data_6120 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for NESG target CcR19 ; _BMRB_accession_number 6120 _BMRB_flat_file_name bmr6120.str _Entry_type original _Submission_date 2004-02-24 _Accession_date 2004-03-02 _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 Shen Yang . . 2 Hanudatta Atreya S. . 3 Xiao Rong . . 4 Acton Thomas B. . 5 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 808 "13C chemical shifts" 589 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-23 original author . stop_ _Original_release_date 2004-07-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments for the 18 kDa protein CC1736 from Caulobacter crescentus' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11259647 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shen Yang . . 2 Hanudatta Atreya S. . 3 Xiao Rong . . 4 Acton Thomas B. . 5 Shastry Ritu . . 6 Ma LiChung . . 7 Montelione Gaetano T. . 8 Szyperski Thomas . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 549 _Page_last 550 _Year 2004 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Nierman WC, Feldblyum TV, Laub MT, Paulsen IT, Nelson KE, Eisen JA, Heidelberg JF, Alley MR, Ohta N, Maddock JR, Potocka I, Nelson WC, Newton A, Stephens C, Phadke ND, Ely B, DeBoy RT, Dodson RJ, Durkin AS, Gwinn ML, Haft DH, Kolonay JF, Smit J, Craven MB, Khouri H, Shetty J, Berry K, Utterback T, Tran K, Wolf A, Vamathevan J, Ermolaeva M, White O, Salzberg SL, Venter JC, Shapiro L, Fraser CM, Eisen J. Related Articles, Links Free in PMC Complete genome sequence of Caulobacter crescentus. Proc Natl Acad Sci U S A. 2001 Mar 27;98(7):4136-41 ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11259647 _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_CC1736 _Saveframe_category molecular_system _Mol_system_name 'Hypothetical protein CC1736' _Abbreviation_common CC1736 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CC1736 $CC1736 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CC1736 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Hypothetical protein CC1736' _Abbreviation_common CC1736 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; MHRHVVTKVLPYTPDQLFEL VGDVDAYPKFVPWITGMRTW NGRVDGAVSTVDAEAQVGFS FLREKFATRVRRDKDARSID VSLLYGPFKRLNNGWRFMPE GDATRVEFVIEFAFKSALLD AMLAANVDRAAGKLIACFEA RAQQLHGA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 ARG 4 HIS 5 VAL 6 VAL 7 THR 8 LYS 9 VAL 10 LEU 11 PRO 12 TYR 13 THR 14 PRO 15 ASP 16 GLN 17 LEU 18 PHE 19 GLU 20 LEU 21 VAL 22 GLY 23 ASP 24 VAL 25 ASP 26 ALA 27 TYR 28 PRO 29 LYS 30 PHE 31 VAL 32 PRO 33 TRP 34 ILE 35 THR 36 GLY 37 MET 38 ARG 39 THR 40 TRP 41 ASN 42 GLY 43 ARG 44 VAL 45 ASP 46 GLY 47 ALA 48 VAL 49 SER 50 THR 51 VAL 52 ASP 53 ALA 54 GLU 55 ALA 56 GLN 57 VAL 58 GLY 59 PHE 60 SER 61 PHE 62 LEU 63 ARG 64 GLU 65 LYS 66 PHE 67 ALA 68 THR 69 ARG 70 VAL 71 ARG 72 ARG 73 ASP 74 LYS 75 ASP 76 ALA 77 ARG 78 SER 79 ILE 80 ASP 81 VAL 82 SER 83 LEU 84 LEU 85 TYR 86 GLY 87 PRO 88 PHE 89 LYS 90 ARG 91 LEU 92 ASN 93 ASN 94 GLY 95 TRP 96 ARG 97 PHE 98 MET 99 PRO 100 GLU 101 GLY 102 ASP 103 ALA 104 THR 105 ARG 106 VAL 107 GLU 108 PHE 109 VAL 110 ILE 111 GLU 112 PHE 113 ALA 114 PHE 115 LYS 116 SER 117 ALA 118 LEU 119 LEU 120 ASP 121 ALA 122 MET 123 LEU 124 ALA 125 ALA 126 ASN 127 VAL 128 ASP 129 ARG 130 ALA 131 ALA 132 GLY 133 LYS 134 LEU 135 ILE 136 ALA 137 CYS 138 PHE 139 GLU 140 ALA 141 ARG 142 ALA 143 GLN 144 GLN 145 LEU 146 HIS 147 GLY 148 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-12-21 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 1T17 "Solution Structure Of The 18 Kda Protein Cc1736 From Caulobacter Crescentus: The Northeast Structural Genomics Consortium Targe" 100.00 148 100.00 100.00 1.48e-103 GB AAK23712 "conserved hypothetical protein [Caulobacter crescentus CB15]" 100.00 148 100.00 100.00 1.48e-103 GB ACL95275 "coenzyme Q-binding protein [Caulobacter crescentus NA1000]" 100.00 148 100.00 100.00 1.48e-103 REF NP_420544 "hypothetical protein CC_1736 [Caulobacter crescentus CB15]" 100.00 148 100.00 100.00 1.48e-103 REF WP_010919604 "cyclase [Caulobacter vibrioides]" 100.00 148 100.00 100.00 1.48e-103 REF YP_002517183 "coenzyme Q-binding protein [Caulobacter crescentus NA1000]" 100.00 148 100.00 100.00 1.48e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CC1736 'Caulobacter vibrioides' 190650 Bacteria . Caulobacter vibrioides 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 $CC1736 'obtained from vendor' . . . . . 