.474 . . 412 . 51 LYS HD2 H 1.474 . . 413 . 51 LYS HE3 H 2.892 . . 414 . 51 LYS HE2 H 2.892 . . 415 . 51 LYS HG3 H 1.238 . . 416 . 51 LYS HG2 H 1.238 . . 417 . 51 LYS H H 8.351 . . 418 . 51 LYS N N 122.690 . . 419 . 52 VAL C C 174.898 . . 420 . 52 VAL CA C 58.261 . . 421 . 52 VAL CB C 36.415 . . 422 . 52 VAL CG2 C 18.779 . . 423 . 52 VAL HA H 5.709 . . 424 . 52 VAL HB H 1.812 . . 425 . 52 VAL HG1 H 0.698 . . 426 . 52 VAL HG2 H 0.598 . . 427 . 52 VAL H H 8.168 . . 428 . 52 VAL N N 111.734 . . 429 . 53 ARG C C 173.553 . . 430 . 53 ARG CA C 54.508 . . 431 . 53 ARG CB C 33.676 . . 432 . 53 ARG HA H 5.091 . . 433 . 53 ARG HB3 H 1.825 . . 434 . 53 ARG HB2 H 1.825 . . 435 . 53 ARG HD3 H 3.037 . . 436 . 53 ARG HD2 H 3.037 . . 437 . 53 ARG HE H 7.406 . . 438 . 53 ARG HG3 H 1.609 . . 439 . 53 ARG HG2 H 1.609 . . 440 . 53 ARG H H 9.156 . . 441 . 53 ARG N N 122.488 . . 442 . 53 ARG NE N 123.715 . . 443 . 54 LEU C C 174.820 . . 444 . 54 LEU CA C 53.931 . . 445 . 54 LEU HA H 5.115 . . 446 . 54 LEU HB3 H 1.869 . . 447 . 54 LEU HB2 H 1.869 . . 448 . 54 LEU HG H 0.968 . . 449 . 54 LEU H H 8.880 . . 450 . 54 LEU N N 128.092 . . 451 . 55 ILE C C 174.491 . . 452 . 55 ILE CA C 60.799 . . 453 . 55 ILE CB C 45.437 . . 454 . 55 ILE HA H 4.685 . . 455 . 55 ILE HB H 1.703 . . 456 . 55 ILE HG13 H 0.715 . . 457 . 55 ILE HG12 H 0.715 . . 458 . 55 ILE HG2 H 0.638 . . 459 . 55 ILE H H 9.890 . . 460 . 55 ILE N N 130.411 . . 461 . 56 ARG C C 175.788 . . 462 . 56 ARG CA C 55.120 . . 463 . 56 ARG HA H 4.762 . . 464 . 56 ARG HB3 H 1.670 . . 465 . 56 ARG HB2 H 1.670 . . 466 . 56 ARG HD3 H 3.279 . . 467 . 56 ARG HD2 H 3.279 . . 468 . 56 ARG HE H 9.596 . . 469 . 56 ARG HG3 H 1.424 . . 470 . 56 ARG HG2 H 1.424 . . 471 . 56 ARG H H 9.294 . . 472 . 56 ARG N N 131.834 . . 473 . 56 ARG NE N 125.854 . . 474 . 57 GLN C C 175.873 . . 475 . 57 GLN CA C 56.943 . . 476 . 57 GLN CB C 26.906 . . 477 . 57 GLN HA H 3.866 . . 478 . 57 GLN HB3 H 2.297 . . 479 . 57 GLN HB2 H 2.059 . . 480 . 57 GLN HE21 H 7.471 . . 481 . 57 GLN HE22 H 7.069 . . 482 . 57 GLN HG3 H 2.352 . . 483 . 57 GLN HG2 H 2.352 . . 484 . 57 GLN H H 9.396 . . 485 . 57 GLN N N 128.438 . . 486 . 57 GLN NE2 N 116.971 . . 487 . 58 GLY C C 173.403 . . 488 . 58 GLY CA C 45.472 . . 489 . 58 GLY HA3 H 4.133 . . 490 . 58 GLY HA2 H 3.422 . . 491 . 58 GLY H H 8.099 . . 492 . 58 GLY N N 103.541 . . 493 . 59 ILE C C 175.203 . . 494 . 59 ILE CA C 59.002 . . 495 . 59 ILE HA H 4.295 . . 496 . 59 ILE HB H 1.952 . . 497 . 59 ILE HG13 H 1.441 . . 498 . 59 ILE HG12 H 1.217 . . 499 . 59 ILE HG2 H 0.821 . . 500 . 59 ILE H H 7.619 . . 501 . 59 ILE N N 123.083 . . 502 . 60 VAL C C 176.338 . . 503 . 60 VAL CA C 63.709 . . 504 . 60 VAL HA H 4.105 . . 505 . 60 VAL HB H 2.007 . . 506 . 60 VAL HG1 H 0.899 . . 507 . 60 VAL HG2 H 0.795 . . 508 . 60 VAL H H 8.621 . . 509 . 60 VAL N N 128.239 . . 510 . 61 VAL C C 175.686 . . 511 . 61 VAL CA C 62.463 . . 512 . 61 VAL CG1 C 21.047 . . 513 . 61 VAL HA H 4.267 . . 514 . 61 VAL HB H 2.129 . . 515 . 61 VAL HG1 H 1.056 . . 516 . 61 VAL HG2 H 0.897 . . 517 . 61 VAL H H 9.064 . . 518 . 61 VAL N N 127.515 . . 