data_5833 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Mob1 ; _BMRB_accession_number 5833 _BMRB_flat_file_name bmr5833.str _Entry_type original _Submission_date 2003-06-17 _Accession_date 2003-06-17 _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 Ponchon Luc . . 2 Dumas Christian . . 3 Fesquet Didier . . 4 Padilla Andre . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 820 "13C chemical shifts" 581 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-02-10 original author . stop_ _Original_release_date 2004-02-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Resonance assignments and topology of the 15N, 13C labelled 23 kDa core domain of Xenopus Mob1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14752264 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ponchon Luc . . 2 Dumas Christian . . 3 Fesquet Didier . . 4 Padilla Andre . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 28 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 299 _Page_last 300 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_mob1 _Saveframe_category molecular_system _Mol_system_name mob1 _Abbreviation_common mob1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mob1 monomer' $mob1_monomer 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_mob1_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'xenopus laevis mob1' _Abbreviation_common Xlmob1 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 202 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSA TLGSGNLRQAVMLPEGEDLN EWIAVNTVDFFNQINMLYGT ITEFCTESTCSVMSAGPRYE YHWADGTNIKKPIKCSAPKY IDYLMTWVQDQLDDETLFPS KIGVPFPKNFMSVAKTILKR LFRVYAHIYHQHFDAVMQLQ EEAHLNTSFKHFIFFVQEFN LIDRRELAPLQELIEKLGSK DR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 ALA 21 THR 22 LEU 23 GLY 24 SER 25 GLY 26 ASN 27 LEU 28 ARG 29 GLN 30 ALA 31 VAL 32 MET 33 LEU 34 PRO 35 GLU 36 GLY 37 GLU 38 ASP 39 LEU 40 ASN 41 GLU 42 TRP 43 ILE 44 ALA 45 VAL 46 ASN 47 THR 48 VAL 49 ASP 50 PHE 51 PHE 52 ASN 53 GLN 54 ILE 55 ASN 56 MET 57 LEU 58 TYR 59 GLY 60 THR 61 ILE 62 THR 63 GLU 64 PHE 65 CYS 66 THR 67 GLU 68 SER 69 THR 70 CYS 71 SER 72 VAL 73 MET 74 SER 75 ALA 76 GLY 77 PRO 78 ARG 79 TYR 80 GLU 81 TYR 82 HIS 83 TRP 84 ALA 85 ASP 86 GLY 87 THR 88 ASN 89 ILE 90 LYS 91 LYS 92 PRO 93 ILE 94 LYS 95 CYS 96 SER 97 ALA 98 PRO 99 LYS 100 TYR 101 ILE 102 ASP 103 TYR 104 LEU 105 MET 106 THR 107 TRP 108 VAL 109 GLN 110 ASP 111 GLN 112 LEU 113 ASP 114 ASP 115 GLU 116 THR 117 LEU 118 PHE 119 PRO 120 SER 121 LYS 122 ILE 123 GLY 124 VAL 125 PRO 126 PHE 127 PRO 128 LYS 129 ASN 130 PHE 131 MET 132 SER 133 VAL 134 ALA 135 LYS 136 THR 137 ILE 138 LEU 139 LYS 140 ARG 141 LEU 142 PHE 143 ARG 144 VAL 145 TYR 146 ALA 147 HIS 148 ILE 149 TYR 150 HIS 151 GLN 152 HIS 153 PHE 154 ASP 155 ALA 156 VAL 157 MET 158 GLN 159 LEU 160 GLN 161 GLU 162 GLU 163 ALA 164 HIS 165 LEU 166 ASN 167 THR 168 SER 169 PHE 170 LYS 171 HIS 172 PHE 173 ILE 174 PHE 175 PHE 176 VAL 177 GLN 178 GLU 179 PHE 180 ASN 181 LEU 182 ILE 183 ASP 184 ARG 185 ARG 186 GLU 187 LEU 188 ALA 189 PRO 190 LEU 191 GLN 192 GLU 193 LEU 194 ILE 195 GLU 196 LYS 197 LEU 198 GLY 199 SER 200 LYS 201 ASP 202 ARG 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 1PI1 "Crystal Structure Of A Human Mob1 Protein; Toward Understanding Mob-Regulated Cell Cycle Pathways" 90.59 185 97.81 99.45 1.81e-132 PDB 1R3B "Solution Structure Of Xenopus Laevis Mob1" 100.00 202 100.00 100.00 2.22e-150 PDB 4J1V "Functional And Structural Studies Of Mobkl1b, A Salvador/warts/hippo Tumor Suppressor Pathway, In Hcv Replication" 90.59 184 97.81 99.45 1.85e-132 PDB 4JIZ "Human Mob1-phosphopeptide Complex" 85.15 172 97.67 99.42 1.73e-123 GB ELK18394 "Mps one binder kinase activator-like 1B [Pteropus alecto]" 84.65 171 97.66 99.42 5.11e-123 GB KFO30162 "Mps one binder kinase activator-like 1B [Fukomys damarensis]" 84.65 171 97.66 99.42 5.11e-123 REF XP_005286564 "PREDICTED: MOB kinase activator 1A [Chrysemys picta bellii]" 84.65 171 97.66 99.42 5.11e-123 REF XP_006905252 "PREDICTED: MOB kinase activator 1A [Pteropus alecto]" 84.65 171 97.66 99.42 5.11e-123 REF XP_007067503 "PREDICTED: MOB kinase activator 1A [Chelonia mydas]" 84.65 171 97.66 99.42 5.11e-123 REF XP_008159787 "PREDICTED: MOB kinase activator 1A [Eptesicus fuscus]" 72.77 147 97.28 99.32 2.96e-103 REF XP_008531903 "PREDICTED: MOB kinase activator 1A [Equus przewalskii]" 84.65 171 97.66 99.42 5.11e-123 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mob1_monomer 'African clawed frog' 8355 Eukaryota Metazoa Xenopus laevis 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 $mob1_monomer '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 _Concentration_max_value _Isotopic_labeling $mob1_monomer . mM 1 '[U-98% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_max_value _Isotopic_labeling $mob1_monomer . mM 1 '[U-99% 13C; U-98% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model UNITY _Field_strength 800 _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.5 . M pH 8.0 0.2 n/a temperature 300 3 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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 $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'mob1 monomer' _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 . 15 VAL N N 122.1 0.25 1 2 . 15 VAL H H 7.97 0.02 1 3 . 15 VAL CA C 59.8 0.15 1 4 . 15 VAL HA H 4.33 0.02 1 5 . 15 VAL CB C 32.5 0.15 1 6 . 15 VAL HB H 2.02 0.02 1 7 . 15 VAL HG1 H 0.89 0.02 2 8 . 15 VAL HG2 H 0.86 0.02 2 9 . 15 VAL CG1 C 21.0 0.15 1 10 . 15 VAL CG2 C 20.8 0.15 1 11 . 15 VAL C C 173.9 0.15 1 12 . 16 PRO CD C 50.8 0.15 1 13 . 16 PRO CA C 64.4 0.15 1 14 . 16 PRO HA H 4.26 0.02 1 15 . 16 PRO HB2 H 1.87 0.02 2 16 . 16 PRO HB3 H 2.31 0.02 2 17 . 16 PRO HG2 H 1.83 0.02 2 18 . 16 PRO HG3 H 1.99 0.02 2 19 . 16 PRO HD2 H 3.61 0.02 2 20 . 16 PRO HD3 H 3.79 0.02 2 21 . 20 ALA CA C 52.9 0.15 1 22 . 20 ALA HA H 4.33 0.02 1 23 . 20 ALA HB H 1.42 0.02 1 24 . 20 ALA CB C 19.1 0.15 1 25 . 26 ASN CA C 53.6 0.15 1 26 . 26 ASN C C 176.2 0.15 1 27 . 27 LEU N N 125.1 0.25 1 28 . 27 LEU H H 9.19 0.02 1 29 . 27 LEU CA C 57.9 0.15 1 30 . 27 LEU HA H 4.14 0.02 1 31 . 27 LEU CB C 42.6 0.15 1 32 . 27 LEU HB2 H 1.51 0.02 2 33 . 27 LEU HB3 H 1.84 0.02 2 34 . 27 LEU CG C 27.0 0.15 1 35 . 27 LEU HG H 1.69 0.02 1 36 . 27 LEU HD1 H 0.81 0.02 2 37 . 27 LEU HD2 H 0.53 0.02 2 38 . 27 LEU CD1 C 25.1 0.15 1 39 . 27 LEU CD2 C 22.9 0.15 1 40 . 27 LEU C C 177.9 0.15 1 41 . 28 ARG N N 117.4 0.25 1 42 . 28 ARG H H 8.23 0.02 1 43 . 28 ARG CA C 58.8 0.15 1 44 . 28 ARG CB C 29.0 0.15 1 45 . 28 ARG C C 178.4 0.15 1 46 . 29 GLN N N 115.9 0.25 1 47 . 29 GLN H H 7.50 0.02 1 48 . 29 GLN CA C 58.1 0.15 1 49 . 29 GLN HA H 4.16 0.02 1 50 . 