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 $CC1736 1.1 mM '[U-13C; U-15N]' D2O 5 % . NaN3 0.02 % . DTT 10 mM . CaCl2 5 mM . NaCl 100 mM . MES 20 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _Sample_label $sample_1 save_ save_CBCAcoNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_CAcoNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CAcoNH _Sample_label $sample_1 save_ save_RD-HNCAHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name RD-HNCAHA _Sample_label $sample_1 save_ save_RD-HCCHCOSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name RD-HCCHCOSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 . direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name CC1736 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET CA C 54.4 . 1 2 . 1 MET HA H 4.17 . 1 3 . 1 MET CB C 42.9 . 1 4 . 1 MET HB2 H 1.32 . 2 5 . 1 MET HB3 H 1.49 . 2 6 . 1 MET CG C 26.8 . 1 7 . 1 MET HG2 H 1.31 . 1 8 . 1 MET HG3 H 1.31 . 1 9 . 1 MET C C 175.3 . 1 10 . 2 HIS N N 124.0 . 1 11 . 2 HIS H H 8.15 . 1 12 . 2 HIS CA C 55.0 . 1 13 . 2 HIS HA H 4.50 . 1 14 . 2 HIS CB C 30.2 . 1 15 . 2 HIS HB2 H 2.53 . 1 16 . 2 HIS HB3 H 2.53 . 1 17 . 2 HIS CD2 C 121.1 . 1 18 . 2 HIS HD2 H 6.89 . 1 19 . 2 HIS C C 173.5 . 1 20 . 3 ARG N N 122.4 . 1 21 . 3 ARG H H 8.48 . 1 22 . 3 ARG CA C 54.2 . 1 23 . 3 ARG HA H 5.51 . 1 24 . 3 ARG CB C 33.3 . 1 25 . 3 ARG HB2 H 1.69 . 2 26 . 3 ARG HB3 H 1.53 . 2 27 . 3 ARG CG C 28.1 . 1 28 . 3 ARG HG2 H 1.46 . 2 29 . 3 ARG HG3 H 1.35 . 2 30 . 4 HIS N N 125.1 . 1 31 . 4 HIS H H 9.09 . 1 32 . 4 HIS CA C 55.8 . 1 33 . 4 HIS HA H 4.95 . 1 34 . 4 HIS CB C 34.9 . 1 35 . 4 HIS HB2 H 2.90 . 2 36 . 4 HIS HB3 H 2.85 . 2 37 . 4 HIS CD2 C 119.3 . 1 38 . 4 HIS HD2 H 6.41 . 1 39 . 4 HIS C C 172.4 . 1 40 . 5 VAL N N 123.9 . 1 41 . 5 VAL H H 7.61 . 1 42 . 5 VAL CA C 60.1 . 1 43 . 5 VAL HA H 5.05 . 1 44 . 5 VAL CB C 34.4 . 1 45 . 5 VAL HB H 1.83 . 1 46 . 5 VAL HG1 H 0.81 . 2 47 . 5 VAL HG2 H 0.84 . 2 48 . 5 VAL CG1 C 20.6 . 1 49 . 5 VAL CG2 C 20.6 . 1 50 . 5 VAL C C 174.7 . 1 51 . 6 VAL N N 125.6 . 1 52 . 6 VAL H H 9.16 . 1 53 . 6 VAL CA C 60.9 . 1 54 . 6 VAL HA H 4.35 . 1 55 . 6 VAL CB C 35.7 . 1 56 . 6 VAL HB H 1.82 . 1 57 . 6 VAL HG1 H 0.90 . 1 58 . 6 VAL HG2 H 0.84 . 1 59 . 6 VAL CG1 C 21.5 . 1 60 . 6 VAL CG2 C 20.6 . 1 61 . 6 VAL C C 173.5 . 1 62 . 7 THR N N 119.7 . 1 63 . 7 THR H H 8.31 . 1 64 . 7 THR CA C 59.5 . 1 65 . 7 THR HA H 5.65 . 1 66 . 7 THR CB C 70.8 . 1 67 . 7 THR HB H 3.91 . 1 68 . 7 THR HG2 H 1.13 . 1 69 . 7 THR CG2 C 20.9 . 1 70 . 7 THR C C 173.9 . 1 71 . 8 LYS N N 124.5 . 1 72 . 8 LYS H H 8.81 . 1 73 . 8 LYS CA C 54.8 . 1 74 . 8 LYS HA H 4.66 . 1 75 . 8 LYS CB C 37.0 . 1 76 . 8 LYS HB2 H 1.64 . 2 77 . 8 LYS HB3 H 1.72 . 2 78 . 8 LYS CG C 24.9 . 1 79 . 8 LYS HG2 H 1.41 . 1 80 . 8 LYS HG3 H 1.41 . 1 81 . 8 LYS CD C 29.1 . 1 82 . 8 LYS HD2 H 1.74 . 1 83 . 8 LYS HD3 H 1.74 . 1 84 . 8 LYS C C 173.9 . 1 85 . 9 VAL N N 125.1 . 1 86 . 9 VAL H H 8.69 . 1 87 . 9 VAL CA C 61.6 . 1 88 . 9 VAL HA H 5.22 . 1 89 . 9 VAL CB C 31.9 . 1 90 . 9 VAL HB H 1.93 . 1 91 . 9 VAL HG1 H 0.89 . 2 92 . 9 VAL HG2 H 0.78 . 2 93 . 9 VAL CG1 C 21.4 . 1 94 . 9 VAL CG2 C 21.1 . 1 95 . 9 VAL C C 176.0 . 1 96 . 10 LEU N N 128.2 . 1 97 . 10 LEU H H 9.43 . 1 98 . 10 LEU CA C 51.1 . 1 99 . 10 LEU HA H 5.19 . 1 100 . 10 LEU CB C 46.1 . 1 101 . 10 LEU HB2 H 1.80 . 2 102 . 10 LEU HB3 H 1.68 . 2 103 . 10 LEU CG C 28.2 . 1 104 . 10 LEU HG H 1.86 . 1 105 . 10 LEU HD1 H 1.09 . 2 106 . 10 LEU HD2 H 0.99 . 2 107 . 10 LEU CD1 C 24.5 . 1 108 . 10 LEU CD2 C 24.9 . 1 109 . 11 PRO CA C 62.8 . 1 110 . 11 PRO HA H 4.62 . 1 111 . 11 PRO CB C 28.2 . 1 112 . 11 PRO HB2 H 2.13 . 2 113 . 11 PRO HB3 H 1.64 . 2 114 . 11 PRO HD2 H 3.55 . 2 115 . 11 PRO HD3 H 3.74 . 2 116 . 11 PRO C C 173.1 . 1 117 . 12 TYR N N 118.1 . 1 118 . 12 TYR H H 8.07 . 1 119 . 