519 . 62 TYR C C 172.100 . . 520 . 62 TYR CA C 58.909 . . 521 . 62 TYR CB C 42.088 . . 522 . 62 TYR HA H 4.348 . . 523 . 62 TYR HB3 H 2.589 . . 524 . 62 TYR HB2 H 1.645 . . 525 . 62 TYR HD1 H 6.431 . . 526 . 62 TYR HD2 H 6.431 . . 527 . 62 TYR HE1 H 6.635 . . 528 . 62 TYR HE2 H 6.635 . . 529 . 62 TYR H H 7.407 . . 530 . 62 TYR N N 120.384 . . 531 . 63 GLU C C 174.381 . . 532 . 63 GLU CA C 54.866 . . 533 . 63 GLU CB C 32.117 . . 534 . 63 GLU HA H 4.971 . . 535 . 63 GLU HB3 H 1.874 . . 536 . 63 GLU HB2 H 1.668 . . 537 . 63 GLU HG3 H 2.143 . . 538 . 63 GLU HG2 H 2.057 . . 539 . 63 GLU H H 6.726 . . 540 . 63 GLU N N 127.842 . . 541 . 64 GLY C C 172.582 . . 542 . 64 GLY CA C 46.240 . . 543 . 64 GLY HA3 H 4.122 . . 544 . 64 GLY HA2 H 3.933 . . 545 . 64 GLY H H 8.713 . . 546 . 64 GLY N N 111.038 . . 547 . 65 GLU C C 175.167 . . 548 . 65 GLU CA C 55.181 . . 549 . 65 GLU CB C 33.601 . . 550 . 65 GLU HA H 4.892 . . 551 . 65 GLU HB3 H 2.141 . . 552 . 65 GLU HB2 H 1.915 . . 553 . 65 GLU HG3 H 2.216 . . 554 . 65 GLU HG2 H 2.216 . . 555 . 65 GLU H H 8.589 . . 556 . 65 GLU N N 124.262 . . 557 . 66 ILE C C 175.340 . . 558 . 66 ILE CA C 61.917 . . 559 . 66 ILE HA H 4.145 . . 560 . 66 ILE HB H 2.002 . . 561 . 66 ILE HG13 H 1.678 . . 562 . 66 ILE HG12 H 1.678 . . 563 . 66 ILE HG2 H 0.939 . . 564 . 66 ILE H H 8.410 . . 565 . 66 ILE N N 123.743 . . 566 . 67 ASP C C 174.613 . . 567 . 67 ASP CA C 54.420 . . 568 . 67 ASP CB C 42.506 . . 569 . 67 ASP HA H 4.896 . . 570 . 67 ASP HB3 H 2.705 . . 571 . 67 ASP HB2 H 2.192 . . 572 . 67 ASP H H 8.905 . . 573 . 67 ASP N N 127.570 . . 574 . 68 SER C C 170.989 . . 575 . 68 SER CA C 57.962 . . 576 . 68 SER CB C 65.628 . . 577 . 68 SER HA H 4.442 . . 578 . 68 SER HB3 H 3.769 . . 579 . 68 SER HB2 H 3.682 . . 580 . 68 SER H H 7.603 . . 581 . 68 SER N N 114.048 . . 582 . 69 LEU C C 174.131 . . 583 . 69 LEU CA C 54.988 . . 584 . 69 LEU CB C 45.371 . . 585 . 69 LEU HA H 4.936 . . 586 . 69 LEU HB3 H 1.938 . . 587 . 69 LEU HB2 H 1.938 . . 588 . 69 LEU HD1 H 0.463 . . 589 . 69 LEU HD2 H 0.463 . . 590 . 69 LEU HG H 1.119 . . 591 . 69 LEU H H 8.270 . . 592 . 69 LEU N N 124.998 . . 593 . 70 LYS C C 176.469 . . 594 . 70 LYS CA C 54.794 . . 595 . 70 LYS CB C 38.435 . . 596 . 70 LYS HA H 5.323 . . 597 . 70 LYS HB3 H 1.467 . . 598 . 70 LYS HB2 H 1.467 . . 599 . 70 LYS H H 9.085 . . 600 . 70 LYS N N 125.587 . . 601 . 71 ARG C C 175.826 . . 602 . 71 ARG CA C 55.988 . . 603 . 71 ARG CB C 31.677 . . 604 . 71 ARG HA H 4.386 . . 605 . 71 ARG HB3 H 1.718 . . 606 . 71 ARG HB2 H 1.524 . . 607 . 71 ARG H H 8.430 . . 608 . 71 ARG N N 121.825 . . 609 . 72 TYR C C 175.219 . . 610 . 72 TYR CA C 59.593 . . 611 . 72 TYR CB C 35.165 . . 612 . 72 TYR HA H 4.035 . . 613 . 72 TYR HB3 H 3.321 . . 614 . 72 TYR HB2 H 3.187 . . 615 . 72 TYR HD1 H 7.100 . . 616 . 72 TYR HD2 H 7.100 . . 617 . 72 TYR HE1 H 6.865 . . 618 . 72 TYR HE2 H 6.865 . . 619 . 72 TYR H H 8.924 . . 620 . 72 TYR N N 126.079 . . 621 . 73 LYS C C 176.168 . . 622 . 73 LYS CA C 57.080 . . 623 . 73 LYS CB C 32.388 . . 624 . 73 LYS HA H 4.142 . . 625 . 73 LYS HB3 H 1.908 . . 