29 GLN CB C 28.4 0.15 1 51 . 29 GLN HB2 H 2.11 0.02 2 52 . 29 GLN CG C 34.1 0.15 1 53 . 29 GLN HG2 H 2.44 0.02 2 54 . 29 GLN C C 178.1 0.15 1 55 . 30 ALA N N 121.1 0.25 1 56 . 30 ALA H H 7.91 0.02 1 57 . 30 ALA CA C 54.3 0.15 1 58 . 30 ALA HA H 4.35 0.02 1 59 . 30 ALA HB H 1.61 0.02 1 60 . 30 ALA CB C 18.9 0.15 1 61 . 30 ALA C C 179.1 0.15 1 62 . 31 VAL N N 106.6 0.25 1 63 . 31 VAL H H 7.34 0.02 1 64 . 31 VAL CA C 62.2 0.15 1 65 . 31 VAL HA H 5.10 0.02 1 66 . 31 VAL CB C 33.0 0.15 1 67 . 31 VAL HB H 2.90 0.02 1 68 . 31 VAL HG1 H 1.12 0.02 2 69 . 31 VAL HG2 H 1.66 0.02 2 70 . 31 VAL CG1 C 22.1 0.15 1 71 . 31 VAL CG2 C 18.0 0.15 1 72 . 31 VAL C C 175.6 0.15 1 73 . 32 MET N N 119.6 0.25 1 74 . 32 MET H H 7.16 0.02 1 75 . 32 MET CA C 56.5 0.15 1 76 . 32 MET HA H 4.04 0.02 1 77 . 32 MET CB C 32.9 0.15 1 78 . 32 MET HB2 H 1.88 0.02 2 79 . 32 MET HB3 H 2.05 0.02 2 80 . 32 MET HG2 H 2.46 0.02 2 81 . 32 MET C C 174.9 0.15 1 82 . 33 LEU N N 123.9 0.25 1 83 . 33 LEU H H 8.63 0.02 1 84 . 33 LEU CA C 52.7 0.15 1 85 . 33 LEU HA H 3.18 0.02 1 86 . 33 LEU CB C 43.3 0.15 1 87 . 33 LEU HB2 H 1.32 0.02 2 88 . 33 LEU HB3 H 1.87 0.02 2 89 . 33 LEU CG C 25.7 0.15 1 90 . 33 LEU HG H 1.39 0.02 1 91 . 33 LEU HD1 H 0.90 0.02 2 92 . 33 LEU HD2 H 0.48 0.02 2 93 . 33 LEU CD1 C 26.2 0.15 1 94 . 33 LEU CD2 C 25.4 0.15 1 95 . 33 LEU C C 174.4 0.15 1 96 . 34 PRO CA C 59.0 0.15 1 97 . 34 PRO CB C 29.4 0.15 1 98 . 34 PRO C C 178.9 0.15 1 99 . 36 GLY CA C 45.2 0.15 1 100 . 36 GLY HA2 H 4.25 0.02 2 101 . 36 GLY HA3 H 3.72 0.02 2 102 . 36 GLY C C 173.9 0.15 1 103 . 37 GLU N N 120.4 0.25 1 104 . 37 GLU H H 7.68 0.02 1 105 . 37 GLU CA C 54.9 0.15 1 106 . 37 GLU HA H 4.48 0.02 1 107 . 37 GLU CB C 30.6 0.15 1 108 . 37 GLU HB2 H 1.66 0.02 2 109 . 37 GLU HB3 H 2.00 0.02 2 110 . 37 GLU HG2 H 2.26 0.02 2 111 . 37 GLU C C 174.7 0.15 1 112 . 38 ASP N N 123.6 0.25 1 113 . 38 ASP H H 9.18 0.02 1 114 . 38 ASP CA C 53.8 0.15 1 115 . 38 ASP HA H 4.62 0.02 1 116 . 38 ASP CB C 43.7 0.15 1 117 . 38 ASP HB2 H 2.67 0.02 2 118 . 38 ASP HB3 H 2.77 0.02 2 119 . 38 ASP C C 176.2 0.15 1 120 . 39 LEU N N 127.9 0.25 1 121 . 39 LEU H H 8.60 0.02 1 122 . 39 LEU CA C 58.5 0.15 1 123 . 39 LEU HA H 4.09 0.02 1 124 . 39 LEU CB C 38.6 0.15 1 125 . 39 LEU HB2 H 1.76 0.02 2 126 . 39 LEU CG C 27.3 0.15 1 127 . 39 LEU HG H 1.48 0.02 1 128 . 39 LEU HD1 H 0.97 0.02 2 129 . 39 LEU HD2 H 0.80 0.02 2 130 . 39 LEU CD1 C 25.7 0.15 1 131 . 39 LEU CD2 C 24.3 0.15 1 132 . 40 ASN N N 115.9 0.25 1 133 . 40 ASN H H 8.04 0.02 1 134 . 40 ASN CA C 56.5 0.15 1 135 . 40 ASN HA H 4.08 0.02 1 136 . 40 ASN CB C 36.9 0.15 1 137 . 40 ASN HB2 H 1.06 0.02 2 138 . 40 ASN HB3 H 2.36 0.02 2 139 . 40 ASN C C 176.4 0.15 1 140 . 41 GLU N N 119.1 0.25 1 141 . 41 GLU H H 7.61 0.02 1 142 . 41 GLU CA C 59.5 0.15 1 143 . 41 GLU HA H 3.84 0.02 1 144 . 41 GLU CB C 29.8 0.15 1 145 . 41 GLU HB2 H 2.29 0.02 2 146 . 41 GLU CG C 36.6 0.15 1 147 . 41 GLU HG2 H 2.75 0.02 2 148 . 41 GLU HG3 H 2.53 0.02 2 149 . 41 GLU C C 177.9 0.15 1 150 . 42 TRP N N 120.6 0.25 1 151 . 42 TRP H H 8.34 0.02 1 152 . 42 TRP CA C 58.7 0.15 1 153 . 42 TRP HA H 4.85 0.02 1 154 . 42 TRP CB C 31.8 0.15 1 155 . 42 TRP HB2 H 3.24 0.02 2 156 . 42 TRP HB3 H 3.34 0.02 2 157 . 42 TRP HD1 H 6.79 0.02 1 158 . 42 TRP HE3 H 7.75 0.02 1 159 . 42 TRP HE1 H 10.12 0.02 1 160 . 42 TRP HZ3 H 7.22 0.02 1 161 . 42 TRP HZ2 H 7.92 0.02 1 162 . 42 TRP HH2 H 7.48 0.02 1 163 . 42 TRP C C 179.7 0.15 1 164 . 43 ILE N N 121.1 0.25 1 165 . 43 ILE H H 8.90 0.02 1 166 . 43 ILE CA C 65.2 0.15 1 167 . 43 ILE HA H 3.83 0.02 1 168 . 43 ILE CB C 37.1 0.15 1 169 . 43 ILE HB H 2.25 0.02 1 170 . 43 ILE HG2 H 0.92 0.02 1 171 . 43 ILE CG2 C 17.8 0.15 1 172 . 43 ILE CG1 C 29.2 0.15 1 173 . 43 ILE HG12 H 1.67 0.02 2 174 . 43 ILE HG13 H 1.21 0.02 2 175 . 43 ILE HD1 H 0.65 0.02 1 176 . 43 ILE CD1 C 12.9 0.15 1 177 . 43 ILE C C 179.0 0.15 1 178 . 44 ALA N N 126.9 0.25 1 179 . 44 ALA H H 9.07 0.02 1 180 . 44 ALA CA C 57.6 0.15 1 181 . 44 ALA HA H 4.28 0.02 1 182 . 44 ALA HB H 1.74 0.02 1 183 . 44 ALA CB C 19.1 0.15 1 184 . 44 ALA C C 178.9 0.15 1 185 . 45 VAL N N 114.9 0.25 1 186 . 45 VAL H H 8.60 0.02 1 187 . 45 VAL CA C 65.8 0.15 1 188 . 45 VAL HA H 3.83 0.02 1 189 . 45 VAL CB C 31.7 0.15 1 190 . 45 VAL HB H 2.10 0.02 1 191 . 45 VAL HG1 H 1.11 0.02 2 192 . 45 VAL HG2 H 1.01 0.02 2 193 . 45 VAL CG1 C 21.9 0.15 1 194 . 45 VAL CG2 C 20.8 0.15 1 195 . 45 VAL C C 178.6 0.15 1 196 . 46 ASN N N 118.4 0.25 1 197 . 46 ASN H H 7.12 0.02 1 198 . 46 ASN CA C 56.8 0.15 1 199 . 46 ASN HA H 3.70 0.02 1 200 . 46 ASN CB C 39.3 0.15 1 201 . 46 ASN HB2 H 0.84 0.02 2 202 . 46 ASN HB3 H 1.75 0.02 2 203 . 46 ASN HD21 H 6.65 0.02 2 204 . 46 ASN HD22 H 3.05 0.02 2 205 . 46 ASN C C 174.7 0.15 1 206 . 47 THR N N 117.6 0.25 1 207 . 47 THR H H 8.33 0.02 1 208 . 47 THR CA C 69.6 0.15 1 209 . 47 THR HA H 3.75 0.02 1 210 . 47 THR CB C 67.4 0.15 1 211 . 47 THR HB H 4.49 0.02 1 212 . 47 THR HG2 H 1.22 0.02 1 213 . 47 THR CG2 C 21.0 0.15 1 214 . 47 THR C C 175.4 0.15 1 215 . 48 VAL N N 120.1 0.25 1 216 . 48 VAL H H 7.67 0.02 1 217 . 48 VAL CA C 67.1 0.15 1 218 . 48 VAL HA H 3.45 0.02 1 219 . 48 VAL CB C 31.7 0.15 1 220 . 48 VAL HB H 2.08 0.02 1 221 . 48 VAL HG1 H 1.05 0.02 2 222 . 48 VAL HG2 H 0.96 0.02 2 223 . 48 VAL CG1 C 23.5 0.15 1 224 . 48 VAL CG2 C 21.6 0.15 1 225 . 48 VAL C C 177.2 0.15 1 226 . 49 ASP N N 119.6 0.25 1 227 . 49 ASP H H 7.19 0.02 1 228 . 49 ASP CA C 57.6 0.15 1 229 . 49 ASP HA H 4.46 0.02 1 230 . 49 ASP CB C 40.9 0.15 1 231 . 49 ASP HB2 H 2.40 0.02 2 232 . 49 ASP HB3 H 2.47 0.02 2 233 . 49 ASP C C 178.9 0.15 1 234 . 50 PHE N N 118.1 0.25 1 235 . 50 PHE H H 8.69 0.02 1 236 . 50 PHE CA C 60.9 0.15 1 237 . 50 PHE HA H 4.47 0.02 1 238 . 50 PHE CB C 37.6 0.15 1 239 . 50 PHE HB2 H 3.41 0.02 2 240 . 50 PHE HB3 H 3.05 0.02 2 241 . 50 PHE HD1 H 7.03 0.02 1 242 . 50 PHE HD2 H 7.03 0.02 1 243 . 50 PHE HE1 H 6.38 0.02 1 244 . 50 PHE HE2 H 6.38 0.02 1 245 . 50 PHE HZ H 6.21 0.02 1 246 . 50 PHE C C 178.6 0.15 1 247 . 51 PHE N N 120.6 0.25 1 248 . 51 PHE H H 8.62 0.02 1 249 . 51 PHE CA C 61.0 0.15 1 250 . 51 PHE HA H 4.28 0.02 1 251 . 51 PHE CB C 38.5 0.15 1 252 . 51 PHE HB2 H 3.01 0.02 2 253 . 51 PHE HB3 H 3.38 0.02 2 254 . 51 PHE HD1 H 7.10 0.02 1 255 . 51 PHE HD2 H 7.10 0.02 1 256 . 51 PHE HE1 H 7.45 0.02 1 257 . 51 PHE HE2 H 7.45 0.02 1 258 . 51 PHE HZ H 7.31 0.02 1 259 . 51 PHE C C 176.1 0.15 1 260 . 52 ASN N N 119.1 0.25 1 261 . 52 ASN H H 8.36 0.02 1 262 . 52 ASN CA C 56.5 0.15 1 263 . 52 ASN HA H 4.14 0.02 1 264 . 52 ASN CB C 37.7 0.15 1 265 . 52 ASN HB2 H 2.75 0.02 2 266 . 52 ASN HB3 H 3.09 0.02 2 267 . 52 ASN HD21 H 6.67 0.02 2 268 . 52 ASN HD22 H 7.53 0.02 2 269 . 52 ASN C C 178.2 0.15 1 270 . 53 GLN N N 119.9 0.25 1 271 . 53 GLN H H 8.74 0.02 1 272 . 