12 TYR CA C 56.4 . 1 120 . 12 TYR HA H 4.77 . 1 121 . 12 TYR CB C 41.8 . 1 122 . 12 TYR HB2 H 3.51 . 1 123 . 12 TYR HB3 H 3.51 . 1 124 . 12 TYR HD1 H 6.84 . 1 125 . 12 TYR HD2 H 6.84 . 1 126 . 12 TYR HE1 H 6.66 . 1 127 . 12 TYR HE2 H 6.66 . 1 128 . 12 TYR CD1 C 132.6 . 1 129 . 12 TYR CE1 C 117.5 . 1 130 . 12 TYR C C 174.9 . 1 131 . 13 THR N N 112.2 . 1 132 . 13 THR H H 8.48 . 1 133 . 13 THR CA C 60.2 . 1 134 . 13 THR HA H 4.55 . 1 135 . 13 THR CB C 67.8 . 1 136 . 13 THR HB H 4.60 . 1 137 . 13 THR HG2 H 1.20 . 1 138 . 13 THR CG2 C 21.5 . 1 139 . 14 PRO CA C 66.1 . 1 140 . 14 PRO HA H 4.13 . 1 141 . 14 PRO CB C 31.6 . 1 142 . 14 PRO HB2 H 2.11 . 1 143 . 14 PRO HB3 H 2.11 . 1 144 . 14 PRO CG C 32.8 . 1 145 . 14 PRO HG2 H 1.90 . 1 146 . 14 PRO HG3 H 1.90 . 1 147 . 14 PRO HD2 H 3.75 . 1 148 . 14 PRO HD3 H 3.75 . 1 149 . 14 PRO C C 178.7 . 1 150 . 15 ASP N N 113.3 . 1 151 . 15 ASP H H 7.97 . 1 152 . 15 ASP CA C 57.7 . 1 153 . 15 ASP HA H 4.36 . 1 154 . 15 ASP CB C 40.8 . 1 155 . 15 ASP HB2 H 2.36 . 1 156 . 15 ASP HB3 H 2.65 . 1 157 . 15 ASP C C 178.3 . 1 158 . 16 GLN N N 118.6 . 1 159 . 16 GLN H H 7.59 . 1 160 . 16 GLN CA C 58.3 . 1 161 . 16 GLN HA H 3.76 . 1 162 . 16 GLN CB C 27.9 . 1 163 . 16 GLN HB2 H 2.17 . 1 164 . 16 GLN HB3 H 2.35 . 1 165 . 16 GLN CG C 33.8 . 1 166 . 16 GLN HG2 H 2.52 . 2 167 . 16 GLN HG3 H 2.44 . 2 168 . 16 GLN C C 180.2 . 1 169 . 17 LEU N N 117.6 . 1 170 . 17 LEU H H 7.52 . 1 171 . 17 LEU CA C 57.1 . 1 172 . 17 LEU HA H 3.77 . 1 173 . 17 LEU CB C 42.2 . 1 174 . 17 LEU HB2 H 1.57 . 1 175 . 17 LEU HB3 H 1.60 . 1 176 . 17 LEU CG C 26.8 . 1 177 . 17 LEU HG H 1.64 . 1 178 . 17 LEU HD1 H 0.60 . 2 179 . 17 LEU HD2 H 1.10 . 2 180 . 17 LEU CD1 C 21.8 . 1 181 . 17 LEU CD2 C 23.2 . 1 182 . 17 LEU C C 176.0 . 1 183 . 18 PHE N N 120.3 . 1 184 . 18 PHE H H 8.12 . 1 185 . 18 PHE CA C 60.5 . 1 186 . 18 PHE HA H 2.87 . 1 187 . 18 PHE CB C 39.4 . 1 188 . 18 PHE HB2 H 2.57 . 2 189 . 18 PHE HB3 H 2.85 . 2 190 . 18 PHE HD1 H 6.99 . 1 191 . 18 PHE HD2 H 6.99 . 1 192 . 18 PHE HE1 H 7.31 . 1 193 . 18 PHE HE2 H 7.31 . 1 194 . 18 PHE CD1 C 131.1 . 1 195 . 18 PHE CE1 C 131.6 . 1 196 . 18 PHE C C 177.3 . 1 197 . 19 GLU N N 117.1 . 1 198 . 19 GLU H H 7.90 . 1 199 . 19 GLU CA C 58.5 . 1 200 . 19 GLU HA H 3.50 . 1 201 . 19 GLU CB C 29.1 . 1 202 . 19 GLU HB2 H 1.90 . 1 203 . 19 GLU HB3 H 1.90 . 1 204 . 19 GLU CG C 36.6 . 1 205 . 19 GLU HG2 H 2.48 . 2 206 . 19 GLU HG3 H 2.28 . 2 207 . 19 GLU C C 178.1 . 1 208 . 20 LEU N N 118.7 . 1 209 . 20 LEU H H 7.10 . 1 210 . 20 LEU CA C 57.6 . 1 211 . 20 LEU HA H 4.11 . 1 212 . 20 LEU CB C 42.7 . 1 213 . 20 LEU HB2 H 1.73 . 1 214 . 20 LEU HB3 H 1.61 . 1 215 . 20 LEU CG C 26.3 . 1 216 . 20 LEU HG H 1.65 . 1 217 . 20 LEU HD2 H 0.67 . 2 218 . 20 LEU CD2 C 23.9 . 1 219 . 20 LEU C C 179.1 . 1 220 . 21 VAL N N 119.7 . 1 221 . 21 VAL H H 8.19 . 1 222 . 21 VAL CA C 65.1 . 1 223 . 21 VAL HA H 3.15 . 1 224 . 21 VAL CB C 30.0 . 1 225 . 21 VAL HB H 1.09 . 1 226 . 21 VAL HG1 H -0.25 . 1 227 . 21 VAL HG2 H -0.65 . 1 228 . 21 VAL CG1 C 20.6 . 1 229 . 21 VAL CG2 C 18.8 . 1 230 . 21 VAL C C 177.6 . 1 231 . 22 GLY N N 102.6 . 1 232 . 22 GLY H H 7.39 . 1 233 . 22 GLY CA C 45.5 . 1 234 . 22 GLY HA2 H 3.45 . 2 235 . 22 GLY HA3 H 3.31 . 2 236 . 22 GLY C C 173.8 . 1 237 . 23 ASP N N 120.8 . 1 238 . 23 ASP H H 7.01 . 1 239 . 23 ASP CA C 51.8 . 1 240 . 23 ASP HA H 4.79 . 1 241 . 23 ASP CB C 37.6 . 1 242 . 23 ASP HB2 H 3.15 . 1 243 . 23 ASP HB3 H 2.54 . 1 244 . 23 ASP C C 177.6 . 1 245 . 24 VAL N N 120.3 . 1 246 . 24 VAL H H 7.54 . 1 247 . 24 VAL CA C 63.2 . 1 248 . 24 VAL HA H 2.68 . 1 249 . 24 VAL CB C 30.6 . 1 250 . 24 VAL HB H 1.43 . 1 251 . 24 VAL HG1 H 0.58 . 1 252 . 24 VAL HG2 H 0.57 . 1 253 . 24 VAL CG1 C 19.2 . 1 254 . 24 VAL CG2 C 21.7 . 1 255 . 24 VAL C C 177.3 . 1 256 . 25 ASP N N 117.1 . 1 257 . 25 ASP H H 8.07 . 1 258 . 25 ASP CA C 56.7 . 1 259 . 25 ASP HA H 4.05 . 1 260 . 25 ASP CB C 41.3 . 1 261 . 25 ASP HB2 H 2.49 . 1 262 . 25 ASP HB3 H 2.49 . 1 263 . 25 ASP C C 176.9 . 1 264 . 26 ALA N N 116.5 . 1 265 . 26 ALA H H 7.20 . 1 266 . 26 ALA CA C 52.0 . 1 267 . 26 ALA HA H 4.39 . 1 268 . 26 ALA HB H 1.63 . 1 269 . 26 ALA CB C 19.7 . 1 270 . 