626 . 73 LYS HB2 H 1.824 . . 627 . 73 LYS HD3 H 1.590 . . 628 . 73 LYS HD2 H 1.590 . . 629 . 73 LYS HE3 H 2.925 . . 630 . 73 LYS HE2 H 2.925 . . 631 . 73 LYS HG3 H 1.257 . . 632 . 73 LYS HG2 H 1.264 . . 633 . 73 LYS H H 8.096 . . 634 . 73 LYS N N 120.251 . . 635 . 74 ASP C C 175.167 . . 636 . 74 ASP CA C 56.005 . . 637 . 74 ASP CB C 42.615 . . 638 . 74 ASP HA H 4.850 . . 639 . 74 ASP HB3 H 2.622 . . 640 . 74 ASP HB2 H 2.622 . . 641 . 74 ASP H H 7.997 . . 642 . 74 ASP N N 121.768 . . 643 . 75 ASP C C 176.272 . . 644 . 75 ASP CA C 55.540 . . 645 . 75 ASP CB C 41.816 . . 646 . 75 ASP HA H 4.948 . . 647 . 75 ASP HB3 H 2.659 . . 648 . 75 ASP HB2 H 2.490 . . 649 . 75 ASP H H 8.451 . . 650 . 75 ASP N N 123.959 . . 651 . 76 VAL C C 175.058 . . 652 . 76 VAL CA C 59.318 . . 653 . 76 VAL CB C 35.624 . . 654 . 76 VAL CG2 C 19.118 . . 655 . 76 VAL HA H 4.778 . . 656 . 76 VAL HB H 2.213 . . 657 . 76 VAL HG1 H 0.896 . . 658 . 76 VAL HG2 H 0.474 . . 659 . 76 VAL H H 8.243 . . 660 . 76 VAL N N 116.808 . . 661 . 77 ARG C C 176.392 . . 662 . 77 ARG CA C 57.626 . . 663 . 77 ARG CB C 31.238 . . 664 . 77 ARG HA H 4.137 . . 665 . 77 ARG HB3 H 1.908 . . 666 . 77 ARG HB2 H 1.790 . . 667 . 77 ARG HD3 H 3.186 . . 668 . 77 ARG HD2 H 3.186 . . 669 . 77 ARG HE H 7.261 . . 670 . 77 ARG HG3 H 1.690 . . 671 . 77 ARG HG2 H 1.648 . . 672 . 77 ARG H H 8.502 . . 673 . 77 ARG N N 120.492 . . 674 . 77 ARG NE N 136.162 . . 675 . 78 GLU C C 173.650 . . 676 . 78 GLU CA C 54.505 . . 677 . 78 GLU CB C 33.344 . . 678 . 78 GLU HA H 5.078 . . 679 . 78 GLU HB3 H 1.892 . . 680 . 78 GLU HB2 H 1.699 . . 681 . 78 GLU HG3 H 1.979 . . 682 . 78 GLU HG2 H 1.979 . . 683 . 78 GLU H H 7.398 . . 684 . 78 GLU N N 114.989 . . 685 . 79 VAL C C 173.241 . . 686 . 79 VAL CA C 62.202 . . 687 . 79 VAL CB C 34.561 . . 688 . 79 VAL HA H 3.989 . . 689 . 79 VAL HB H 1.634 . . 690 . 79 VAL HG1 H 0.854 . . 691 . 79 VAL HG2 H 0.669 . . 692 . 79 VAL H H 8.601 . . 693 . 79 VAL N N 121.851 . . 694 . 80 ALA C C 175.531 . . 695 . 80 ALA CA C 51.026 . . 696 . 80 ALA CB C 21.972 . . 697 . 80 ALA HA H 4.728 . . 698 . 80 ALA HB H 1.481 . . 699 . 80 ALA H H 7.978 . . 700 . 80 ALA N N 130.171 . . 701 . 81 GLN C C 175.849 . . 702 . 81 GLN CA C 56.590 . . 703 . 81 GLN CB C 28.710 . . 704 . 81 GLN HB3 H 2.037 . . 705 . 81 GLN HB2 H 1.951 . . 706 . 81 GLN HE21 H 7.288 . . 707 . 81 GLN HE22 H 6.829 . . 708 . 81 GLN HG3 H 2.213 . . 709 . 81 GLN HG2 H 2.213 . . 710 . 81 GLN H H 7.351 . . 711 . 81 GLN N N 116.610 . . 712 . 81 GLN NE2 N 112.800 . . 713 . 82 GLY C C 173.509 . . 714 . 82 GLY HA3 H 4.070 . . 715 . 82 GLY HA2 H 3.579 . . 716 . 82 GLY H H 8.715 . . 717 . 82 GLY N N 112.211 . . 718 . 83 TYR C C 174.246 . . 719 . 83 TYR CA C 57.159 . . 720 . 83 TYR HA H 4.731 . . 721 . 83 TYR HB3 H 3.033 . . 722 . 83 TYR HB2 H 2.902 . . 723 . 83 TYR HD1 H 7.172 . . 724 . 83 TYR HD2 H 7.172 . . 725 . 83 TYR HE1 H 6.850 . . 726 . 83 TYR HE2 H 6.850 . . 727 . 83 TYR H H 7.341 . . 728 . 83 TYR N N 118.995 . . 729 . 84 GLU C C 176.154 . . 730 . 84 GLU CA C 54.664 . . 731 . 84 GLU CB C 32.161 . . 732 . 84 GLU HA H 5.470 . . 