53 GLN CA C 59.5 0.15 1 273 . 53 GLN HA H 4.10 0.02 1 274 . 53 GLN CB C 28.6 0.15 1 275 . 53 GLN HB2 H 2.29 0.02 2 276 . 53 GLN HG2 H 2.52 0.02 2 277 . 53 GLN HE21 H 7.32 0.02 2 278 . 53 GLN HE22 H 6.78 0.02 2 279 . 53 GLN C C 178.6 0.15 1 280 . 54 ILE N N 119.9 0.25 1 281 . 54 ILE H H 8.47 0.02 1 282 . 54 ILE CA C 62.5 0.15 1 283 . 54 ILE HA H 3.74 0.02 1 284 . 54 ILE CB C 37.1 0.15 1 285 . 54 ILE HB H 1.69 0.02 1 286 . 54 ILE HG2 H 0.80 0.02 1 287 . 54 ILE CG2 C 19.1 0.15 1 288 . 54 ILE CG1 C 30.0 0.15 1 289 . 54 ILE HG12 H 0.52 0.02 2 290 . 54 ILE HG13 H 1.30 0.02 2 291 . 54 ILE HD1 H 0.15 0.02 1 292 . 54 ILE CD1 C 13.7 0.15 1 293 . 54 ILE C C 176.6 0.15 1 294 . 55 ASN N N 120.9 0.25 1 295 . 55 ASN H H 8.15 0.02 1 296 . 55 ASN CA C 56.8 0.15 1 297 . 55 ASN HA H 4.25 0.02 1 298 . 55 ASN CB C 38.5 0.15 1 299 . 55 ASN HB2 H 2.29 0.02 2 300 . 55 ASN HB3 H 2.48 0.02 2 301 . 55 ASN C C 178.2 0.15 1 302 . 56 MET N N 119.1 0.25 1 303 . 56 MET H H 7.77 0.02 1 304 . 56 MET CA C 58.9 0.15 1 305 . 56 MET HA H 4.11 0.02 1 306 . 56 MET CB C 31.9 0.15 1 307 . 56 MET HB2 H 2.20 0.02 2 308 . 56 MET CG C 31.8 0.15 1 309 . 56 MET HG2 H 2.69 0.02 2 310 . 56 MET HG3 H 2.52 0.02 2 311 . 56 MET HE H 1.80 0.02 1 312 . 56 MET C C 178.8 0.15 1 313 . 57 LEU N N 121.6 0.25 1 314 . 57 LEU H H 8.26 0.02 1 315 . 57 LEU CA C 58.0 0.15 1 316 . 57 LEU HA H 3.98 0.02 1 317 . 57 LEU CB C 42.4 0.15 1 318 . 57 LEU HB2 H 1.80 0.02 2 319 . 57 LEU HB3 H 1.18 0.02 2 320 . 57 LEU CG C 27.6 0.15 1 321 . 57 LEU HG H 1.61 0.02 1 322 . 57 LEU HD1 H 0.88 0.02 2 323 . 57 LEU HD2 H 0.63 0.02 2 324 . 57 LEU CD1 C 25.1 0.15 1 325 . 57 LEU CD2 C 23.2 0.15 1 326 . 57 LEU C C 179.1 0.15 1 327 . 58 TYR N N 119.9 0.25 1 328 . 58 TYR H H 8.95 0.02 1 329 . 58 TYR CA C 61.7 0.15 1 330 . 58 TYR HA H 3.96 0.02 1 331 . 58 TYR CB C 37.7 0.15 1 332 . 58 TYR HB2 H 2.76 0.02 2 333 . 58 TYR HB3 H 2.86 0.02 2 334 . 58 TYR HD1 H 6.86 0.02 1 335 . 58 TYR HD2 H 6.86 0.02 1 336 . 58 TYR HE1 H 6.39 0.02 1 337 . 58 TYR HE2 H 6.39 0.02 1 338 . 59 GLY N N 104.1 0.25 1 339 . 59 GLY H H 7.88 0.02 1 340 . 59 GLY CA C 46.7 0.15 1 341 . 59 GLY HA2 H 3.85 0.02 2 342 . 59 GLY HA3 H 3.67 0.02 2 343 . 59 GLY C C 175.7 0.15 1 344 . 60 THR N N 113.1 0.25 1 345 . 60 THR H H 7.51 0.02 1 346 . 60 THR CA C 64.9 0.15 1 347 . 60 THR HA H 4.16 0.02 1 348 . 60 THR CB C 69.3 0.15 1 349 . 60 THR HB H 4.33 0.02 1 350 . 60 THR HG2 H 1.32 0.02 1 351 . 60 THR CG2 C 21.6 0.15 1 352 . 60 THR C C 175.9 0.15 1 353 . 61 ILE N N 111.8 0.25 1 354 . 61 ILE H H 7.20 0.02 1 355 . 61 ILE CA C 60.3 0.15 1 356 . 61 ILE HA H 4.61 0.02 1 357 . 61 ILE CB C 39.0 0.15 1 358 . 61 ILE HB H 2.01 0.02 1 359 . 61 ILE HG2 H 0.66 0.02 1 360 . 61 ILE CG2 C 18.6 0.15 1 361 . 61 ILE CG1 C 27.3 0.15 1 362 . 61 ILE HG12 H 1.02 0.02 2 363 . 61 ILE HG13 H 1.14 0.02 2 364 . 61 ILE HD1 H 0.57 0.02 1 365 . 61 ILE CD1 C 15.9 0.15 1 366 . 61 ILE C C 176.4 0.15 1 367 . 62 THR N N 115.9 0.25 1 368 . 62 THR H H 7.12 0.02 1 369 . 62 THR CA C 65.2 0.15 1 370 . 62 THR HA H 3.59 0.02 1 371 . 62 THR CB C 68.5 0.15 1 372 . 62 THR HB H 3.98 0.02 1 373 . 62 THR HG2 H 1.12 0.02 1 374 . 62 THR CG2 C 21.3 0.15 1 375 . 62 THR C C 175.2 0.15 1 376 . 63 GLU N N 118.4 0.25 1 377 . 63 GLU H H 8.28 0.02 1 378 . 63 GLU CA C 57.9 0.15 1 379 . 63 GLU HA H 3.87 0.02 1 380 . 63 GLU CB C 28.9 0.15 1 381 . 63 GLU HB2 H 1.50 0.02 2 382 . 63 GLU HB3 H 1.41 0.02 2 383 . 63 GLU HG2 H 1.77 0.02 2 384 . 63 GLU C C 176.2 0.15 1 385 . 64 PHE N N 114.9 0.25 1 386 . 64 PHE H H 7.84 0.02 1 387 . 64 PHE CA C 57.9 0.15 1 388 . 64 PHE HA H 4.38 0.02 1 389 . 64 PHE CB C 39.6 0.15 1 390 . 64 PHE HB2 H 2.59 0.02 2 391 . 64 PHE HB3 H 3.42 0.02 2 392 . 64 PHE HD1 H 7.16 0.02 1 393 . 64 PHE HD2 H 7.16 0.02 1 394 . 64 PHE HE1 H 7.34 0.02 1 395 . 64 PHE HE2 H 7.34 0.02 1 396 . 64 PHE HZ H 7.22 0.02 1 397 . 65 CYS N N 124.9 0.25 1 398 . 65 CYS H H 7.20 0.02 1 399 . 65 CYS CA C 58.9 0.15 1 400 . 65 CYS HA H 4.80 0.02 1 401 . 65 CYS CB C 28.4 0.15 1 402 . 65 CYS HB2 H 1.80 0.02 2 403 . 65 CYS HB3 H 2.70 0.02 2 404 . 65 CYS C C 172.7 0.15 1 405 . 66 THR N N 115.6 0.25 1 406 . 66 THR H H 8.51 0.02 1 407 . 66 THR CA C 58.4 0.15 1 408 . 66 THR HA H 5.05 0.02 1 409 . 66 THR CB C 73.4 0.15 1 410 . 66 THR HB H 4.72 0.02 1 411 . 66 THR HG2 H 1.08 0.02 1 412 . 66 THR CG2 C 20.7 0.15 1 413 . 66 THR C C 175.9 0.15 1 414 . 68 SER CA C 60.1 0.15 1 415 . 69 THR N N 114.1 0.25 1 416 . 69 THR H H 7.77 0.02 1 417 . 69 THR CA C 64.4 0.15 1 418 . 69 THR HA H 4.38 0.02 1 419 . 69 THR CB C 68.8 0.15 1 420 . 69 THR HB H 4.66 0.02 1 421 . 69 THR HG2 H 1.47 0.02 1 422 . 69 THR CG2 C 21.0 0.15 1 423 . 69 THR C C 176.7 0.15 1 424 . 70 CYS N N 124.4 0.25 1 425 . 70 CYS H H 8.29 0.02 1 426 . 70 CYS CA C 57.6 0.15 1 427 . 70 CYS HA H 5.13 0.02 1 428 . 70 CYS CB C 30.9 0.15 1 429 . 70 CYS HB2 H 3.14 0.02 2 430 . 70 CYS HB3 H 3.34 0.02 2 431 . 70 CYS C C 175.4 0.15 1 432 . 71 SER N N 117.6 0.25 1 433 . 71 SER H H 8.21 0.02 1 434 . 71 SER CA C 61.2 0.15 1 435 . 71 SER CB C 63.4 0.15 1 436 . 71 SER C C 173.3 0.15 1 437 . 72 VAL N N 115.4 0.25 1 438 . 72 VAL H H 7.58 0.02 1 439 . 72 VAL CA C 59.8 0.15 1 440 . 72 VAL HA H 4.58 0.02 1 441 . 72 VAL CB C 35.5 0.15 1 442 . 72 VAL HB H 1.97 0.02 1 443 . 72 VAL HG1 H 0.88 0.02 2 444 . 72 VAL HG2 H 0.87 0.02 2 445 . 72 VAL CG1 C 21.0 0.15 1 446 . 72 VAL CG2 C 19.9 0.15 1 447 . 72 VAL C C 174.9 0.15 1 448 . 73 MET N N 125.6 0.25 1 449 . 73 MET H H 8.46 0.02 1 450 . 73 MET CA C 55.6 0.15 1 451 . 73 MET CB C 30.6 0.15 1 452 . 73 MET C C 172.9 0.15 1 453 . 74 SER N N 119.9 0.25 1 454 . 74 SER H H 7.89 0.02 1 455 . 74 SER CA C 56.8 0.15 1 456 . 74 SER HA H 5.40 0.02 1 457 . 74 SER CB C 66.6 0.15 1 458 . 74 SER HB2 H 3.78 0.02 2 459 . 74 SER HB3 H 4.15 0.02 2 460 . 74 SER C C 173.4 0.15 1 461 . 75 ALA N N 126.6 0.25 1 462 . 75 ALA H H 8.64 0.02 1 463 . 75 ALA CA C 50.2 0.15 1 464 . 75 ALA HA H 4.62 0.02 1 465 . 75 ALA HB H 1.26 0.02 1 466 . 75 ALA CB C 19.7 0.15 1 467 . 75 ALA C C 173.9 0.15 1 468 . 76 GLY N N 106.8 0.25 1 469 . 76 GLY H H 7.45 0.02 1 470 . 76 GLY CA C 44.6 0.15 1 471 . 76 GLY HA2 H 4.17 0.02 2 472 . 76 GLY HA3 H 3.74 0.02 2 473 . 76 GLY C C 172.1 0.15 1 474 . 77 PRO CD C 49.4 0.15 1 475 . 77 PRO HG2 H 2.07 0.02 2 476 . 77 PRO HD2 H 3.61 0.02 2 477 . 77 PRO HD3 H 3.78 0.02 2 478 . 79 TYR N N 117.9 0.25 1 479 . 79 TYR H H 7.06 0.02 1 480 . 79 TYR CA C 56.6 0.15 1 481 . 79 TYR CB C 39.7 0.15 1 482 . 79 TYR C C 172.9 0.15 1 483 . 80 GLU N N 122.4 0.25 1 484 . 80 GLU H H 7.83 0.02 1 485 . 80 GLU CA C 54.9 0.15 1 486 . 80 GLU CB C 32.0 0.15 1 487 . 80 GLU C C 174.9 0.15 1 488 . 81 TYR N N 121.4 0.25 1 489 . 81 TYR H H 7.90 0.02 1 490 . 81 TYR CA C 55.9 0.15 1 491 . 81 TYR CB C 40.1 0.15 1 492 . 81 TYR C C 173.7 0.15 1 493 . 