26 ALA C C 178.3 . 1 271 . 27 TYR N N 118.1 . 1 272 . 27 TYR H H 7.76 . 1 273 . 27 TYR CA C 59.4 . 1 274 . 27 TYR HA H 3.99 . 1 275 . 27 TYR CB C 34.6 . 1 276 . 27 TYR HB2 H 2.57 . 2 277 . 27 TYR HB3 H 3.28 . 2 278 . 27 TYR HD1 H 6.90 . 1 279 . 27 TYR HD2 H 6.90 . 1 280 . 27 TYR HE1 H 6.82 . 1 281 . 27 TYR HE2 H 6.82 . 1 282 . 27 TYR CD1 C 130.5 . 1 283 . 27 TYR CE1 C 118.2 . 1 284 . 28 PRO CD C 50.3 . 1 285 . 28 PRO CA C 63.7 . 1 286 . 28 PRO HA H 4.55 . 1 287 . 28 PRO CB C 31.9 . 1 288 . 28 PRO HB2 H 2.10 . 2 289 . 28 PRO HB3 H 2.41 . 2 290 . 28 PRO CG C 27.7 . 1 291 . 28 PRO HG2 H 2.09 . 2 292 . 28 PRO HG3 H 2.31 . 2 293 . 28 PRO HD2 H 3.94 . 2 294 . 28 PRO HD3 H 3.90 . 2 295 . 28 PRO C C 177.5 . 1 296 . 29 LYS N N 130.4 . 1 297 . 29 LYS H H 7.93 . 1 298 . 29 LYS CA C 57.7 . 1 299 . 29 LYS HA H 4.15 . 1 300 . 29 LYS CB C 33.9 . 1 301 . 29 LYS HB2 H 1.50 . 2 302 . 29 LYS CG C 27.7 . 1 303 . 29 LYS HG2 H 1.61 . 2 304 . 30 PHE HD1 H 6.78 . 1 305 . 30 PHE HD2 H 6.78 . 1 306 . 30 PHE HE1 H 6.79 . 1 307 . 30 PHE HE2 H 6.79 . 1 308 . 30 PHE CE1 C 132.7 . 1 309 . 31 VAL N N 125.1 . 1 310 . 31 VAL H H 7.69 . 1 311 . 31 VAL CA C 59.6 . 1 312 . 31 VAL HA H 4.21 . 1 313 . 31 VAL CB C 31.1 . 1 314 . 31 VAL HB H 1.64 . 1 315 . 31 VAL HG1 H 0.75 . 2 316 . 31 VAL HG2 H -0.28 . 2 317 . 31 VAL CG1 C 22.2 . 1 318 . 31 VAL CG2 C 20.4 . 1 319 . 32 PRO CD C 50.3 . 1 320 . 32 PRO CA C 65.2 . 1 321 . 32 PRO HA H 4.30 . 1 322 . 32 PRO CB C 30.8 . 1 323 . 32 PRO HB2 H 2.21 . 1 324 . 32 PRO HB3 H 2.21 . 1 325 . 32 PRO CG C 28.8 . 1 326 . 32 PRO HG2 H 1.53 . 1 327 . 32 PRO HG3 H 2.16 . 1 328 . 32 PRO HD2 H 3.58 . 2 329 . 32 PRO HD3 H 3.48 . 2 330 . 32 PRO C C 177.1 . 1 331 . 33 TRP N N 112.8 . 1 332 . 33 TRP H H 8.00 . 1 333 . 33 TRP CA C 57.6 . 1 334 . 33 TRP HA H 4.14 . 1 335 . 33 TRP CB C 31.9 . 1 336 . 33 TRP HB2 H 1.99 . 1 337 . 33 TRP HB3 H 2.21 . 1 338 . 33 TRP CD1 C 127.3 . 1 339 . 33 TRP CE3 C 118.3 . 1 340 . 33 TRP NE1 N 132.5 . 1 341 . 33 TRP HD1 H 7.24 . 1 342 . 33 TRP HE3 H 7.22 . 1 343 . 33 TRP CZ3 C 121.6 . 1 344 . 33 TRP CZ2 C 115.2 . 1 345 . 33 TRP HE1 H 10.62 . 1 346 . 33 TRP HZ3 H 7.01 . 1 347 . 33 TRP CH2 C 124.0 . 1 348 . 33 TRP HZ2 H 7.50 . 1 349 . 33 TRP HH2 H 7.08 . 1 350 . 34 ILE N N 117.6 . 1 351 . 34 ILE H H 7.37 . 1 352 . 34 ILE HA H 4.69 . 1 353 . 34 ILE CB C 38.5 . 1 354 . 34 ILE HB H 1.77 . 1 355 . 34 ILE HG2 H 0.94 . 1 356 . 34 ILE CG2 C 17.8 . 1 357 . 34 ILE CG1 C 27.7 . 1 358 . 34 ILE HG12 H 1.45 . 1 359 . 34 ILE HG13 H 1.45 . 1 360 . 34 ILE HD1 H 0.92 . 1 361 . 34 ILE CD1 C 13.7 . 1 362 . 34 ILE C C 174.6 . 1 363 . 35 THR N N 116.7 . 1 364 . 35 THR H H 8.68 . 1 365 . 35 THR CA C 61.4 . 1 366 . 35 THR HA H 4.34 . 1 367 . 35 THR CB C 68.4 . 1 368 . 35 THR HB H 4.25 . 1 369 . 35 THR HG2 H 0.98 . 1 370 . 35 THR CG2 C 21.5 . 1 371 . 35 THR C C 175.4 . 1 372 . 36 GLY N N 109.0 . 1 373 . 36 GLY H H 7.65 . 1 374 . 36 GLY CA C 45.5 . 1 375 . 36 GLY HA2 H 3.87 . 1 376 . 36 GLY HA3 H 4.21 . 1 377 . 36 GLY C C 170.6 . 1 378 . 37 MET N N 120.8 . 1 379 . 37 MET H H 8.40 . 1 380 . 37 MET CA C 53.9 . 1 381 . 37 MET HA H 5.43 . 1 382 . 37 MET CB C 34.5 . 1 383 . 37 MET HB2 H 1.96 . 2 384 . 37 MET HB3 H 1.78 . 2 385 . 37 MET CG C 31.4 . 1 386 . 37 MET HG2 H 2.18 . 2 387 . 37 MET HG3 H 2.63 . 2 388 . 37 MET C C 173.4 . 1 389 . 38 ARG N N 127.2 . 1 390 . 38 ARG H H 8.80 . 1 391 . 38 ARG CA C 55.1 . 1 392 . 38 ARG HA H 4.98 . 1 393 . 38 ARG CB C 34.7 . 1 394 . 38 ARG HB2 H 1.97 . 1 395 . 38 ARG HB3 H 1.90 . 1 396 . 38 ARG CG C 27.8 . 1 397 . 38 ARG HG2 H 1.77 . 2 398 . 38 ARG CD C 43.1 . 1 399 . 38 ARG C C 174.7 . 1 400 . 39 THR N N 113.8 . 1 401 . 39 THR H H 8.60 . 1 402 . 39 THR CA C 58.7 . 1 403 . 39 THR HA H 5.96 . 1 404 . 39 THR CB C 71.8 . 1 405 . 39 THR HB H 4.18 . 1 406 . 39 THR HG2 H 1.01 . 1 407 . 39 THR CG2 C 21.3 . 1 408 . 39 THR C C 174.8 . 1 409 . 40 TRP N N 121.9 . 1 410 . 40 TRP H H 9.23 . 1 411 . 40 TRP CA C 56.9 . 1 412 . 40 TRP HA H 4.90 . 1 413 . 40 TRP CB C 31.0 . 1 414 . 40 TRP HB2 H 3.52 . 1 415 . 40 TRP HB3 H 3.29 . 1 416 . 40 TRP CD1 C 127.8 . 1 417 . 40 TRP CE3 C 122.7 . 1 418 . 40 TRP NE1 N 128.3 . 1 419 . 40 TRP HD1 H 7.17 . 