733 . 84 GLU HB3 H 2.051 . . 734 . 84 GLU HB2 H 2.208 . . 735 . 84 GLU HG3 H 2.531 . . 736 . 84 GLU HG2 H 2.414 . . 737 . 84 GLU H H 8.227 . . 738 . 84 GLU N N 119.417 . . 739 . 85 CYS C C 172.381 . . 740 . 85 CYS CA C 56.135 . . 741 . 85 CYS CB C 32.525 . . 742 . 85 CYS HA H 5.243 . . 743 . 85 CYS HB3 H 2.994 . . 744 . 85 CYS HB2 H 2.928 . . 745 . 85 CYS H H 8.703 . . 746 . 85 CYS N N 114.446 . . 747 . 86 GLY C C 174.131 . . 748 . 86 GLY CA C 44.149 . . 749 . 86 GLY HA3 H 5.440 . . 750 . 86 GLY HA2 H 3.395 . . 751 . 86 GLY H H 9.014 . . 752 . 86 GLY N N 110.196 . . 753 . 87 LEU C C 175.012 . . 754 . 87 LEU CA C 54.337 . . 755 . 87 LEU CB C 46.739 . . 756 . 87 LEU HA H 5.262 . . 757 . 87 LEU HB3 H 1.838 . . 758 . 87 LEU HB2 H 1.838 . . 759 . 87 LEU HD1 H 0.701 . . 760 . 87 LEU HD2 H 0.701 . . 761 . 87 LEU HG H 1.770 . . 762 . 87 LEU H H 9.095 . . 763 . 87 LEU N N 126.246 . . 764 . 88 THR C C 173.784 . . 765 . 88 THR CA C 59.287 . . 766 . 88 THR HA H 4.776 . . 767 . 88 THR HB H 4.375 . . 768 . 88 THR HG2 H 1.154 . . 769 . 88 THR H H 8.256 . . 770 . 88 THR N N 112.415 . . 771 . 89 ILE C C 175.677 . . 772 . 89 ILE CA C 60.302 . . 773 . 89 ILE CB C 39.097 . . 774 . 89 ILE HA H 4.788 . . 775 . 89 ILE HB H 1.954 . . 776 . 89 ILE HD1 H 0.821 . . 777 . 89 ILE HG13 H 1.220 . . 778 . 89 ILE HG12 H 1.220 . . 779 . 89 ILE HG2 H 0.940 . . 780 . 89 ILE H H 9.495 . . 781 . 89 ILE N N 125.716 . . 782 . 90 LYS C C 177.165 . . 783 . 90 LYS CA C 58.463 . . 784 . 90 LYS CB C 32.943 . . 785 . 90 LYS HA H 3.963 . . 786 . 90 LYS HB3 H 1.839 . . 787 . 90 LYS HB2 H 2.075 . . 788 . 90 LYS HD3 H 1.674 . . 789 . 90 LYS HD2 H 1.674 . . 790 . 90 LYS HE3 H 2.972 . . 791 . 90 LYS HE2 H 2.972 . . 792 . 90 LYS HG3 H 1.553 . . 793 . 90 LYS HG2 H 1.347 . . 794 . 90 LYS H H 8.602 . . 795 . 90 LYS N N 128.597 . . 796 . 91 ASN C C 173.771 . . 797 . 91 ASN CA C 54.770 . . 798 . 91 ASN CB C 37.977 . . 799 . 91 ASN HA H 4.393 . . 800 . 91 ASN HB3 H 3.206 . . 801 . 91 ASN HB2 H 2.988 . . 802 . 91 ASN HD21 H 7.612 . . 803 . 91 ASN HD22 H 6.919 . . 804 . 91 ASN H H 9.179 . . 805 . 91 ASN N N 121.685 . . 806 . 91 ASN ND2 N 114.247 . . 807 . 92 PHE C C 173.288 . . 808 . 92 PHE CA C 59.916 . . 809 . 92 PHE CB C 42.194 . . 810 . 92 PHE HA H 4.350 . . 811 . 92 PHE HB3 H 2.283 . . 812 . 92 PHE HB2 H 2.165 . . 813 . 92 PHE HD1 H 6.543 . . 814 . 92 PHE HD2 H 6.543 . . 815 . 92 PHE HE1 H 7.050 . . 816 . 92 PHE HE2 H 7.050 . . 817 . 92 PHE H H 7.494 . . 818 . 92 PHE HZ H 7.178 . . 819 . 92 PHE N N 119.694 . . 820 . 93 ASN C C 175.173 . . 821 . 93 ASN CB C 41.035 . . 822 . 93 ASN HA H 4.828 . . 823 . 93 ASN HB3 H 2.737 . . 824 . 93 ASN HB2 H 2.481 . . 825 . 93 ASN H H 8.121 . . 826 . 93 ASN N N 123.401 . . 827 . 94 ASP C C 172.712 . . 828 . 94 ASP CA C 53.537 . . 829 . 94 ASP CB C 39.335 . . 830 . 94 ASP HA H 4.602 . . 831 . 94 ASP HB3 H 2.550 . . 832 . 94 ASP HB2 H 1.957 . . 833 . 94 ASP H H 5.430 . . 834 . 94 ASP N N 123.796 . . 835 . 95 ILE C C 174.171 . . 836 . 95 ILE CA C 60.404 . . 837 . 95 ILE CB C 41.056 . . 838 . 95 ILE HA H 4.022 . . 839 . 95 ILE HB H 1.298 . . 840 . 