83 TRP HA H 3.80 0.02 1 494 . 83 TRP HB2 H 3.37 0.02 2 495 . 83 TRP HD1 H 6.94 0.02 1 496 . 83 TRP HE3 H 6.44 0.02 1 497 . 83 TRP HE1 H 10.14 0.02 1 498 . 83 TRP HZ3 H 6.40 0.02 1 499 . 83 TRP HZ2 H 6.05 0.02 1 500 . 83 TRP HH2 H 6.72 0.02 1 501 . 84 ALA CA C 51.9 0.15 1 502 . 84 ALA HA H 3.49 0.02 1 503 . 84 ALA HB H 0.91 0.02 1 504 . 84 ALA CB C 21.6 0.15 1 505 . 89 ILE CA C 60.8 0.15 1 506 . 89 ILE HA H 4.10 0.02 1 507 . 89 ILE CB C 38.8 0.15 1 508 . 89 ILE HB H 1.59 0.02 1 509 . 89 ILE HG2 H 0.89 0.02 1 510 . 89 ILE CG2 C 18.6 0.15 1 511 . 89 ILE CG1 C 27.3 0.15 1 512 . 89 ILE HG12 H 1.37 0.02 2 513 . 89 ILE HG13 H 1.15 0.02 2 514 . 89 ILE HD1 H 0.79 0.02 1 515 . 89 ILE CD1 C 12.9 0.15 1 516 . 90 LYS CA C 57.2 0.15 1 517 . 91 LYS N N 121.4 0.25 1 518 . 91 LYS H H 7.61 0.02 1 519 . 91 LYS CA C 53.0 0.15 1 520 . 91 LYS HA H 4.66 0.02 1 521 . 91 LYS CB C 32.6 0.15 1 522 . 91 LYS HB2 H 1.77 0.02 2 523 . 91 LYS HB3 H 1.68 0.02 2 524 . 91 LYS HG2 H 1.44 0.02 2 525 . 91 LYS HD2 H 1.36 0.02 2 526 . 91 LYS C C 172.9 0.15 1 527 . 92 PRO CD C 50.5 0.15 1 528 . 92 PRO CA C 62.9 0.15 1 529 . 92 PRO HA H 4.37 0.02 1 530 . 92 PRO HB2 H 1.85 0.02 2 531 . 92 PRO HB3 H 2.17 0.02 2 532 . 92 PRO HG2 H 1.75 0.02 2 533 . 92 PRO HG3 H 1.99 0.02 2 534 . 92 PRO HD2 H 3.54 0.02 2 535 . 92 PRO HD3 H 3.84 0.02 2 536 . 93 ILE N N 120.6 0.25 1 537 . 93 ILE H H 8.96 0.02 1 538 . 93 ILE CA C 59.8 0.15 1 539 . 93 ILE HA H 4.45 0.02 1 540 . 93 ILE CB C 41.2 0.15 1 541 . 93 ILE HB H 1.94 0.02 1 542 . 93 ILE HG2 H 1.04 0.02 1 543 . 93 ILE CG2 C 18.0 0.15 1 544 . 93 ILE CG1 C 26.8 0.15 1 545 . 93 ILE HG12 H 1.75 0.02 2 546 . 93 ILE HG13 H 1.29 0.02 2 547 . 93 ILE HD1 H 0.97 0.02 1 548 . 93 ILE CD1 C 14.0 0.15 1 549 . 94 LYS CA C 56.0 0.15 1 550 . 95 CYS N N 121.1 0.25 1 551 . 95 CYS H H 8.63 0.02 1 552 . 95 CYS CA C 55.1 0.15 1 553 . 95 CYS HA H 5.17 0.02 1 554 . 95 CYS CB C 31.7 0.15 1 555 . 95 CYS HB2 H 3.20 0.02 2 556 . 95 CYS HB3 H 3.22 0.02 2 557 . 95 CYS C C 172.5 0.15 1 558 . 96 SER N N 116.6 0.25 1 559 . 96 SER H H 8.45 0.02 1 560 . 96 SER CA C 57.5 0.15 1 561 . 96 SER HA H 4.16 0.02 1 562 . 96 SER CB C 64.1 0.15 1 563 . 96 SER HB2 H 4.02 0.02 2 564 . 97 ALA N N 120.4 0.25 1 565 . 97 ALA H H 8.10 0.02 1 566 . 97 ALA CA C 56.5 0.15 1 567 . 97 ALA HA H 4.26 0.02 1 568 . 97 ALA HB H 1.08 0.02 1 569 . 97 ALA CB C 18.3 0.15 1 570 . 97 ALA C C 174.6 0.15 1 571 . 98 PRO CA C 65.9 0.15 1 572 . 98 PRO HA H 4.29 0.02 1 573 . 98 PRO CB C 30.6 0.15 1 574 . 98 PRO HB2 H 2.10 0.02 2 575 . 98 PRO HB3 H 2.42 0.02 2 576 . 98 PRO C C 179.7 0.15 1 577 . 99 LYS N N 117.4 0.25 1 578 . 99 LYS H H 7.08 0.02 1 579 . 99 LYS CA C 58.4 0.15 1 580 . 99 LYS HA H 3.88 0.02 1 581 . 99 LYS CB C 32.2 0.15 1 582 . 99 LYS HB2 H 1.70 0.02 2 583 . 99 LYS HB3 H 1.80 0.02 2 584 . 99 LYS CG C 24.6 0.15 1 585 . 99 LYS HG2 H 1.35 0.02 2 586 . 99 LYS HE2 H 3.21 0.02 2 587 . 99 LYS C C 176.7 0.15 1 588 . 100 TYR N N 121.6 0.25 1 589 . 100 TYR H H 9.02 0.02 1 590 . 100 TYR CA C 62.2 0.15 1 591 . 100 TYR HA H 3.63 0.02 1 592 . 100 TYR CB C 39.2 0.15 1 593 . 100 TYR HD1 H 6.95 0.02 1 594 . 100 TYR HD2 H 6.95 0.02 1 595 . 100 TYR HE1 H 6.55 0.02 1 596 . 100 TYR HE2 H 6.55 0.02 1 597 . 100 TYR C C 176.6 0.15 1 598 . 101 ILE N N 117.9 0.25 1 599 . 101 ILE H H 8.80 0.02 1 600 . 101 ILE CA C 65.8 0.15 1 601 . 101 ILE HA H 3.35 0.02 1 602 . 101 ILE CB C 37.1 0.15 1 603 . 101 ILE HB H 1.58 0.02 1 604 . 101 ILE HG2 H 0.26 0.02 1 605 . 101 ILE CG2 C 17.5 0.15 1 606 . 101 ILE CG1 C 31.1 0.15 1 607 . 101 ILE HG12 H 1.88 0.02 2 608 . 101 ILE HG13 H 0.57 0.02 2 609 . 101 ILE HD1 H 0.37 0.02 1 610 . 101 ILE CD1 C 13.1 0.15 1 611 . 101 ILE C C 176.7 0.15 1 612 . 102 ASP N N 121.4 0.25 1 613 . 102 ASP H H 7.71 0.02 1 614 . 102 ASP CA C 57.9 0.15 1 615 . 102 ASP HA H 4.33 0.02 1 616 . 102 ASP CB C 41.5 0.15 1 617 . 102 ASP HB2 H 2.52 0.02 2 618 . 102 ASP HB3 H 2.66 0.02 2 619 . 102 ASP C C 179.2 0.15 1 620 . 103 TYR N N 120.1 0.25 1 621 . 103 TYR H H 8.21 0.02 1 622 . 103 TYR CA C 60.0 0.15 1 623 . 103 TYR HA H 3.90 0.02 1 624 . 103 TYR CB C 35.4 0.15 1 625 . 103 TYR HB2 H 1.77 0.02 2 626 . 103 TYR HD1 H 6.73 0.02 1 627 . 103 TYR HD2 H 6.73 0.02 1 628 . 103 TYR HE1 H 6.68 0.02 1 629 . 103 TYR HE2 H 6.68 0.02 1 630 . 103 TYR C C 178.7 0.15 1 631 . 104 LEU N N 120.9 0.25 1 632 . 104 LEU H H 8.18 0.02 1 633 . 104 LEU CA C 58.7 0.15 1 634 . 104 LEU HA H 3.80 0.02 1 635 . 104 LEU CB C 42.1 0.15 1 636 . 104 LEU HB2 H 1.25 0.02 2 637 . 104 LEU HB3 H 1.75 0.02 2 638 . 104 LEU CG C 27.9 0.15 1 639 . 104 LEU HG H 1.70 0.02 1 640 . 104 LEU HD1 H 1.20 0.02 2 641 . 104 LEU HD2 H 0.91 0.02 2 642 . 104 LEU CD1 C 27.3 0.15 1 643 . 104 LEU CD2 C 26.2 0.15 1 644 . 104 LEU C C 178.2 0.15 1 645 . 105 MET N N 118.1 0.25 1 646 . 105 MET H H 9.28 0.02 1 647 . 105 MET CA C 58.2 0.15 1 648 . 105 MET HA H 4.36 0.02 1 649 . 105 MET HB2 H 2.16 0.02 2 650 . 105 MET HB3 H 2.36 0.02 2 651 . 105 MET HG2 H 3.00 0.02 2 652 . 105 MET HG3 H 2.70 0.02 2 653 . 105 MET C C 179.6 0.15 1 654 . 106 THR N N 116.9 0.25 1 655 . 106 THR H H 7.97 0.02 1 656 . 106 THR CA C 66.6 0.15 1 657 . 106 THR HA H 3.95 0.02 1 658 . 106 THR CB C 68.8 0.15 1 659 . 106 THR HB H 4.24 0.02 1 660 . 106 THR HG2 H 1.28 0.02 1 661 . 106 THR CG2 C 21.6 0.15 1 662 . 106 THR C C 174.7 0.15 1 663 . 107 TRP N N 123.1 0.25 1 664 . 107 TRP H H 8.27 0.02 1 665 . 107 TRP CA C 62.5 0.15 1 666 . 107 TRP HA H 4.33 0.02 1 667 . 107 TRP CB C 28.8 0.15 1 668 . 107 TRP HB2 H 3.86 0.02 2 669 . 107 TRP HB3 H 3.61 0.02 2 670 . 107 TRP HD1 H 7.70 0.02 1 671 . 107 TRP HE3 H 7.86 0.02 1 672 . 107 TRP HE1 H 10.52 0.02 1 673 . 107 TRP HZ3 H 6.87 0.02 1 674 . 107 TRP HZ2 H 7.56 0.02 1 675 . 107 TRP HH2 H 7.08 0.02 1 676 . 107 TRP C C 178.9 0.15 1 677 . 108 VAL N N 119.1 0.25 1 678 . 108 VAL H H 9.25 0.02 1 679 . 108 VAL CA C 67.4 0.15 1 680 . 108 VAL HA H 2.85 0.02 1 681 . 108 VAL CB C 31.4 0.15 1 682 . 108 VAL HB H 2.02 0.02 1 683 . 108 VAL HG1 H 1.42 0.02 2 684 . 108 VAL HG2 H 0.20 0.02 2 685 . 108 VAL CG1 C 24.0 0.15 1 686 . 108 VAL CG2 C 22.7 0.15 1 687 . 108 VAL C C 177.1 0.15 1 688 . 109 GLN N N 119.6 0.25 1 689 . 109 GLN H H 7.92 0.02 1 690 . 109 GLN CA C 58.7 0.15 1 691 . 109 GLN HA H 3.34 0.02 1 692 . 109 GLN CB C 28.4 0.15 1 693 . 109 GLN HB2 H 2.22 0.02 2 694 . 109 GLN CG C 33.9 0.15 1 695 . 109 GLN HG2 H 2.33 0.02 2 696 . 109 GLN HE21 H 7.52 0.02 2 697 . 109 GLN HE22 H 6.70 0.02 2 698 . 109 GLN C C 176.7 0.15 1 699 . 110 ASP N N 117.4 0.25 1 700 . 110 ASP H H 8.02 0.02 1 701 . 110 ASP CA C 58.0 0.15 1 702 . 110 ASP HA H 4.24 0.02 1 703 . 110 ASP CB C 40.1 0.15 1 704 . 110 ASP HB2 H 2.43 0.02 2 705 . 110 ASP HB3 H 2.73 0.02 2 706 . 111 GLN N N 117.6 0.25 1 707 . 111 GLN H H 7.34 0.02 1 708 . 111 GLN CA C 57.6 0.15 1 709 . 