1 420 . 40 TRP HE3 H 7.07 . 1 421 . 40 TRP CZ3 C 121.3 . 1 422 . 40 TRP CZ2 C 113.9 . 1 423 . 40 TRP HE1 H 9.96 . 1 424 . 40 TRP HZ3 H 6.83 . 1 425 . 40 TRP CH2 C 123.5 . 1 426 . 40 TRP HZ2 H 7.46 . 1 427 . 40 TRP HH2 H 6.93 . 1 428 . 40 TRP C C 172.7 . 1 429 . 41 ASN N N 114.5 . 1 430 . 41 ASN H H 8.99 . 1 431 . 41 ASN CA C 53.1 . 1 432 . 41 ASN HA H 4.41 . 1 433 . 41 ASN CB C 37.3 . 1 434 . 41 ASN HB2 H 2.23 . 1 435 . 41 ASN HB3 H 2.84 . 1 436 . 41 ASN ND2 N 110.6 . 1 437 . 41 ASN HD21 H 6.69 . 2 438 . 41 ASN HD22 H 7.68 . 2 439 . 41 ASN C C 175.5 . 1 440 . 42 GLY N N 105.3 . 1 441 . 42 GLY H H 8.56 . 1 442 . 42 GLY CA C 45.7 . 1 443 . 42 GLY HA2 H 3.52 . 1 444 . 42 GLY HA3 H 4.76 . 1 445 . 42 GLY C C 175.0 . 1 446 . 43 ARG N N 124.5 . 1 447 . 43 ARG H H 9.01 . 1 448 . 43 ARG CA C 54.9 . 1 449 . 43 ARG HA H 4.66 . 1 450 . 43 ARG CB C 33.4 . 1 451 . 43 ARG HB2 H 1.70 . 2 452 . 43 ARG HB3 H 1.79 . 2 453 . 43 ARG CG C 26.3 . 1 454 . 43 ARG HG2 H 1.51 . 1 455 . 43 ARG HG3 H 1.51 . 1 456 . 43 ARG CD C 43.2 . 1 457 . 43 ARG HD2 H 3.14 . 1 458 . 43 ARG HD3 H 3.14 . 1 459 . 43 ARG C C 174.5 . 1 460 . 44 VAL N N 122.9 . 1 461 . 44 VAL H H 8.59 . 1 462 . 44 VAL CA C 61.4 . 1 463 . 44 VAL HA H 4.63 . 1 464 . 44 VAL CB C 34.2 . 1 465 . 44 VAL HB H 1.95 . 1 466 . 44 VAL HG1 H 0.92 . 1 467 . 44 VAL CG1 C 21.0 . 1 468 . 44 VAL C C 174.6 . 1 469 . 45 ASP N N 127.8 . 1 470 . 45 ASP H H 8.94 . 1 471 . 45 ASP CA C 52.8 . 1 472 . 45 ASP HA H 4.85 . 1 473 . 45 ASP CB C 42.1 . 1 474 . 45 ASP HB2 H 2.46 . 1 475 . 45 ASP HB3 H 2.68 . 1 476 . 45 ASP C C 175.9 . 1 477 . 46 GLY N N 115.5 . 1 478 . 46 GLY H H 8.97 . 1 479 . 46 GLY CA C 46.9 . 1 480 . 46 GLY HA2 H 3.60 . 2 481 . 46 GLY HA3 H 3.97 . 2 482 . 46 GLY C C 174.6 . 1 483 . 47 ALA N N 130.4 . 1 484 . 47 ALA H H 9.08 . 1 485 . 47 ALA CA C 52.6 . 1 486 . 47 ALA HA H 4.29 . 1 487 . 47 ALA HB H 1.47 . 1 488 . 47 ALA CB C 19.7 . 1 489 . 47 ALA C C 176.0 . 1 490 . 48 VAL N N 119.2 . 1 491 . 48 VAL H H 7.94 . 1 492 . 48 VAL CA C 61.0 . 1 493 . 48 VAL HA H 5.03 . 1 494 . 48 VAL CB C 32.5 . 1 495 . 48 VAL HB H 2.22 . 1 496 . 48 VAL HG1 H 0.83 . 1 497 . 48 VAL HG2 H 0.96 . 1 498 . 48 VAL CG1 C 21.8 . 1 499 . 48 VAL CG2 C 21.5 . 1 500 . 48 VAL C C 175.2 . 1 501 . 49 SER N N 122.9 . 1 502 . 49 SER H H 9.28 . 1 503 . 49 SER CA C 55.6 . 1 504 . 49 SER HA H 5.45 . 1 505 . 49 SER CB C 65.1 . 1 506 . 49 SER HB2 H 3.97 . 1 507 . 49 SER HB3 H 3.97 . 1 508 . 49 SER C C 174.5 . 1 509 . 50 THR N N 124.0 . 1 510 . 50 THR H H 9.22 . 1 511 . 50 THR CA C 60.0 . 1 512 . 50 THR HA H 5.95 . 1 513 . 50 THR CB C 70.8 . 1 514 . 50 THR HB H 3.87 . 1 515 . 50 THR HG2 H 1.19 . 1 516 . 50 THR CG2 C 21.3 . 1 517 . 50 THR C C 172.7 . 1 518 . 51 VAL N N 124.0 . 1 519 . 51 VAL H H 8.80 . 1 520 . 51 VAL CA C 60.9 . 1 521 . 51 VAL HA H 4.17 . 1 522 . 51 VAL CB C 35.2 . 1 523 . 51 VAL HB H 1.97 . 1 524 . 51 VAL HG1 H 0.92 . 1 525 . 51 VAL HG2 H 0.69 . 1 526 . 51 VAL CG1 C 21.5 . 1 527 . 51 VAL CG2 C 18.7 . 1 528 . 51 VAL C C 170.3 . 1 529 . 52 ASP N N 126.7 . 1 530 . 52 ASP H H 7.82 . 1 531 . 52 ASP CA C 53.0 . 1 532 . 52 ASP HA H 5.09 . 1 533 . 52 ASP CB C 38.6 . 1 534 . 52 ASP HB2 H 0.88 . 2 535 . 52 ASP HB3 H 0.67 . 2 536 . 52 ASP C C 174.0 . 1 537 . 53 ALA N N 123.0 . 1 538 . 53 ALA H H 8.82 . 1 539 . 53 ALA CA C 50.1 . 1 540 . 53 ALA HA H 5.24 . 1 541 . 53 ALA HB H 1.06 . 1 542 . 53 ALA CB C 22.4 . 1 543 . 53 ALA C C 175.6 . 1 544 . 54 GLU N N 124.1 . 1 545 . 54 GLU H H 9.60 . 1 546 . 54 GLU CA C 54.3 . 1 547 . 54 GLU HA H 5.16 . 1 548 . 54 GLU CB C 33.3 . 1 549 . 54 GLU HB2 H 2.28 . 1 550 . 54 GLU HB3 H 2.28 . 1 551 . 54 GLU CG C 38.4 . 1 552 . 54 GLU HG2 H 1.93 . 2 553 . 54 GLU HG3 H 2.06 . 2 554 . 54 GLU C C 174.0 . 1 555 . 55 ALA N N 131.0 . 1 556 . 55 ALA H H 8.86 . 1 557 . 55 ALA CA C 50.2 . 1 558 . 55 ALA HA H 5.11 . 1 559 . 55 ALA HB H 0.96 . 1 560 . 55 ALA CB C 22.5 . 1 561 . 55 ALA C C 174.8 . 1 562 . 56 GLN N N 118.2 . 1 563 . 56 GLN H H 7.97 . 1 564 . 56 GLN CA C 54.6 . 1 565 . 56 GLN HA H 4.70 . 1 566 . 56 GLN CB C 31.5 . 1 567 . 56 GLN HB2 H 1.69 . 2 568 . 56 GLN HB3 H 1.93 . 2 569 . 56 GLN CG C 34.2 . 1 570 . 56 GLN HG2 H 2.23 . 2 571 . 