95 ILE HG2 H 0.906 . . 841 . 95 ILE H H 7.049 . . 842 . 95 ILE N N 122.135 . . 843 . 96 LYS C C 175.199 . . 844 . 96 LYS CA C 54.750 . . 845 . 96 LYS CB C 36.385 . . 846 . 96 LYS HA H 4.580 . . 847 . 96 LYS HB3 H 1.765 . . 848 . 96 LYS HB2 H 1.691 . . 849 . 96 LYS HG3 H 1.304 . . 850 . 96 LYS HG2 H 1.316 . . 851 . 96 LYS H H 9.132 . . 852 . 96 LYS N N 128.986 . . 853 . 97 GLU C C 177.767 . . 854 . 97 GLU CA C 58.885 . . 855 . 97 GLU CB C 28.611 . . 856 . 97 GLU HA H 3.560 . . 857 . 97 GLU H H 8.718 . . 858 . 97 GLU N N 122.356 . . 859 . 98 GLY C C 174.951 . . 860 . 98 GLY CA C 44.924 . . 861 . 98 GLY HA3 H 4.482 . . 862 . 98 GLY HA2 H 3.695 . . 863 . 98 GLY H H 9.061 . . 864 . 98 GLY N N 116.053 . . 865 . 99 ASP C C 174.325 . . 866 . 99 ASP CA C 55.866 . . 867 . 99 ASP CB C 41.406 . . 868 . 99 ASP HA H 4.789 . . 869 . 99 ASP HB3 H 2.676 . . 870 . 99 ASP HB2 H 2.547 . . 871 . 99 ASP H H 8.054 . . 872 . 99 ASP N N 124.856 . . 873 . 100 VAL C C 174.666 . . 874 . 100 VAL CA C 61.317 . . 875 . 100 VAL CB C 35.219 . . 876 . 100 VAL HA H 4.812 . . 877 . 100 VAL HB H 1.962 . . 878 . 100 VAL HG1 H 1.045 . . 879 . 100 VAL HG2 H 0.935 . . 880 . 100 VAL H H 8.950 . . 881 . 100 VAL N N 121.827 . . 882 . 101 ILE C C 174.690 . . 883 . 101 ILE CA C 59.174 . . 884 . 101 ILE CB C 40.554 . . 885 . 101 ILE HA H 4.923 . . 886 . 101 ILE HB H 1.638 . . 887 . 101 ILE HD1 H 0.686 . . 888 . 101 ILE HG13 H 0.978 . . 889 . 101 ILE HG12 H 1.449 . . 890 . 101 ILE HG2 H 0.712 . . 891 . 101 ILE H H 9.233 . . 892 . 101 ILE N N 127.069 . . 893 . 102 GLU C C 174.377 . . 894 . 102 GLU CA C 54.873 . . 895 . 102 GLU HA H 5.091 . . 896 . 102 GLU HB3 H 2.160 . . 897 . 102 GLU HB2 H 1.968 . . 898 . 102 GLU HG3 H 2.334 . . 899 . 102 GLU HG2 H 2.373 . . 900 . 102 GLU H H 9.191 . . 901 . 102 GLU N N 128.905 . . 902 . 103 ALA C C 176.612 . . 903 . 103 ALA CA C 50.157 . . 904 . 103 ALA CB C 21.082 . . 905 . 103 ALA HA H 5.665 . . 906 . 103 ALA HB H 1.404 . . 907 . 103 ALA H H 8.820 . . 908 . 103 ALA N N 130.868 . . 909 . 104 TYR C C 171.793 . . 910 . 104 TYR CA C 55.922 . . 911 . 104 TYR HA H 5.611 . . 912 . 104 TYR HB3 H 2.782 . . 913 . 104 TYR HB2 H 2.716 . . 914 . 104 TYR HD1 H 6.666 . . 915 . 104 TYR HD2 H 6.666 . . 916 . 104 TYR HE1 H 6.440 . . 917 . 104 TYR HE2 H 6.440 . . 918 . 104 TYR H H 9.310 . . 919 . 104 TYR N N 122.216 . . 920 . 105 VAL C C 174.800 . . 921 . 105 VAL CA C 58.825 . . 922 . 105 VAL HA H 4.631 . . 923 . 105 VAL HB H 2.082 . . 924 . 105 VAL HG1 H 0.847 . . 925 . 105 VAL HG2 H 0.847 . . 926 . 105 VAL H H 8.743 . . 927 . 105 VAL N N 113.745 . . 928 . 106 MET C C 176.095 . . 929 . 106 MET CA C 53.431 . . 930 . 106 MET HA H 5.264 . . 931 . 106 MET HB3 H 1.913 . . 932 . 106 MET HB2 H 1.729 . . 933 . 106 MET HG3 H 2.572 . . 934 . 106 MET HG2 H 2.398 . . 935 . 106 MET H H 8.427 . . 936 . 106 MET N N 120.919 . . 937 . 107 GLN C C 174.671 . . 938 . 107 GLN CA C 54.463 . . 939 . 107 GLN HA H 4.758 . . 940 . 107 GLN HB3 H 2.047 . . 941 . 107 GLN HB2 H 1.960 . . 942 . 107 GLN HE21 H 7.498 . . 943 . 107 GLN HE22 H 6.759 . . 944 . 107 GLN HG3 H 2.282 . . 