111 GLN HA H 3.96 0.02 1 710 . 111 GLN CB C 27.8 0.15 1 711 . 111 GLN HB2 H 2.05 0.02 2 712 . 111 GLN HB3 H 1.70 0.02 2 713 . 111 GLN HG2 H 1.03 0.02 2 714 . 111 GLN HG3 H 1.55 0.02 2 715 . 111 GLN HE21 H 5.66 0.02 2 716 . 111 GLN HE22 H 5.80 0.02 2 717 . 111 GLN C C 177.3 0.15 1 718 . 112 LEU N N 115.9 0.25 1 719 . 112 LEU H H 7.66 0.02 1 720 . 112 LEU CA C 56.7 0.15 1 721 . 112 LEU HA H 3.20 0.02 1 722 . 112 LEU CB C 40.4 0.15 1 723 . 112 LEU HB2 H 1.40 0.02 2 724 . 112 LEU HB3 H 0.98 0.02 2 725 . 112 LEU CG C 25.9 0.15 1 726 . 112 LEU HG H 1.21 0.02 1 727 . 112 LEU HD1 H 0.19 0.02 2 728 . 112 LEU HD2 H -0.17 0.02 2 729 . 112 LEU CD1 C 26.2 0.15 1 730 . 112 LEU CD2 C 22.1 0.15 1 731 . 112 LEU C C 178.6 0.15 1 732 . 113 ASP N N 115.9 0.25 1 733 . 113 ASP H H 7.65 0.02 1 734 . 113 ASP CA C 54.0 0.15 1 735 . 113 ASP HA H 4.51 0.02 1 736 . 113 ASP CB C 41.2 0.15 1 737 . 113 ASP HB2 H 2.82 0.02 2 738 . 113 ASP HB3 H 2.57 0.02 2 739 . 113 ASP C C 174.8 0.15 1 740 . 114 ASP N N 122.1 0.25 1 741 . 114 ASP H H 7.54 0.02 1 742 . 114 ASP CA C 53.2 0.15 1 743 . 114 ASP HA H 4.61 0.02 1 744 . 114 ASP CB C 40.7 0.15 1 745 . 114 ASP HB2 H 2.62 0.02 2 746 . 114 ASP HB3 H 3.58 0.02 2 747 . 114 ASP C C 176.0 0.15 1 748 . 115 GLU N N 127.4 0.25 1 749 . 115 GLU H H 8.66 0.02 1 750 . 115 GLU CA C 58.1 0.15 1 751 . 115 GLU HA H 4.16 0.02 1 752 . 115 GLU CB C 29.5 0.15 1 753 . 115 GLU HB2 H 2.08 0.02 2 754 . 115 GLU HB3 H 2.19 0.02 2 755 . 115 GLU CG C 36.3 0.15 1 756 . 115 GLU HG2 H 2.36 0.02 2 757 . 115 GLU C C 176.6 0.15 1 758 . 116 THR N N 110.6 0.25 1 759 . 116 THR H H 8.66 0.02 1 760 . 116 THR CA C 63.0 0.15 1 761 . 116 THR HA H 4.20 0.02 1 762 . 116 THR CB C 69.0 0.15 1 763 . 116 THR HB H 4.24 0.02 1 764 . 116 THR HG2 H 1.24 0.02 1 765 . 116 THR CG2 C 21.9 0.15 1 766 . 116 THR C C 174.2 0.15 1 767 . 117 LEU N N 123.4 0.25 1 768 . 117 LEU H H 7.49 0.02 1 769 . 117 LEU CA C 56.5 0.15 1 770 . 117 LEU HA H 4.41 0.02 1 771 . 117 LEU CB C 44.8 0.15 1 772 . 117 LEU HB2 H 1.67 0.02 2 773 . 117 LEU HB3 H 2.07 0.02 2 774 . 117 LEU CG C 27.0 0.15 1 775 . 117 LEU HG H 1.69 0.02 1 776 . 117 LEU HD1 H 1.09 0.02 2 777 . 117 LEU HD2 H 1.00 0.02 2 778 . 117 LEU CD1 C 25.4 0.15 1 779 . 117 LEU CD2 C 24.6 0.15 1 780 . 117 LEU C C 172.7 0.15 1 781 . 118 PHE N N 113.4 0.25 1 782 . 118 PHE H H 7.87 0.02 1 783 . 118 PHE CA C 54.0 0.15 1 784 . 118 PHE HA H 4.69 0.02 1 785 . 118 PHE CB C 40.1 0.15 1 786 . 118 PHE HB2 H 2.96 0.02 2 787 . 118 PHE HB3 H 2.92 0.02 2 788 . 118 PHE HD1 H 7.44 0.02 1 789 . 118 PHE HD2 H 7.44 0.02 1 790 . 118 PHE HE1 H 7.09 0.02 1 791 . 118 PHE HE2 H 7.09 0.02 1 792 . 118 PHE HZ H 6.88 0.02 1 793 . 118 PHE C C 172.8 0.15 1 794 . 119 PRO CD C 50.2 0.15 1 795 . 119 PRO CA C 63.1 0.15 1 796 . 119 PRO CB C 32.3 0.15 1 797 . 119 PRO HG2 H 0.94 0.02 2 798 . 119 PRO HG3 H 1.12 0.02 2 799 . 119 PRO HD2 H 2.90 0.02 2 800 . 119 PRO HD3 H 2.58 0.02 2 801 . 119 PRO C C 177.6 0.15 1 802 . 120 SER N N 115.9 0.25 1 803 . 120 SER H H 8.87 0.02 1 804 . 120 SER CA C 58.0 0.15 1 805 . 120 SER CB C 64.4 0.15 1 806 . 120 SER C C 174.4 0.15 1 807 . 121 LYS N N 122.1 0.25 1 808 . 121 LYS H H 7.44 0.02 1 809 . 121 LYS CA C 55.2 0.15 1 810 . 121 LYS HA H 4.49 0.02 1 811 . 121 LYS CB C 34.0 0.15 1 812 . 121 LYS HB2 H 1.66 0.02 2 813 . 121 LYS HB3 H 1.79 0.02 2 814 . 121 LYS HD2 H 1.42 0.02 2 815 . 121 LYS C C 175.8 0.15 1 816 . 122 ILE N N 123.1 0.25 1 817 . 122 ILE H H 8.18 0.02 1 818 . 122 ILE CA C 62.2 0.15 1 819 . 122 ILE HA H 3.95 0.02 1 820 . 122 ILE CB C 37.9 0.15 1 821 . 122 ILE HB H 1.82 0.02 1 822 . 122 ILE HG2 H 0.93 0.02 1 823 . 122 ILE CG2 C 17.2 0.15 1 824 . 122 ILE CG1 C 28.1 0.15 1 825 . 122 ILE HG12 H 1.27 0.02 2 826 . 122 ILE HG13 H 1.56 0.02 2 827 . 122 ILE HD1 H 0.90 0.02 1 828 . 122 ILE CD1 C 12.9 0.15 1 829 . 122 ILE C C 176.9 0.15 1 830 . 123 GLY N N 122.4 0.25 1 831 . 123 GLY H H 7.22 0.02 1 832 . 123 GLY CA C 45.3 0.15 1 833 . 123 GLY HA2 H 4.15 0.02 2 834 . 123 GLY HA3 H 3.68 0.02 2 835 . 124 VAL N N 122.1 0.25 1 836 . 124 VAL H H 7.22 0.02 1 837 . 124 VAL CA C 59.8 0.15 1 838 . 124 VAL HA H 4.39 0.02 1 839 . 124 VAL CB C 32.5 0.15 1 840 . 124 VAL HB H 1.94 0.02 1 841 . 124 VAL HG1 H 0.95 0.02 2 842 . 124 VAL HG2 H 0.83 0.02 2 843 . 124 VAL CG1 C 20.8 0.15 1 844 . 124 VAL CG2 C 21.3 0.15 1 845 . 124 VAL C C 173.4 0.15 1 846 . 125 PRO CD C 50.8 0.15 1 847 . 125 PRO CA C 62.2 0.15 1 848 . 125 PRO HA H 4.49 0.02 1 849 . 125 PRO CB C 32.2 0.15 1 850 . 125 PRO HB2 H 1.95 0.02 2 851 . 125 PRO HB3 H 2.26 0.02 2 852 . 125 PRO HG2 H 1.92 0.02 2 853 . 125 PRO HG3 H 1.96 0.02 2 854 . 125 PRO HD2 H 3.69 0.02 2 855 . 125 PRO HD3 H 3.84 0.02 2 856 . 126 PHE N N 119.9 0.25 1 857 . 126 PHE H H 8.36 0.02 1 858 . 126 PHE CA C 57.3 0.15 1 859 . 126 PHE HA H 4.07 0.02 1 860 . 126 PHE CB C 38.5 0.15 1 861 . 126 PHE HB2 H 2.55 0.02 2 862 . 126 PHE HB3 H 2.73 0.02 2 863 . 126 PHE HD1 H 6.83 0.02 1 864 . 126 PHE HD2 H 6.83 0.02 1 865 . 126 PHE HE1 H 7.01 0.02 1 866 . 126 PHE HE2 H 7.01 0.02 1 867 . 126 PHE C C 174.3 0.15 1 868 . 127 PRO CA C 62.2 0.15 1 869 . 127 PRO CB C 32.6 0.15 1 870 . 127 PRO C C 175.7 0.15 1 871 . 129 ASN CA C 52.4 0.15 1 872 . 129 ASN HA H 5.04 0.02 1 873 . 129 ASN CB C 36.9 0.15 1 874 . 129 ASN HB2 H 3.15 0.02 2 875 . 129 ASN HB3 H 2.81 0.02 2 876 . 130 PHE N N 120.9 0.25 1 877 . 130 PHE H H 7.90 0.02 1 878 . 130 PHE CA C 63.0 0.15 1 879 . 130 PHE HA H 3.90 0.02 1 880 . 130 PHE CB C 39.9 0.15 1 881 . 130 PHE HB2 H 2.91 0.02 2 882 . 130 PHE HB3 H 3.47 0.02 2 883 . 130 PHE HD1 H 6.99 0.02 1 884 . 130 PHE HD2 H 6.99 0.02 1 885 . 130 PHE HE1 H 6.53 0.02 1 886 . 130 PHE HE2 H 6.53 0.02 1 887 . 130 PHE HZ H 6.66 0.02 1 888 . 130 PHE C C 175.6 0.15 1 889 . 131 MET N N 116.4 0.25 1 890 . 131 MET H H 8.81 0.02 1 891 . 131 MET CA C 57.6 0.15 1 892 . 131 MET HA H 3.96 0.02 1 893 . 131 MET CB C 30.6 0.15 1 894 . 131 MET HB2 H 2.03 0.02 2 895 . 131 MET HB3 H 2.23 0.02 2 896 . 131 MET CG C 32.5 0.15 1 897 . 131 MET HG2 H 2.70 0.02 2 898 . 131 MET HG3 H 2.59 0.02 2 899 . 131 MET C C 177.9 0.15 1 900 . 132 SER N N 113.1 0.25 1 901 . 132 SER H H 7.73 0.02 1 902 . 132 SER CA C 61.7 0.15 1 903 . 132 SER HA H 4.02 0.02 1 904 . 132 SER CB C 63.0 0.15 1 905 . 132 SER HB2 H 4.19 0.02 2 906 . 132 SER HB3 H 4.05 0.02 2 907 . 132 SER C C 177.0 0.15 1 908 . 133 VAL N N 124.6 0.25 1 909 . 133 VAL H H 7.64 0.02 1 910 . 133 VAL CA C 66.3 0.15 1 911 . 133 VAL HA H 3.85 0.02 1 912 . 133 VAL CB C 31.7 0.15 1 913 . 133 VAL HB H 2.10 0.02 1 914 . 133 VAL HG1 H 1.09 0.02 2 915 . 133 VAL HG2 H 1.05 0.02 2 916 . 133 VAL CG1 C 21.9 0.15 1 917 . 133 VAL CG2 C 21.3 0.15 1 918 . 133 VAL C C 178.2 0.15 1 919 . 134 ALA N N 123.1 0.25 1 920 . 134 ALA H H 8.53 0.02 1 921 . 134 ALA CA C 55.9 0.15 1 922 . 