56 GLN HG3 H 2.20 . 2 572 . 56 GLN NE2 N 112.3 . 1 573 . 56 GLN HE21 H 6.85 . 2 574 . 56 GLN HE22 H 7.56 . 2 575 . 57 VAL H H 9.16 . 1 576 . 57 VAL CA C 58.9 . 1 577 . 57 VAL HA H 5.50 . 1 578 . 57 VAL CB C 34.7 . 1 579 . 57 VAL HB H 2.35 . 1 580 . 57 VAL HG1 H 1.17 . 1 581 . 57 VAL HG2 H 1.32 . 1 582 . 57 VAL CG1 C 22.4 . 1 583 . 57 VAL CG2 C 20.7 . 1 584 . 57 VAL C C 176.7 . 1 585 . 58 GLY N N 108.5 . 1 586 . 58 GLY H H 8.49 . 1 587 . 58 GLY CA C 46.0 . 1 588 . 58 GLY HA2 H 3.47 . 1 589 . 58 GLY HA3 H 3.47 . 1 590 . 60 SER CA C 60.8 . 1 591 . 60 SER HA H 4.01 . 1 592 . 60 SER CB C 62.4 . 1 593 . 60 SER HB2 H 3.94 . 1 594 . 60 SER HB3 H 3.94 . 1 595 . 60 SER C C 174.8 . 1 596 . 61 PHE N N 112.7 . 1 597 . 61 PHE H H 6.47 . 1 598 . 61 PHE CA C 55.2 . 1 599 . 61 PHE HA H 4.75 . 1 600 . 61 PHE CB C 41.7 . 1 601 . 61 PHE HB2 H 2.90 . 1 602 . 61 PHE HB3 H 2.90 . 1 603 . 61 PHE HD1 H 7.08 . 1 604 . 61 PHE HD2 H 7.08 . 1 605 . 61 PHE HE1 H 7.08 . 1 606 . 61 PHE HE2 H 7.08 . 1 607 . 61 PHE CD1 C 132.4 . 1 608 . 61 PHE C C 174.3 . 1 609 . 62 LEU N N 124.5 . 1 610 . 62 LEU H H 7.22 . 1 611 . 62 LEU CA C 54.8 . 1 612 . 62 LEU HA H 4.63 . 1 613 . 62 LEU CB C 43.2 . 1 614 . 62 LEU HB2 H 1.78 . 2 615 . 62 LEU HB3 H 1.27 . 2 616 . 62 LEU CG C 27.7 . 1 617 . 62 LEU HG H 1.70 . 1 618 . 62 LEU HD1 H 0.91 . 2 619 . 62 LEU HD2 H 0.94 . 2 620 . 62 LEU CD1 C 25.8 . 1 621 . 62 LEU CD2 C 24.9 . 1 622 . 62 LEU C C 173.4 . 1 623 . 63 ARG N N 122.9 . 1 624 . 63 ARG H H 8.54 . 1 625 . 63 ARG CA C 55.5 . 1 626 . 63 ARG HA H 4.74 . 1 627 . 63 ARG CB C 30.2 . 1 628 . 63 ARG HB2 H 1.94 . 2 629 . 63 ARG HB3 H 1.76 . 2 630 . 63 ARG CG C 26.7 . 1 631 . 63 ARG HG2 H 1.72 . 2 632 . 63 ARG HG3 H 1.65 . 2 633 . 63 ARG CD C 43.2 . 1 634 . 63 ARG HD2 H 3.22 . 2 635 . 63 ARG HD3 H 3.30 . 2 636 . 63 ARG C C 176.7 . 1 637 . 64 GLU N N 119.7 . 1 638 . 64 GLU H H 7.92 . 1 639 . 64 GLU CA C 56.1 . 1 640 . 64 GLU HA H 4.53 . 1 641 . 64 GLU CB C 32.3 . 1 642 . 64 GLU HB2 H 1.90 . 1 643 . 64 GLU HB3 H 2.15 . 1 644 . 64 GLU CG C 36.6 . 1 645 . 64 GLU HG2 H 2.46 . 2 646 . 64 GLU HG3 H 2.34 . 2 647 . 64 GLU C C 175.6 . 1 648 . 65 LYS N N 120.8 . 1 649 . 65 LYS H H 8.56 . 1 650 . 65 LYS CA C 56.3 . 1 651 . 65 LYS HA H 4.92 . 1 652 . 65 LYS CB C 34.3 . 1 653 . 65 LYS HB2 H 1.81 . 2 654 . 65 LYS HB3 H 1.75 . 2 655 . 65 LYS CG C 25.3 . 1 656 . 65 LYS HG2 H 1.54 . 2 657 . 65 LYS HG3 H 1.35 . 2 658 . 65 LYS CD C 29.2 . 1 659 . 65 LYS HD2 H 1.70 . 2 660 . 65 LYS HD3 H 1.65 . 2 661 . 65 LYS HE2 H 3.01 . 2 662 . 65 LYS C C 176.1 . 1 663 . 66 PHE N N 116.0 . 1 664 . 66 PHE H H 8.53 . 1 665 . 66 PHE CA C 55.4 . 1 666 . 66 PHE HA H 5.32 . 1 667 . 66 PHE CB C 42.2 . 1 668 . 66 PHE HB2 H 3.34 . 1 669 . 66 PHE HB3 H 3.47 . 1 670 . 66 PHE HD1 H 7.18 . 1 671 . 66 PHE HD2 H 7.18 . 1 672 . 66 PHE CD1 C 132.2 . 1 673 . 66 PHE C C 171.5 . 1 674 . 67 ALA N N 122.9 . 1 675 . 67 ALA H H 8.98 . 1 676 . 67 ALA CA C 49.8 . 1 677 . 67 ALA HA H 5.93 . 1 678 . 67 ALA HB H 0.81 . 1 679 . 67 ALA CB C 22.7 . 1 680 . 67 ALA C C 176.8 . 1 681 . 68 THR N N 111.7 . 1 682 . 68 THR H H 9.27 . 1 683 . 68 THR CA C 58.7 . 1 684 . 68 THR HA H 5.07 . 1 685 . 68 THR CB C 72.2 . 1 686 . 68 THR HB H 3.99 . 1 687 . 68 THR HG2 H 0.91 . 1 688 . 68 THR CG2 C 21.3 . 1 689 . 68 THR C C 171.5 . 1 690 . 69 ARG N N 122.9 . 1 691 . 69 ARG H H 9.15 . 1 692 . 69 ARG CA C 55.4 . 1 693 . 69 ARG HA H 5.02 . 1 694 . 69 ARG CB C 31.5 . 1 695 . 69 ARG HB2 H 1.53 . 1 696 . 69 ARG HB3 H 1.53 . 1 697 . 69 ARG CG C 29.2 . 1 698 . 69 ARG HG2 H 1.75 . 1 699 . 69 ARG HG3 H 1.75 . 1 700 . 69 ARG CD C 42.2 . 1 701 . 69 ARG HD2 H 2.99 . 1 702 . 69 ARG HD3 H 2.99 . 1 703 . 69 ARG C C 175.5 . 1 704 . 70 VAL N N 129.4 . 1 705 . 70 VAL H H 9.60 . 1 706 . 70 VAL CA C 62.0 . 1 707 . 70 VAL HA H 4.53 . 1 708 . 70 VAL CB C 32.6 . 1 709 . 70 VAL HB H 2.22 . 1 710 . 70 VAL HG1 H 0.70 . 2 711 . 70 VAL HG2 H 0.83 . 2 712 . 70 VAL CG1 C 20.1 . 1 713 . 70 VAL CG2 C 21.7 . 1 714 . 70 VAL C C 173.6 . 1 715 . 71 ARG N N 127.4 . 1 716 . 71 ARG H H 9.33 . 1 717 . 71 ARG CA C 55.1 . 1 718 . 71 ARG HA H 4.96 . 1 719 . 71 ARG CB C 32.6 . 1 720 . 71 ARG HB2 H 1.66 . 1 721 . 71 ARG HB3 H 1.98 . 