945 . 107 GLN HG2 H 2.282 . . 946 . 107 GLN H H 9.058 . . 947 . 107 GLN N N 124.540 . . 948 . 107 GLN NE2 N 112.830 . . 949 . 108 GLU C C 176.460 . . 950 . 108 GLU CA C 56.902 . . 951 . 108 GLU HA H 4.213 . . 952 . 108 GLU HB3 H 1.871 . . 953 . 108 GLU HB2 H 1.871 . . 954 . 108 GLU HG3 H 2.131 . . 955 . 108 GLU HG2 H 2.131 . . 956 . 108 GLU H H 8.834 . . 957 . 108 GLU N N 127.069 . . 958 . 109 VAL C C 175.377 . . 959 . 109 VAL CA C 62.317 . . 960 . 109 VAL CB C 32.963 . . 961 . 109 VAL CG1 C 21.177 . . 962 . 109 VAL CG2 C 20.822 . . 963 . 109 VAL HA H 3.943 . . 964 . 109 VAL HB H 1.848 . . 965 . 109 VAL HG1 H 0.821 . . 966 . 109 VAL HG2 H 0.771 . . 967 . 109 VAL H H 8.233 . . 968 . 109 VAL N N 125.558 . . 969 . 110 ALA C C 177.200 . . 970 . 110 ALA CA C 52.295 . . 971 . 110 ALA CB C 19.291 . . 972 . 110 ALA HA H 4.303 . . 973 . 110 ALA HB H 1.328 . . 974 . 110 ALA H H 8.272 . . 975 . 110 ALA N N 129.538 . . 976 . 111 ARG C C 174.912 . . 977 . 111 ARG CA C 55.855 . . 978 . 111 ARG CB C 31.112 . . 979 . 111 ARG HA H 4.301 . . 980 . 111 ARG HB3 H 1.829 . . 981 . 111 ARG HB2 H 1.710 . . 982 . 111 ARG HD3 H 3.157 . . 983 . 111 ARG HD2 H 3.157 . . 984 . 111 ARG HE H 7.192 . . 985 . 111 ARG HG3 H 1.591 . . 986 . 111 ARG HG2 H 1.591 . . 987 . 111 ARG H H 8.209 . . 988 . 111 ARG N N 123.016 . . 989 . 111 ARG NE N 126.092 . . 990 . 112 ALA CA C 53.749 . . 991 . 112 ALA CB C 20.251 . . 992 . 112 ALA HA H 4.092 . . 993 . 112 ALA HB H 1.294 . . 994 . 112 ALA H H 7.872 . . 995 . 112 ALA N N 132.223 . . stop_ save_ save_T1_set_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions _Spectrometer_frequency_1H . _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'IF2 C-2' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 15 GLU N 0.5827 0.0052 2 17 LYS N 0.5061 0.0070 3 18 VAL N 0.5284 0.0136 4 19 ILE N 0.4798 0.0063 5 20 GLY N 0.4741 0.0082 6 21 GLN N 0.4960 0.0095 7 22 ALA N 0.5089 0.0074 8 23 GLU N 0.4964 0.0103 9 24 VAL N 0.5062 0.0078 10 25 ARG N 0.4943 0.0043 11 26 GLN N 0.5337 0.0110 12 27 THR N 0.5627 0.0105 13 28 PHE N 0.5424 0.0129 14 29 LYS N 0.5722 0.0100 15 30 VAL N 0.5865 0.0104 16 31 SER N 0.4884 0.0206 17 32 LYS N 0.5099 0.0125 18 34 GLY N 0.5877 0.0087 19 35 THR N 0.5739 0.0124 20 36 ILE N 0.5433 0.0145 21 37 ALA N 0.5018 0.0098 22 38 GLY N 0.4810 0.0094 23 39 CYS N 0.5006 0.0058 24 40 TYR N 0.4856 0.0109 25 41 VAL N 0.4887 0.0156 26 42 THR N 0.4766 0.0515 27 43 ASP N 0.4880 0.0076 28 44 GLY N 0.5244 0.0070 29 45 LYS N 0.5198 0.0046 30 46 ILE N 0.5235 0.0067 31 47 THR N 0.4908 0.0090 32 48 ARG N 0.4876 0.0039 33 49 ASP N 0.4704 0.0109 34 50 SER N 0.5503 0.0105 35 51 LYS N 0.5288 0.0076 36 52 VAL N 0.4779 0.0065 37 53 ARG N 0.4848 0.0057 38 54 LEU N 0.5048 0.0134 39 55 ILE N 0.4906 0.0068 40 56 ARG N 0.5262 0.0076 41 57 GLN N 0.5257 0.0139 42 58 GLY N 0.5389 0.0055 43 59 ILE N 0.5654 0.0130 44 60 VAL N 0.5636 0.0108 45 61 VAL N 0.5067 0.0088 46 62 TYR N 0.4802 0.0092 47 63 GLU N 0.5093 0.0065 48 64 GLY N 0.5022 0.0102 49 65 GLU N 0.5343 0.0105 50 67 ASP N 0.5495 0.0091 51 68 SER N 0.5328 0.0115 52 69 LEU N 0.5010 