134 ALA HA H 3.86 0.02 1 923 . 134 ALA HB H 1.01 0.02 1 924 . 134 ALA CB C 17.0 0.15 1 925 . 134 ALA C C 179.4 0.15 1 926 . 135 LYS N N 115.6 0.25 1 927 . 135 LYS H H 8.54 0.02 1 928 . 135 LYS CA C 61.4 0.15 1 929 . 135 LYS HA H 3.92 0.02 1 930 . 135 LYS CB C 32.5 0.15 1 931 . 135 LYS HB2 H 2.01 0.02 2 932 . 135 LYS HB3 H 1.72 0.02 2 933 . 135 LYS HG2 H 1.89 0.02 2 934 . 135 LYS C C 179.2 0.15 1 935 . 136 THR N N 117.9 0.25 1 936 . 136 THR H H 7.90 0.02 1 937 . 136 THR CA C 67.4 0.15 1 938 . 136 THR HA H 3.97 0.02 1 939 . 136 THR CB C 68.2 0.15 1 940 . 136 THR HB H 4.67 0.02 1 941 . 136 THR HG2 H 1.26 0.02 1 942 . 136 THR CG2 C 21.9 0.15 1 943 . 136 THR C C 175.9 0.15 1 944 . 137 ILE N N 121.6 0.25 1 945 . 137 ILE H H 8.55 0.02 1 946 . 137 ILE CA C 67.1 0.15 1 947 . 137 ILE HA H 3.90 0.02 1 948 . 137 ILE CB C 38.8 0.15 1 949 . 137 ILE HB H 2.28 0.02 1 950 . 137 ILE HG2 H 0.94 0.02 1 951 . 137 ILE CG2 C 18.0 0.15 1 952 . 137 ILE CG1 C 30.0 0.15 1 953 . 137 ILE HG12 H 2.23 0.02 2 954 . 137 ILE HG13 H 1.00 0.02 2 955 . 137 ILE HD1 H 0.80 0.02 1 956 . 137 ILE CD1 C 14.5 0.15 1 957 . 137 ILE C C 177.4 0.15 1 958 . 138 LEU N N 118.6 0.25 1 959 . 138 LEU H H 8.77 0.02 1 960 . 138 LEU CA C 59.2 0.15 1 961 . 138 LEU HA H 4.29 0.02 1 962 . 138 LEU CB C 40.9 0.15 1 963 . 138 LEU HB2 H 1.98 0.02 2 964 . 138 LEU CG C 27.6 0.15 1 965 . 138 LEU HG H 2.20 0.02 1 966 . 138 LEU HD1 H 1.24 0.02 2 967 . 138 LEU HD2 H 0.97 0.02 2 968 . 138 LEU CD1 C 23.2 0.15 1 969 . 138 LEU CD2 C 27.9 0.15 1 970 . 138 LEU C C 178.4 0.15 1 971 . 139 LYS N N 118.6 0.25 1 972 . 139 LYS H H 8.50 0.02 1 973 . 139 LYS CA C 60.1 0.15 1 974 . 139 LYS HA H 4.06 0.02 1 975 . 139 LYS CB C 31.7 0.15 1 976 . 139 LYS HB2 H 2.13 0.02 2 977 . 139 LYS C C 177.1 0.15 1 978 . 140 ARG N N 116.9 0.25 1 979 . 140 ARG H H 7.67 0.02 1 980 . 140 ARG CA C 60.3 0.15 1 981 . 140 ARG HA H 4.05 0.02 1 982 . 140 ARG CB C 29.8 0.15 1 983 . 140 ARG HB2 H 2.14 0.02 2 984 . 140 ARG C C 178.0 0.15 1 985 . 141 LEU N N 118.6 0.25 1 986 . 141 LEU H H 8.93 0.02 1 987 . 141 LEU CA C 58.3 0.15 1 988 . 141 LEU HA H 4.09 0.02 1 989 . 141 LEU CB C 40.9 0.15 1 990 . 141 LEU HB2 H 1.43 0.02 2 991 . 141 LEU HB3 H 2.34 0.02 2 992 . 141 LEU CG C 26.2 0.15 1 993 . 141 LEU HG H 2.42 0.02 1 994 . 141 LEU HD1 H 1.13 0.02 2 995 . 141 LEU HD2 H 1.09 0.02 2 996 . 141 LEU CD1 C 25.9 0.15 1 997 . 141 LEU CD2 C 22.4 0.15 1 998 . 142 PHE N N 117.9 0.25 1 999 . 142 PHE H H 8.53 0.02 1 1000 . 142 PHE CA C 62.2 0.15 1 1001 . 142 PHE HA H 4.11 0.02 1 1002 . 142 PHE CB C 39.0 0.15 1 1003 . 142 PHE HB2 H 3.71 0.02 2 1004 . 142 PHE HB3 H 3.49 0.02 2 1005 . 142 PHE HD1 H 7.73 0.02 1 1006 . 142 PHE HD2 H 7.73 0.02 1 1007 . 142 PHE HE1 H 7.22 0.02 1 1008 . 142 PHE HE2 H 7.22 0.02 1 1009 . 142 PHE C C 175.5 0.15 1 1010 . 143 ARG N N 116.1 0.25 1 1011 . 143 ARG H H 7.52 0.02 1 1012 . 143 ARG CA C 59.2 0.15 1 1013 . 143 ARG HA H 4.10 0.02 1 1014 . 143 ARG CB C 29.5 0.15 1 1015 . 143 ARG HB2 H 1.87 0.02 2 1016 . 143 ARG C C 177.4 0.15 1 1017 . 144 VAL N N 117.9 0.25 1 1018 . 144 VAL H H 7.57 0.02 1 1019 . 144 VAL CA C 67.1 0.15 1 1020 . 144 VAL HA H 3.39 0.02 1 1021 . 144 VAL CB C 30.6 0.15 1 1022 . 144 VAL HB H 2.10 0.02 1 1023 . 144 VAL HG1 H 0.93 0.02 2 1024 . 144 VAL HG2 H 0.67 0.02 2 1025 . 144 VAL CG1 C 23.5 0.15 1 1026 . 144 VAL CG2 C 21.3 0.15 1 1027 . 144 VAL C C 178.1 0.15 1 1028 . 145 TYR N N 117.1 0.25 1 1029 . 145 TYR H H 6.98 0.02 1 1030 . 145 TYR CA C 63.3 0.15 1 1031 . 145 TYR HA H 3.90 0.02 1 1032 . 145 TYR CB C 38.2 0.15 1 1033 . 145 TYR HB2 H 2.59 0.02 2 1034 . 145 TYR HB3 H 2.90 0.02 2 1035 . 145 TYR HD1 H 6.68 0.02 1 1036 . 145 TYR HD2 H 6.68 0.02 1 1037 . 145 TYR HE1 H 6.05 0.02 1 1038 . 145 TYR HE2 H 6.05 0.02 1 1039 . 145 TYR HH H 8.54 0.02 1 1040 . 145 TYR C C 177.9 0.15 1 1041 . 146 ALA N N 118.9 0.25 1 1042 . 146 ALA H H 8.19 0.02 1 1043 . 146 ALA CA C 55.7 0.15 1 1044 . 146 ALA HA H 3.98 0.02 1 1045 . 146 ALA HB H 1.17 0.02 1 1046 . 146 ALA CB C 17.5 0.15 1 1047 . 146 ALA C C 178.3 0.15 1 1048 . 147 HIS N N 116.4 0.25 1 1049 . 147 HIS H H 8.24 0.02 1 1050 . 147 HIS CA C 60.8 0.15 1 1051 . 147 HIS HA H 4.68 0.02 1 1052 . 147 HIS CB C 29.5 0.15 1 1053 . 147 HIS HB2 H 3.34 0.02 2 1054 . 147 HIS HB3 H 3.38 0.02 2 1055 . 147 HIS HD2 H 6.87 0.02 1 1056 . 147 HIS C C 176.5 0.15 1 1057 . 148 ILE N N 118.1 0.25 1 1058 . 148 ILE H H 8.36 0.02 1 1059 . 148 ILE CA C 67.4 0.15 1 1060 . 148 ILE HA H 3.44 0.02 1 1061 . 148 ILE CB C 37.9 0.15 1 1062 . 148 ILE HB H 1.86 0.02 1 1063 . 148 ILE HG2 H 0.59 0.02 1 1064 . 148 ILE CG2 C 17.8 0.15 1 1065 . 148 ILE CG1 C 28.9 0.15 1 1066 . 148 ILE HG12 H 2.28 0.02 2 1067 . 148 ILE HG13 H 0.91 0.02 2 1068 . 148 ILE HD1 H 0.69 0.02 1 1069 . 148 ILE CD1 C 13.7 0.15 1 1070 . 148 ILE C C 177.7 0.15 1 1071 . 149 TYR N N 116.1 0.25 1 1072 . 149 TYR H H 8.66 0.02 1 1073 . 149 TYR CA C 64.7 0.15 1 1074 . 149 TYR HA H 3.92 0.02 1 1075 . 149 TYR CB C 39.0 0.15 1 1076 . 149 TYR HB2 H 2.51 0.02 2 1077 . 149 TYR HB3 H 2.58 0.02 2 1078 . 149 TYR HD1 H 6.58 0.02 1 1079 . 149 TYR HD2 H 6.58 0.02 1 1080 . 149 TYR HE1 H 6.12 0.02 1 1081 . 149 TYR HE2 H 6.12 0.02 1 1082 . 149 TYR HH H 8.58 0.02 1 1083 . 149 TYR C C 178.1 0.15 1 1084 . 150 HIS N N 113.1 0.25 1 1085 . 150 HIS H H 7.83 0.02 1 1086 . 150 HIS CA C 60.6 0.15 1 1087 . 150 HIS HA H 4.27 0.02 1 1088 . 150 HIS CB C 32.2 0.15 1 1089 . 150 HIS HB2 H 3.12 0.02 2 1090 . 150 HIS HB3 H 3.08 0.02 2 1091 . 150 HIS HD2 H 6.98 0.02 1 1092 . 150 HIS C C 177.4 0.15 1 1093 . 151 GLN N N 113.6 0.25 1 1094 . 151 GLN H H 8.08 0.02 1 1095 . 151 GLN CA C 54.9 0.15 1 1096 . 151 GLN HA H 4.50 0.02 1 1097 . 151 GLN CB C 30.6 0.15 1 1098 . 151 GLN HB2 H 1.12 0.02 2 1099 . 151 GLN CG C 34.4 0.15 1 1100 . 151 GLN HG2 H 2.23 0.02 2 1101 . 151 GLN HG3 H 2.16 0.02 2 1102 . 151 GLN C C 176.6 0.15 1 1103 . 152 HIS N N 113.1 0.25 1 1104 . 152 HIS H H 7.98 0.02 1 1105 . 152 HIS CA C 53.8 0.15 1 1106 . 152 HIS HA H 5.47 0.02 1 1107 . 152 HIS CB C 30.6 0.15 1 1108 . 152 HIS HB2 H 2.80 0.02 2 1109 . 152 HIS HB3 H 3.51 0.02 2 1110 . 152 HIS HD2 H 6.35 0.02 1 1111 . 152 HIS HE1 H 6.87 0.02 1 1112 . 152 HIS C C 174.6 0.15 1 1113 . 153 PHE N N 123.9 0.25 1 1114 . 153 PHE H H 8.16 0.02 1 1115 . 153 PHE CA C 62.5 0.15 1 1116 . 153 PHE HA H 3.87 0.02 1 1117 . 153 PHE CB C 39.0 0.15 1 1118 . 153 PHE HB2 H 3.03 0.02 2 1119 . 153 PHE HB3 H 3.64 0.02 2 1120 . 153 PHE HD1 H 7.04 0.02 1 1121 . 153 PHE HD2 H 7.04 0.02 1 1122 . 153 PHE HE1 H 7.36 0.02 1 1123 . 153 PHE HE2 H 7.36 0.02 1 1124 . 153 PHE C C 176.3 0.15 1 1125 . 154 ASP N N 115.4 0.25 1 1126 . 154 ASP H H 8.49 0.02 1 1127 . 154 ASP CA C 56.8 0.15 1 1128 . 154 ASP HA H 4.11 0.02 1 1129 . 154 ASP CB C 38.8 0.15 1 1130 . 154 ASP HB2 H 2.58 0.02 2 1131 . 