1 722 . 71 ARG CG C 28.2 . 1 723 . 71 ARG HG2 H 1.38 . 2 724 . 71 ARG HG3 H 1.52 . 2 725 . 71 ARG CD C 43.5 . 1 726 . 71 ARG HD2 H 3.21 . 1 727 . 71 ARG HD3 H 3.21 . 1 728 . 71 ARG C C 176.0 . 1 729 . 72 ARG N N 127.8 . 1 730 . 72 ARG H H 9.14 . 1 731 . 72 ARG CA C 54.8 . 1 732 . 72 ARG HA H 5.23 . 1 733 . 72 ARG CB C 30.0 . 1 734 . 72 ARG HB2 H 1.76 . 2 735 . 72 ARG HB3 H 2.41 . 2 736 . 72 ARG CG C 26.9 . 1 737 . 72 ARG HG2 H 1.73 . 1 738 . 72 ARG HG3 H 1.73 . 1 739 . 72 ARG CD C 43.2 . 1 740 . 72 ARG HD2 H 3.22 . 1 741 . 72 ARG HD3 H 3.22 . 1 742 . 72 ARG C C 174.1 . 1 743 . 73 ASP N N 125.1 . 1 744 . 73 ASP H H 9.22 . 1 745 . 73 ASP CA C 52.7 . 1 746 . 73 ASP HA H 5.27 . 1 747 . 73 ASP CB C 42.3 . 1 748 . 73 ASP HB2 H 2.38 . 2 749 . 73 ASP HB3 H 3.42 . 2 750 . 73 ASP C C 176.3 . 1 751 . 74 LYS N N 124.5 . 1 752 . 74 LYS H H 8.85 . 1 753 . 74 LYS CA C 58.3 . 1 754 . 74 LYS HA H 3.47 . 1 755 . 74 LYS CB C 32.9 . 1 756 . 74 LYS HB2 H 1.96 . 1 757 . 74 LYS HB3 H 1.96 . 1 758 . 74 LYS CG C 24.5 . 1 759 . 74 LYS HG2 H 1.41 . 2 760 . 74 LYS HG3 H 1.61 . 2 761 . 74 LYS CD C 29.6 . 1 762 . 74 LYS HD2 H 1.71 . 2 763 . 74 LYS HD3 H 1.68 . 2 764 . 74 LYS HE2 H 2.98 . 1 765 . 74 LYS HE3 H 2.98 . 1 766 . 74 LYS C C 177.1 . 1 767 . 75 ASP N N 119.8 . 1 768 . 75 ASP H H 8.10 . 1 769 . 75 ASP CA C 56.2 . 1 770 . 75 ASP HA H 4.47 . 1 771 . 75 ASP CB C 40.2 . 1 772 . 75 ASP HB2 H 2.60 . 2 773 . 75 ASP HB3 H 2.73 . 2 774 . 75 ASP C C 177.6 . 1 775 . 76 ALA N N 120.8 . 1 776 . 76 ALA H H 7.45 . 1 777 . 76 ALA CA C 51.6 . 1 778 . 76 ALA HA H 4.16 . 1 779 . 76 ALA HB H 1.29 . 1 780 . 76 ALA CB C 18.8 . 1 781 . 76 ALA C C 177.6 . 1 782 . 77 ARG N N 115.5 . 1 783 . 77 ARG H H 7.77 . 1 784 . 77 ARG CA C 57.2 . 1 785 . 77 ARG HA H 2.96 . 1 786 . 77 ARG CB C 27.7 . 1 787 . 77 ARG HB2 H 1.68 . 2 788 . 77 ARG CG C 24.9 . 1 789 . 77 ARG HG2 H 1.96 . 2 790 . 77 ARG C C 173.5 . 1 791 . 78 SER N N 110.7 . 1 792 . 78 SER H H 8.04 . 1 793 . 78 SER CA C 55.7 . 1 794 . 78 SER HA H 5.70 . 1 795 . 78 SER CB C 67.2 . 1 796 . 78 SER HB2 H 3.66 . 1 797 . 78 SER HB3 H 4.13 . 1 798 . 78 SER C C 173.9 . 1 799 . 79 ILE N N 122.4 . 1 800 . 79 ILE H H 8.94 . 1 801 . 79 ILE CA C 60.6 . 1 802 . 79 ILE HA H 5.27 . 1 803 . 79 ILE CB C 41.3 . 1 804 . 79 ILE HB H 1.78 . 1 805 . 79 ILE HG2 H 0.72 . 1 806 . 79 ILE CG2 C 16.5 . 1 807 . 79 ILE CG1 C 29.1 . 1 808 . 79 ILE HG12 H 1.42 . 2 809 . 79 ILE HG13 H 1.46 . 2 810 . 79 ILE HD1 H 0.69 . 1 811 . 79 ILE CD1 C 14.5 . 1 812 . 79 ILE C C 174.2 . 1 813 . 80 ASP N N 127.2 . 1 814 . 80 ASP H H 9.23 . 1 815 . 80 ASP CA C 54.1 . 1 816 . 80 ASP HA H 5.76 . 1 817 . 80 ASP CB C 45.0 . 1 818 . 80 ASP HB2 H 2.58 . 1 819 . 80 ASP HB3 H 2.78 . 1 820 . 80 ASP C C 174.3 . 1 821 . 81 VAL N N 126.8 . 1 822 . 81 VAL H H 9.58 . 1 823 . 81 VAL CA C 61.2 . 1 824 . 81 VAL HA H 5.23 . 1 825 . 81 VAL CB C 34.2 . 1 826 . 81 VAL HB H 2.36 . 1 827 . 81 VAL HG1 H 0.98 . 1 828 . 81 VAL HG2 H 1.14 . 1 829 . 81 VAL CG1 C 20.7 . 1 830 . 81 VAL CG2 C 20.9 . 1 831 . 81 VAL C C 175.7 . 1 832 . 82 SER N N 121.3 . 1 833 . 82 SER H H 9.05 . 1 834 . 82 SER CA C 56.3 . 1 835 . 82 SER HA H 5.49 . 1 836 . 82 SER CB C 66.1 . 1 837 . 82 SER HB2 H 3.94 . 1 838 . 82 SER HB3 H 3.94 . 1 839 . 82 SER C C 173.9 . 1 840 . 83 LEU N N 123.4 . 1 841 . 83 LEU H H 8.07 . 1 842 . 83 LEU CA C 56.8 . 1 843 . 83 LEU HA H 4.05 . 1 844 . 83 LEU CB C 44.2 . 1 845 . 83 LEU HB2 H 2.04 . 2 846 . 83 LEU HB3 H 1.68 . 2 847 . 83 LEU CG C 25.3 . 1 848 . 83 LEU HG H 1.41 . 1 849 . 83 LEU HD1 H 0.80 . 2 850 . 83 LEU HD2 H 0.92 . 2 851 . 84 LEU H H 8.83 . 1 852 . 84 LEU CA C 56.8 . 1 853 . 84 LEU HA H 4.68 . 1 854 . 84 LEU CB C 43.7 . 1 855 . 84 LEU HB2 H 1.32 . 1 856 . 84 LEU HB3 H 1.32 . 1 857 . 84 LEU CG C 27.8 . 1 858 . 84 LEU HG H 0.97 . 1 859 . 84 LEU HD1 H 0.12 . 2 860 . 84 LEU HD2 H 0.13 . 2 861 . 84 LEU CD1 C 24.2 . 1 862 . 84 LEU CD2 C 23.5 . 1 863 . 84 LEU C C 176.8 . 1 864 . 85 TYR N N 111.7 . 1 865 . 85 TYR H H 7.53 . 1 866 . 85 TYR CA C 56.8 . 1 867 . 85 TYR HA H 5.02 . 1 868 . 85 TYR CB C 39.0 . 1 869 . 85 TYR HB2 H 3.26 . 2 870 . 85 TYR HB3 H 3.51 . 2 871 . 85 TYR HD1 H 7.05 . 1 872 . 85 TYR HD2 H 7.05 . 