0.0085 53 71 ARG N 0.4959 0.0076 54 72 TYR N 0.4994 0.0061 55 74 ASP N 0.5068 0.0115 56 76 VAL N 0.4999 0.0092 57 77 ARG N 0.4997 0.0078 58 78 GLU N 0.5907 0.0120 59 79 VAL N 0.5267 0.0060 60 80 ALA N 0.5308 0.0103 61 81 GLN N 0.5961 0.0085 62 82 GLY N 0.4801 0.0054 63 83 TYR N 0.5416 0.0079 64 84 GLU N 0.5256 0.0112 65 85 CYS N 0.4855 0.0088 66 86 GLY N 0.4714 0.0095 67 88 THR N 0.4942 0.0080 68 89 ILE N 0.5017 0.0095 69 90 LYS N 0.5035 0.0065 70 91 ASN N 0.5166 0.0109 71 92 PHE N 0.5068 0.0102 72 93 ASN N 0.5357 0.0148 73 94 ASP N 0.5118 0.0125 74 95 ILE N 0.5704 0.0103 75 96 LYS N 0.5648 0.0073 76 98 GLY N 0.4856 0.0061 77 99 ASP N 0.5404 0.0064 78 100 VAL N 0.5098 0.0049 79 101 ILE N 0.5143 0.0097 80 102 GLU N 0.4938 0.0073 81 103 ALA N 0.4648 0.0105 82 104 TYR N 0.4957 0.0091 83 105 VAL N 0.4936 0.0069 84 106 MET N 0.5548 0.0082 85 107 GLN N 0.5407 0.0054 86 108 GLU N 0.6143 0.0162 87 109 VAL N 0.5766 0.0110 88 110 ALA N 0.6648 0.0140 89 111 ARG N 0.8356 0.0054 90 112 ALA N 1.3356 0.0662 stop_ save_ save_T2_set_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions _Spectrometer_frequency_1H . _T2_coherence_type Ny _T2_value_units s _Mol_system_component_name 'IF2 C-2' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 15 GLU N 0.1300 0.0032 . . 2 17 LYS N 0.1257 0.0012 . . 3 18 VAL N 0.1157 0.0004 . . 4 19 ILE N 0.1073 0.0014 . . 5 20 GLY N 0.1027 0.0016 . . 6 21 GLN N 0.1053 0.0015 . . 7 22 ALA N 0.1113 0.0010 . . 8 23 GLU N 0.1042 0.0013 . . 9 24 VAL N 0.1011 0.0008 . . 10 25 ARG N 0.1084 0.0058 . . 11 26 GLN N 0.1059 0.0010 . . 12 27 THR N 0.1171 0.0023 . . 13 28 PHE N 0.0953 0.0011 . . 14 29 LYS N 0.1191 0.0006 . . 15 30 VAL N 0.1134 0.0006 . . 16 31 SER N 0.0910 0.0018 . . 17 32 LYS N 0.1303 0.0018 . . 18 34 GLY N 0.1306 0.0006 . . 19 35 THR N 0.1054 0.0011 . . 20 36 ILE N 0.0968 0.0012 . . 21 37 ALA N 0.0955 0.0017 . . 22 38 GLY N 0.1091 0.0011 . . 23 39 CYS N 0.1100 0.0023 . . 24 40 TYR N 0.1033 0.0005 . . 25 41 VAL N 0.0951 0.0016 . . 26 42 THR N 0.0948 0.0015 . . 27 43 ASP N 0.1062 0.0007 . . 28 44 GLY N 0.1294 0.0012 . . 29 45 LYS N 0.0913 0.0039 . . 30 46 ILE N 0.1062 0.0016 . . 31 47 THR N 0.0723 0.0109 . . 32 48 ARG N 0.1075 0.0016 . . 33 49 ASP N 0.1107 0.0012 . . 34 50 SER N 0.1064 0.0012 . . 35 51 LYS N 0.1068 0.0026 . . 36 52 VAL N 0.1182 0.0012 . . 37 53 ARG N 0.1103 0.0007 . . 38 54 LEU N 0.1092 0.0015 . . 39 55 ILE N 0.1119 0.0007 . . 40 56 ARG N 0.1051 0.0055 . . 41 57 GLN N 0.1091 0.0018 . . 42 58 GLY N 0.1096 0.0013 . . 43 59 ILE N 0.0915 0.0020 . . 44 60 VAL N 0.1100 0.0002 . . 45 61 VAL N 0.1079 0.0019 . . 46 62 TYR N 0.1062 0.0024 . . 47 63 GLU N 0.1191 0.0007 . . 48 64 GLY N 0.1164 0.0036 . . 49 65 GLU N 0.1286 0.0011 . . 50 67 ASP N 0.0916 0.0091 . . 51 68 SER N 0.1379 0.0029 . . 52 69 LEU N 0.1217 0.0021 . . 53 71 ARG N 0.1111 0.0016 . . 54 72 TYR N 0.1204 0.0022 . . 55 74 ASP N 0.1169 0.0018 . . 56 76 VAL N 0.1125 0.0012 . . 57 77 ARG N 0.1144 0.0016 . . 58 78 GLU N 0.1303 0.0032 . . 59 79 VAL N 0.0964 0.0008 . . 60 80 ALA N 0.1094 0.0009 . . 61 81 GLN N 0.1108 0.0027 . . 