154 ASP HB3 H 2.73 0.02 2 1132 . 154 ASP C C 178.0 0.15 1 1133 . 155 ALA N N 125.9 0.25 1 1134 . 155 ALA H H 7.46 0.02 1 1135 . 155 ALA CA C 54.6 0.15 1 1136 . 155 ALA HA H 3.55 0.02 1 1137 . 155 ALA HB H 0.75 0.02 1 1138 . 155 ALA CB C 17.5 0.15 1 1139 . 155 ALA C C 178.4 0.15 1 1140 . 156 VAL N N 116.9 0.25 1 1141 . 156 VAL H H 7.46 0.02 1 1142 . 156 VAL CA C 66.6 0.15 1 1143 . 156 VAL HA H 3.09 0.02 1 1144 . 156 VAL CB C 30.6 0.15 1 1145 . 156 VAL HB H 1.78 0.02 1 1146 . 156 VAL HG1 H 0.70 0.02 2 1147 . 156 VAL HG2 H 0.48 0.02 2 1148 . 156 VAL CG1 C 22.9 0.15 1 1149 . 156 VAL CG2 C 21.0 0.15 1 1150 . 156 VAL C C 177.9 0.15 1 1151 . 157 MET N N 117.4 0.25 1 1152 . 157 MET H H 7.85 0.02 1 1153 . 157 MET CA C 58.4 0.15 1 1154 . 157 MET HA H 4.13 0.02 1 1155 . 157 MET CB C 32.2 0.15 1 1156 . 157 MET HB2 H 2.03 0.02 2 1157 . 157 MET HB3 H 2.21 0.02 2 1158 . 157 MET HG2 H 1.94 0.02 2 1159 . 157 MET HE H 2.03 0.02 1 1160 . 157 MET C C 180.1 0.15 1 1161 . 158 GLN N N 122.4 0.25 1 1162 . 158 GLN H H 8.03 0.02 1 1163 . 158 GLN CA C 58.9 0.15 1 1164 . 158 GLN HA H 3.99 0.02 1 1165 . 158 GLN CB C 28.4 0.15 1 1166 . 158 GLN HB2 H 2.08 0.02 2 1167 . 158 GLN HB3 H 2.16 0.02 2 1168 . 158 GLN CG C 33.9 0.15 1 1169 . 158 GLN HG2 H 2.36 0.02 2 1170 . 158 GLN HG3 H 2.43 0.02 2 1171 . 158 GLN C C 177.7 0.15 1 1172 . 159 LEU N N 117.9 0.25 1 1173 . 159 LEU H H 7.75 0.02 1 1174 . 159 LEU CA C 54.9 0.15 1 1175 . 159 LEU HA H 4.23 0.02 1 1176 . 159 LEU CB C 42.0 0.15 1 1177 . 159 LEU HB2 H 1.54 0.02 2 1178 . 159 LEU HB3 H 1.69 0.02 2 1179 . 159 LEU CG C 26.8 0.15 1 1180 . 159 LEU HG H 1.74 0.02 1 1181 . 159 LEU HD1 H 0.96 0.02 2 1182 . 159 LEU HD2 H 0.81 0.02 2 1183 . 159 LEU CD1 C 22.4 0.15 1 1184 . 159 LEU CD2 C 26.2 0.15 1 1185 . 159 LEU C C 175.6 0.15 1 1186 . 160 GLN N N 114.6 0.25 1 1187 . 160 GLN H H 7.91 0.02 1 1188 . 160 GLN CA C 56.7 0.15 1 1189 . 160 GLN HA H 4.38 0.02 1 1190 . 160 GLN C C 176.7 0.15 1 1191 . 163 ALA CA C 54.9 0.15 1 1192 . 163 ALA HA H 4.36 0.02 1 1193 . 163 ALA HB H 1.35 0.02 1 1194 . 163 ALA CB C 17.5 0.15 1 1195 . 164 HIS N N 120.4 0.25 1 1196 . 164 HIS H H 7.75 0.02 1 1197 . 164 HIS CA C 57.9 0.15 1 1198 . 164 HIS HA H 4.52 0.02 1 1199 . 164 HIS CB C 29.8 0.15 1 1200 . 164 HIS HB2 H 3.31 0.02 2 1201 . 164 HIS HB3 H 3.27 0.02 2 1202 . 165 LEU N N 120.9 0.25 1 1203 . 165 LEU H H 8.20 0.02 1 1204 . 165 LEU CA C 58.9 0.15 1 1205 . 165 LEU HA H 4.12 0.02 1 1206 . 165 LEU CB C 42.0 0.15 1 1207 . 165 LEU HB2 H 1.30 0.02 2 1208 . 165 LEU HB3 H 1.91 0.02 2 1209 . 165 LEU CG C 26.5 0.15 1 1210 . 165 LEU HG H 1.77 0.02 1 1211 . 165 LEU HD1 H 0.87 0.02 2 1212 . 165 LEU HD2 H 0.30 0.02 2 1213 . 165 LEU CD1 C 23.5 0.15 1 1214 . 165 LEU CD2 C 27.6 0.15 1 1215 . 165 LEU C C 178.4 0.15 1 1216 . 166 ASN N N 114.9 0.25 1 1217 . 166 ASN H H 8.86 0.02 1 1218 . 166 ASN CA C 55.7 0.15 1 1219 . 166 ASN HA H 4.72 0.02 1 1220 . 166 ASN CB C 37.9 0.15 1 1221 . 166 ASN HB2 H 3.13 0.02 2 1222 . 166 ASN HB3 H 2.84 0.02 2 1223 . 166 ASN C C 178.3 0.15 1 1224 . 167 THR N N 116.9 0.25 1 1225 . 167 THR H H 8.50 0.02 1 1226 . 167 THR CA C 67.7 0.15 1 1227 . 167 THR HA H 3.93 0.02 1 1228 . 167 THR CB C 68.8 0.15 1 1229 . 167 THR HB H 4.41 0.02 1 1230 . 167 THR HG2 H 1.38 0.02 1 1231 . 167 THR CG2 C 21.6 0.15 1 1232 . 167 THR C C 175.2 0.15 1 1233 . 168 SER N N 116.6 0.25 1 1234 . 168 SER H H 8.00 0.02 1 1235 . 168 SER CA C 61.9 0.15 1 1236 . 168 SER HA H 4.55 0.02 1 1237 . 168 SER CB C 63.8 0.15 1 1238 . 168 SER HB2 H 4.24 0.02 2 1239 . 168 SER HB3 H 4.28 0.02 2 1240 . 168 SER C C 176.2 0.15 1 1241 . 169 PHE N N 119.4 0.25 1 1242 . 169 PHE H H 9.07 0.02 1 1243 . 169 PHE CA C 61.1 0.15 1 1244 . 169 PHE HA H 3.73 0.02 1 1245 . 169 PHE CB C 40.1 0.15 1 1246 . 169 PHE HB2 H 3.06 0.02 2 1247 . 169 PHE HB3 H 3.12 0.02 2 1248 . 169 PHE HD1 H 6.39 0.02 1 1249 . 169 PHE HD2 H 6.39 0.02 1 1250 . 169 PHE HE1 H 6.45 0.02 1 1251 . 169 PHE HE2 H 6.45 0.02 1 1252 . 169 PHE HZ H 6.59 0.02 1 1253 . 169 PHE C C 175.8 0.15 1 1254 . 170 LYS N N 118.6 0.25 1 1255 . 170 LYS H H 8.32 0.02 1 1256 . 170 LYS CA C 60.0 0.15 1 1257 . 170 LYS HA H 3.32 0.02 1 1258 . 170 LYS CB C 32.5 0.15 1 1259 . 170 LYS HB2 H 1.65 0.02 2 1260 . 170 LYS HB3 H 1.81 0.02 2 1261 . 171 HIS N N 117.9 0.25 1 1262 . 171 HIS H H 8.01 0.02 1 1263 . 171 HIS CA C 58.7 0.15 1 1264 . 171 HIS HA H 4.20 0.02 1 1265 . 171 HIS CB C 32.5 0.15 1 1266 . 171 HIS HB2 H 3.35 0.02 2 1267 . 171 HIS HB3 H 3.73 0.02 2 1268 . 171 HIS HD2 H 7.26 0.02 1 1269 . 171 HIS HE1 H 7.01 0.02 1 1270 . 171 HIS C C 176.2 0.15 1 1271 . 172 PHE N N 119.4 0.25 1 1272 . 172 PHE H H 8.23 0.02 1 1273 . 172 PHE CA C 61.0 0.15 1 1274 . 172 PHE HA H 2.99 0.02 1 1275 . 172 PHE CB C 38.8 0.15 1 1276 . 172 PHE HB2 H 2.73 0.02 2 1277 . 172 PHE HB3 H 3.03 0.02 2 1278 . 172 PHE HD1 H 6.52 0.02 1 1279 . 172 PHE HD2 H 6.52 0.02 1 1280 . 172 PHE HE1 H 7.23 0.02 1 1281 . 172 PHE HE2 H 7.23 0.02 1 1282 . 172 PHE HZ H 7.73 0.02 1 1283 . 172 PHE C C 176.6 0.15 1 1284 . 173 ILE N N 119.1 0.25 1 1285 . 173 ILE H H 8.82 0.02 1 1286 . 173 ILE CA C 60.0 0.15 1 1287 . 173 ILE HA H 3.71 0.02 1 1288 . 173 ILE CB C 35.8 0.15 1 1289 . 173 ILE HB H 1.40 0.02 1 1290 . 173 ILE HG2 H 0.67 0.02 1 1291 . 173 ILE CG2 C 18.6 0.15 1 1292 . 173 ILE CG1 C 27.6 0.15 1 1293 . 173 ILE HG12 H 1.37 0.02 2 1294 . 173 ILE HG13 H 0.98 0.02 2 1295 . 173 ILE HD1 H 0.69 0.02 1 1296 . 173 ILE CD1 C 11.0 0.15 1 1297 . 173 ILE C C 178.2 0.15 1 1298 . 174 PHE N N 121.9 0.25 1 1299 . 174 PHE H H 8.93 0.02 1 1300 . 174 PHE CA C 58.7 0.15 1 1301 . 174 PHE HA H 4.48 0.02 1 1302 . 174 PHE CB C 36.6 0.15 1 1303 . 174 PHE HB2 H 3.12 0.02 2 1304 . 174 PHE HB3 H 3.52 0.02 2 1305 . 174 PHE HD1 H 7.02 0.02 1 1306 . 174 PHE HD2 H 7.02 0.02 1 1307 . 174 PHE HE1 H 7.31 0.02 1 1308 . 174 PHE HE2 H 7.31 0.02 1 1309 . 174 PHE C C 179.1 0.15 1 1310 . 175 PHE N N 123.4 0.25 1 1311 . 175 PHE H H 8.60 0.02 1 1312 . 175 PHE CA C 62.2 0.15 1 1313 . 175 PHE HA H 4.18 0.02 1 1314 . 175 PHE CB C 40.5 0.15 1 1315 . 175 PHE HB2 H 3.49 0.02 2 1316 . 175 PHE HB3 H 3.44 0.02 2 1317 . 175 PHE C C 175.9 0.15 1 1318 . 176 VAL N N 114.4 0.25 1 1319 . 176 VAL H H 8.54 0.02 1 1320 . 176 VAL CA C 66.0 0.15 1 1321 . 176 VAL HA H 3.60 0.02 1 1322 . 176 VAL CB C 31.4 0.15 1 1323 . 176 VAL HB H 2.04 0.02 1 1324 . 176 VAL HG1 H 0.70 0.02 2 1325 . 176 VAL HG2 H 0.66 0.02 2 1326 . 176 VAL CG1 C 21.0 0.15 1 1327 . 176 VAL CG2 C 21.9 0.15 1 1328 . 176 VAL C C 178.8 0.15 1 1329 . 177 GLN N N 118.1 0.25 1 1330 . 177 GLN H H 8.57 0.02 1 1331 . 177 GLN CA C 58.7 0.15 1 1332 . 177 GLN HA H 4.12 0.02 1 1333 . 177 GLN CB C 28.9 0.15 1 1334 . 177 GLN HB2 H 1.87 0.02 2 1335 . 177 GLN HB3 H 2.10 0.02 2 1336 . 177 GLN CG C 34.4 0.15 1 1337 . 177 GLN HG2 H 2.21 0.02 2 1338 . 177 GLN HG3 H 2.62 0.02 2 1339 . 177 GLN C C 178.5 0.15 1 1340 . 178 GLU N N 122.1 0.25 1 1341 . 178 GLU H H 7.81 0.02 1 1342 . 178 GLU CA C 58.4 0.15 1 1343 . 178 GLU HA H 3.74 0.02 1 1344 . 178 GLU CB C 28.7 0.15 1 1345 . 178 GLU HB2 H 1.92 0.02 2 1346 . 178 GLU HB3 H 1.41 0.02 2 1347 . 178 GLU C C 176.7 0.15 1 1348 . 179 PHE N N 110.6 0.25 1 1349 . 179 PHE H H 6.49 0.02 1 1350 . 179 PHE CA C 57.0 0.15 1 1351 . 179 PHE HA H 4.67 0.02 1 1352 . 179 PHE CB C 39.3 0.15 1 1353 . 179 PHE HB2 H 2.13 0.02 2 1354 . 179 PHE HB3 H 3.41 0.02 2 1355 . 179 PHE HD1 H 6.97 0.02 1 1356 . 179 PHE HD2 H 6.97 0.02 1 1357 . 179 PHE HE1 H 7.46 0.02 1 1358 . 179 PHE HE2 H 7.46 0.02 1 1359 . 179 PHE HZ H 7.63 0.02 1 1360 . 179 PHE C C 173.6 0.15 1 1361 . 180 ASN N N 119.4 0.25 1 1362 . 180 ASN H H 7.68 0.02 1 1363 . 180 ASN CA C 54.0 0.15 1 1364 . 180 ASN HA H 4.44 0.02 1 1365 . 180 ASN CB C 36.9 0.15 1 1366 . 180 ASN HB2 H 2.66 0.02 2 1367 . 180 ASN HB3 H 3.08 0.02 2 1368 . 181 LEU N N 114.9 0.25 1 1369 . 181 LEU H H 8.40 0.02 1 1370 . 181 LEU CA C 56.2 0.15 1 1371 . 181 LEU HA H 4.15 0.02 1 1372 . 181 LEU CB C 43.7 0.15 1 1373 . 181 LEU HB2 H 2.05 0.02 2 1374 . 181 LEU HB3 H 1.66 0.02 2 1375 . 181 LEU C C 175.1 0.15 1 1376 . 182 ILE N N 113.6 0.25 1 1377 . 182 ILE H H 6.97 0.02 1 1378 . 182 ILE CA C 60.3 0.15 1 1379 . 182 ILE HA H 4.05 0.02 1 1380 . 182 ILE CB C 41.8 0.15 1 1381 . 182 ILE HB H 1.15 0.02 1 1382 . 182 ILE HG2 H 0.83 0.02 1 1383 . 182 ILE CG2 C 17.2 0.15 1 1384 . 182 ILE HG12 H 1.33 0.02 2 1385 . 182 ILE HG13 H 0.93 0.02 2 1386 . 182 ILE HD1 H 0.82 0.02 1 1387 . 182 ILE CD1 C 15.3 0.15 1 1388 . 182 ILE C C 173.6 0.15 1 1389 . 183 ASP N N 127.4 0.25 1 1390 . 183 ASP H H 8.60 0.02 1 1391 . 183 ASP CA C 54.3 0.15 1 1392 . 183 ASP C C 176.6 0.15 1 1393 . 185 ARG CA C 59.1 0.15 1 1394 . 186 GLU N N 118.4 0.25 1 1395 . 186 GLU H H 7.62 0.02 1 1396 . 186 GLU CA C 57.3 0.15 1 1397 . 186 GLU HA H 4.03 0.02 1 1398 . 186 GLU CB C 28.7 0.15 1 1399 . 186 GLU HB2 H 1.89 0.02 2 1400 . 186 GLU HB3 H 2.04 0.02 2 1401 . 186 GLU HG2 H 2.23 0.02 2 1402 . 186 GLU C C 176.5 0.15 1 1403 . 187 LEU N N 113.6 0.25 1 1404 . 187 LEU H H 6.91 0.02 1 1405 . 187 LEU CA C 54.6 0.15 1 1406 . 187 LEU HA H 3.74 0.02 1 1407 . 187 LEU CB C 41.2 0.15 1 1408 . 187 LEU HB2 H 1.33 0.02 2 1409 . 187 LEU HB3 H 1.61 0.02 2 1410 . 187 LEU CG C 25.7 0.15 1 1411 . 187 LEU HG H 1.37 0.02 1 1412 . 187 LEU HD1 H 0.62 0.02 2 1413 . 187 LEU HD2 H -0.03 0.02 2 1414 . 187 LEU CD1 C 25.1 0.15 1 1415 . 187 LEU CD2 C 22.1 0.15 1 1416 . 188 ALA N N 120.1 0.25 1 1417 . 188 ALA H H 6.80 0.02 1 1418 . 188 ALA CA C 56.5 0.15 1 1419 . 188 ALA HA H 4.26 0.02 1 1420 . 188 ALA HB H 1.55 0.02 1 1421 . 188 ALA CB C 17.2 0.15 1 1422 . 188 ALA C C 175.8 0.15 1 1423 . 189 PRO CD C 50.2 0.15 1 1424 . 189 PRO CA C 65.8 0.15 1 1425 . 189 PRO HA H 4.28 0.02 1 1426 . 189 PRO HB2 H 1.47 0.02 2 1427 . 189 PRO HB3 H 1.76 0.02 2 1428 . 189 PRO HD2 H 3.09 0.02 2 1429 . 189 PRO HD3 H 3.68 0.02 2 1430 . 190 LEU N N 113.9 0.25 1 1431 . 190 LEU H H 8.08 0.02 1 1432 . 190 LEU CA C 52.7 0.15 1 1433 . 190 LEU HA H 5.26 0.02 1 1434 . 190 LEU CB C 42.5 0.15 1 1435 . 190 LEU HB2 H 1.73 0.02 2 1436 . 190 LEU HB3 H 2.00 0.02 2 1437 . 190 LEU CG C 27.3 0.15 1 1438 . 190 LEU HG H 1.36 0.02 1 1439 . 190 LEU HD1 H 0.69 0.02 2 1440 . 190 LEU CD1 C 23.2 0.15 1 1441 . 190 LEU C C 176.0 0.15 1 1442 . 191 GLN N N 121.9 0.25 1 1443 . 191 GLN H H 7.78 0.02 1 1444 . 191 GLN CA C 60.0 0.15 1 1445 . 191 GLN HA H 3.85 0.02 1 1446 . 191 GLN CB C 28.4 0.15 1 1447 . 191 GLN HB2 H 2.32 0.02 2 1448 . 191 GLN HB3 H 2.05 0.02 2 1449 . 191 GLN CG C 36.6 0.15 1 1450 . 191 GLN HG2 H 2.44 0.02 2 1451 . 191 GLN C C 176.8 0.15 1 1452 . 192 GLU CA C 59.8 0.15 1 1453 . 192 GLU HA H 4.03 0.02 1 1454 . 192 GLU CB C 28.9 0.15 1 1455 . 192 GLU HB2 H 1.95 0.02 2 1456 . 192 GLU HB3 H 2.06 0.02 2 1457 . 192 GLU HG2 H 2.31 0.02 2 1458 . 193 LEU N N 120.9 0.25 1 1459 . 193 LEU H H 7.45 0.02 1 1460 . 193 LEU CA C 57.6 0.15 1 1461 . 193 LEU HA H 4.01 0.02 1 1462 . 193 LEU CB C 42.0 0.15 1 1463 . 193 LEU HB2 H 1.34 0.02 2 1464 . 193 LEU HB3 H 1.57 0.02 2 1465 . 193 LEU CG C 27.3 0.15 1 1466 . 193 LEU HG H 1.31 0.02 1 1467 . 193 LEU HD1 H 0.47 0.02 2 1468 . 193 LEU HD2 H 0.03 0.02 2 1469 . 193 LEU CD1 C 23.5 0.15 1 1470 . 193 LEU CD2 C 25.1 0.15 1 1471 . 193 LEU C C 178.4 0.15 1 1472 . 194 ILE N N 119.4 0.25 1 1473 . 194 ILE H H 8.45 0.02 1 1474 . 194 ILE CA C 66.0 0.15 1 1475 . 194 ILE HA H 3.48 0.02 1 1476 . 194 ILE CB C 38.2 0.15 1 1477 . 194 ILE HB H 1.92 0.02 1 1478 . 194 ILE HG2 H 0.85 0.02 1 1479 . 194 ILE CG2 C 17.0 0.15 1 1480 . 194 ILE CG1 C 30.9 0.15 1 1481 . 194 ILE HG12 H 0.99 0.02 2 1482 . 194 ILE HD1 H 0.97 0.02 1 1483 . 194 ILE CD1 C 15.9 0.15 1 1484 . 194 ILE C C 178.8 0.15 1 1485 . 195 GLU N N 119.6 0.25 1 1486 . 195 GLU H H 8.20 0.02 1 1487 . 195 GLU CA C 58.9 0.15 1 1488 . 195 GLU HA H 4.03 0.02 1 1489 . 195 GLU CB C 29.5 0.15 1 1490 . 195 GLU HB2 H 2.11 0.02 2 1491 . 195 GLU CG C 36.6 0.15 1 1492 . 195 GLU HG2 H 2.31 0.02 2 1493 . 195 GLU HG3 H 2.45 0.02 2 1494 . 195 GLU C C 178.8 0.15 1 1495 . 196 LYS N N 118.9 0.25 1 1496 . 196 LYS H H 7.62 0.02 1 1497 . 196 LYS CA C 58.7 0.15 1 1498 . 196 LYS HA H 4.19 0.02 1 1499 . 196 LYS CB C 32.5 0.15 1 1500 . 196 LYS HB2 H 1.96 0.02 2 1501 . 196 LYS CG C 25.1 0.15 1 1502 . 196 LYS HG2 H 1.62 0.02 2 1503 . 196 LYS HG3 H 1.49 0.02 2 1504 . 196 LYS HE3 H 2.95 0.02 2 1505 . 196 LYS C C 178.4 0.15 1 1506 . 197 LEU N N 118.9 0.25 1 1507 . 197 LEU H H 8.12 0.02 1 1508 . 197 LEU CA C 56.5 0.15 1 1509 . 197 LEU HA H 4.28 0.02 1 1510 . 197 LEU CB C 42.3 0.15 1 1511 . 197 LEU HB2 H 1.50 0.02 2 1512 . 197 LEU HB3 H 2.03 0.02 2 1513 . 197 LEU CG C 26.2 0.15 1 1514 . 197 LEU HG H 2.05 0.02 1 1515 . 197 LEU HD1 H 0.87 0.02 2 1516 . 197 LEU CD1 C 25.9 0.15 1 1517 . 197 LEU CD2 C 22.9 0.15 1 1518 . 197 LEU C C 178.2 0.15 1 1519 . 200 LYS CA C 56.4 0.15 1 1520 . 200 LYS HA H 4.34 0.02 1 1521 . 200 LYS CB C 33.0 0.15 1 1522 . 200 LYS HB2 H 1.77 0.02 2 1523 . 200 LYS HB3 H 1.88 0.02 2 1524 . 200 LYS HG2 H 1.66 0.02 2 1525 . 200 LYS HD2 H 1.41 0.02 2 1526 . 201 ASP CA C 54.6 0.15 1 1527 . 201 ASP HA H 4.61 0.02 1 1528 . 201 ASP CB C 41.2 0.15 1 1529 . 201 ASP HB2 H 2.73 0.02 2 1530 . 201 ASP HB3 H 2.61 0.02 2 1531 . 201 ASP C C 174.7 0.15 1 1532 . 202 ARG N N 125.4 0.25 1 1533 . 202 ARG H H 7.72 0.02 1 1534 . 202 ARG CA C 57.3 0.15 1 1535 . 202 ARG HA H 4.16 0.02 1 1536 . 202 ARG CB C 31.7 0.15 1 1537 . 202 ARG HB2 H 1.71 0.02 2 1538 . 202 ARG HB3 H 1.83 0.02 2 1539 . 202 ARG CG C 27.0 0.15 1 1540 . 202 ARG HG2 H 1.57 0.02 2 1541 . 202 ARG CD C 43.4 0.15 1 1542 . 202 ARG HD2 H 3.17 0.02 2 1543 . 202 ARG C C 180.5 0.15 1 stop_ save_