62 82 GLY N 0.1142 0.0017 . . 63 83 TYR N 0.0941 0.0009 . . 64 84 GLU N 0.1142 0.0023 . . 65 85 CYS N 0.1146 0.0028 . . 66 86 GLY N 0.1059 0.0034 . . 67 88 THR N 0.1084 0.0010 . . 68 89 ILE N 0.1000 0.0017 . . 69 90 LYS N 0.1026 0.0026 . . 70 91 ASN N 0.1111 0.0006 . . 71 92 PHE N 0.1081 0.0013 . . 72 93 ASN N 0.1244 0.0019 . . 73 94 ASP N 0.0985 0.0015 . . 74 95 ILE N 0.1141 0.0025 . . 75 96 LYS N 0.1015 0.0014 . . 76 98 GLY N 0.1114 0.0007 . . 77 99 ASP N 0.1169 0.0047 . . 78 100 VAL N 0.1011 0.0026 . . 79 101 ILE N 0.1056 0.0020 . . 80 102 GLU N 0.1167 0.0015 . . 81 103 ALA N 0.1104 0.0020 . . 82 104 TYR N 0.0993 0.0013 . . 83 105 VAL N 0.1074 0.0027 . . 84 106 MET N 0.1116 0.0012 . . 85 107 GLN N 0.1331 0.0030 . . 86 108 GLU N 0.1124 0.0026 . . 87 109 VAL N 0.1548 0.0022 . . 88 110 ALA N 0.2212 0.0188 . . 89 111 ARG N 0.3566 0.0062 . . 90 112 ALA N 0.9669 0.0479 . . stop_ save_ save_heteronuclear_NOE_set_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions _Spectrometer_frequency_1H . _Mol_system_component_name ? _Atom_one_atom_name . _Atom_two_atom_name . _Heteronuclear_NOE_value_type . _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 15 GLU 0.4356 0.0456 17 LYS 0.6498 0.0509 18 VAL 0.7116 0.0390 19 ILE 0.7602 0.0765 20 GLY 0.7431 0.0328 21 GLN 0.7381 0.0346 22 ALA 0.7518 0.0406 23 GLU 0.7307 0.0368 24 VAL 0.7523 0.0321 25 ARG 0.7281 0.0590 26 GLN 0.7168 0.0296 27 THR 0.6923 0.0278 28 PHE 0.7114 0.0378 29 LYS 0.6571 0.0277 30 VAL 0.5758 0.0326 31 SER 0.6158 0.0405 32 LYS 0.4763 0.0309 34 GLY 0.4829 0.0245 35 THR 0.6217 0.0274 36 ILE 0.7981 0.0470 37 ALA 0.7798 0.0432 38 GLY 0.7891 0.0423 39 CYS 0.7666 0.0473 40 TYR 0.7599 0.0423 41 VAL 0.7845 0.0402 42 THR 0.7589 0.0496 43 ASP 0.7051 0.0294 44 GLY 0.7043 0.0275 45 LYS 0.7610 0.0435 46 ILE 0.6988 0.0411 47 THR 0.6956 0.0429 48 ARG 0.7153 0.0299 49 ASP 0.6500 0.0331 50 SER 0.6331 0.0231 51 LYS 0.7176 0.0396 52 VAL 0.7079 0.0396 53 ARG 0.7007 0.0431 54 LEU 0.9070 0.0447 55 ILE 0.7511 0.0433 56 ARG 0.7730 0.0433 57 GLN 0.7331 0.0311 58 GLY 0.6997 0.0274 59 ILE 0.7255 0.0269 60 VAL 0.7437 0.0283 61 VAL 0.7998 0.0489 62 TYR 0.9475 0.0308 63 GLU 0.6561 0.0314 64 GLY 0.7099 0.0283 65 GLU 0.5926 0.0260 67 ASP 0.5379 0.0290 68 SER 0.5811 0.0243 69 LEU 0.7007 0.0313 71 ARG 0.7136 0.0370 72 TYR 0.6751 0.0354 74 ASP 0.6891 0.0267 76 VAL 0.7341 0.0383 77 ARG 0.7279 0.0360 78 GLU 0.5609 0.0185 79 VAL 0.7497 0.0426 80 ALA 0.6851 0.0326 81 GLN 0.6846 0.0244 82 GLY 0.7440 0.0468 83 TYR 0.6909 0.0331 84 GLU 0.6566 0.0353 85 CYS 0.7161 0.0298 86 GLY 0.7118 0.0401 88 THR 0.6670 0.0402 89 ILE 0.7422 0.0493 90 LYS 0.7510 0.0323 91 ASN 0.7379 0.0343 92 PHE 0.6487 0.0199 93 ASN 0.5431 0.0310 94 ASP 0.7383 0.0284 95 ILE 0.6489 0.0279 96 LYS 0.7195 0.0415 98 GLY 0.7360 0.0394 99 ASP 0.6540 0.0240 100 VAL 0.7501 0.0343 101 ILE 0.7592 0.0395 102 GLU 0.7379 0.0507 103 ALA 0.7379 0.0376 104 TYR 0.7464 0.0447 105 VAL 0.7399 0.0467 106 MET 0.6487 0.0381 107 GLN 0.5943 0.0428 108 GLU 0.4463 0.1106 109 VAL 0.3647 0.0295 110 ALA -0.0840 0.0545 111 ARG -0.3951 0.0585 112 ALA -1.3831 0.0290 stop_ save_