1 873 . 85 TYR HE1 H 6.77 . 1 874 . 85 TYR HE2 H 6.77 . 1 875 . 85 TYR CD1 C 134.4 . 1 876 . 85 TYR CE1 C 117.7 . 1 877 . 85 TYR C C 173.5 . 1 878 . 86 GLY N N 106.9 . 1 879 . 86 GLY H H 8.92 . 1 880 . 86 GLY CA C 45.1 . 1 881 . 86 GLY HA2 H 5.01 . 1 882 . 86 GLY HA3 H 4.58 . 1 883 . 87 PRO CD C 49.4 . 1 884 . 87 PRO CA C 63.8 . 1 885 . 87 PRO HA H 4.86 . 1 886 . 87 PRO CB C 29.4 . 1 887 . 87 PRO HB2 H 2.14 . 1 888 . 87 PRO HB3 H 2.14 . 1 889 . 87 PRO CG C 26.7 . 1 890 . 87 PRO HG2 H 1.95 . 2 891 . 87 PRO HG3 H 1.24 . 2 892 . 87 PRO HD2 H 3.37 . 2 893 . 87 PRO HD3 H 3.72 . 2 894 . 87 PRO C C 175.7 . 1 895 . 88 PHE N N 118.1 . 1 896 . 88 PHE H H 7.93 . 1 897 . 88 PHE CA C 56.9 . 1 898 . 88 PHE HA H 4.84 . 1 899 . 88 PHE CB C 42.2 . 1 900 . 88 PHE HB2 H 3.09 . 1 901 . 88 PHE HB3 H 3.09 . 1 902 . 88 PHE HD1 H 6.61 . 1 903 . 88 PHE HD2 H 6.61 . 1 904 . 88 PHE HE1 H 6.18 . 1 905 . 88 PHE HE2 H 6.18 . 1 906 . 88 PHE CD1 C 130.6 . 1 907 . 88 PHE CE1 C 130.8 . 1 908 . 88 PHE C C 174.4 . 1 909 . 89 LYS N N 120.2 . 1 910 . 89 LYS H H 8.85 . 1 911 . 89 LYS CA C 57.7 . 1 912 . 89 LYS HA H 4.31 . 1 913 . 89 LYS CB C 33.8 . 1 914 . 89 LYS HB2 H 1.54 . 2 915 . 89 LYS HB3 H 1.85 . 2 916 . 89 LYS CG C 25.6 . 1 917 . 89 LYS HG2 H 1.42 . 2 918 . 89 LYS HG3 H 1.32 . 2 919 . 89 LYS CD C 29.4 . 1 920 . 89 LYS HD2 H 1.70 . 1 921 . 89 LYS HD3 H 1.70 . 1 922 . 89 LYS HE2 H 3.01 . 1 923 . 89 LYS HE3 H 3.01 . 1 924 . 89 LYS C C 176.6 . 1 925 . 90 ARG N N 114.9 . 1 926 . 90 ARG H H 7.67 . 1 927 . 90 ARG CA C 54.9 . 1 928 . 90 ARG HA H 4.43 . 1 929 . 90 ARG CB C 34.2 . 1 930 . 90 ARG HB2 H 1.67 . 1 931 . 90 ARG HB3 H 1.67 . 1 932 . 90 ARG CG C 26.3 . 1 933 . 90 ARG HG2 H 1.60 . 2 934 . 90 ARG HG3 H 1.45 . 2 935 . 90 ARG CD C 42.7 . 1 936 . 90 ARG HD2 H 3.15 . 1 937 . 90 ARG HD3 H 3.15 . 1 938 . 90 ARG C C 174.4 . 1 939 . 91 LEU N N 125.1 . 1 940 . 91 LEU H H 8.85 . 1 941 . 91 LEU CA C 56.5 . 1 942 . 91 LEU HA H 4.67 . 1 943 . 91 LEU CB C 43.7 . 1 944 . 91 LEU HB2 H 1.32 . 2 945 . 91 LEU CG C 27.8 . 1 946 . 91 LEU HG H 0.95 . 1 947 . 91 LEU HD1 H 0.13 . 2 948 . 91 LEU HD2 H 0.14 . 2 949 . 91 LEU CD1 C 23.2 . 1 950 . 91 LEU CD2 C 23.5 . 1 951 . 91 LEU C C 172.4 . 1 952 . 92 ASN N N 122.9 . 1 953 . 92 ASN H H 9.02 . 1 954 . 92 ASN CA C 52.6 . 1 955 . 92 ASN HA H 5.64 . 1 956 . 92 ASN CB C 42.3 . 1 957 . 92 ASN HB2 H 2.52 . 2 958 . 92 ASN HB3 H 2.73 . 2 959 . 92 ASN ND2 N 113.3 . 1 960 . 92 ASN HD21 H 7.06 . 2 961 . 92 ASN HD22 H 7.83 . 2 962 . 92 ASN C C 173.9 . 1 963 . 93 ASN N N 123.5 . 1 964 . 93 ASN H H 9.20 . 1 965 . 93 ASN CA C 50.8 . 1 966 . 93 ASN HA H 5.55 . 1 967 . 93 ASN CB C 43.7 . 1 968 . 93 ASN HB2 H 2.56 . 2 969 . 93 ASN HB3 H 2.53 . 2 970 . 93 ASN C C 171.7 . 1 971 . 94 GLY N N 114.6 . 1 972 . 94 GLY H H 8.80 . 1 973 . 94 GLY CA C 45.0 . 1 974 . 94 GLY HA2 H 5.48 . 2 975 . 94 GLY HA3 H 3.65 . 2 976 . 94 GLY C C 171.3 . 1 977 . 95 TRP N N 120.9 . 1 978 . 95 TRP H H 9.30 . 1 979 . 95 TRP CA C 55.3 . 1 980 . 95 TRP HA H 5.59 . 1 981 . 95 TRP CB C 33.0 . 1 982 . 95 TRP HB2 H 2.90 . 1 983 . 95 TRP HB3 H 2.90 . 1 984 . 95 TRP CD1 C 125.8 . 1 985 . 95 TRP CE3 C 119.8 . 1 986 . 95 TRP NE1 N 130.9 . 1 987 . 95 TRP HD1 H 6.80 . 1 988 . 95 TRP HE3 H 7.23 . 1 989 . 95 TRP CZ3 C 119.3 . 1 990 . 95 TRP CZ2 C 113.9 . 1 991 . 95 TRP HE1 H 10.35 . 1 992 . 95 TRP HZ3 H 6.72 . 1 993 . 95 TRP CH2 C 123.6 . 1 994 . 95 TRP HZ2 H 7.21 . 1 995 . 95 TRP HH2 H 6.68 . 1 996 . 95 TRP C C 177.2 . 1 997 . 96 ARG N N 121.9 . 1 998 . 96 ARG H H 8.70 . 1 999 . 96 ARG CA C 55.3 . 1 1000 . 96 ARG HA H 5.05 . 1 1001 . 96 ARG CB C 33.9 . 1 1002 . 96 ARG HB2 H 1.68 . 2 1003 . 96 ARG HB3 H 1.93 . 2 1004 . 96 ARG CG C 27.8 . 1 1005 . 96 ARG HG2 H 1.76 . 2 1006 . 96 ARG HG3 H 1.65 . 2 1007 . 96 ARG CD C 43.2 . 1 1008 . 96 ARG HD2 H 3.24 . 2 1009 . 96 ARG HD3 H 3.29 . 2 1010 . 96 ARG C C 174.1 . 1 1011 . 97 PHE N N 120.3 . 1 1012 . 97 PHE H H 8.02 . 1 1013 . 97 PHE CA C 56.3 . 1 1014 . 97 PHE HA H 4.99 . 1 1015 . 97 PHE CB C 40.0 . 1 1016 . 97 PHE HB2 H 2.94 . 2 1017 . 97 PHE HB3 H 3.18 . 2 1018 . 97 PHE HD1 H 7.49 . 1 1019 . 97 PHE HD2 H 7.49 . 1 1020 . 97 PHE HE1 H 7.01 . 1 1021 . 97 PHE HE2 H 7.01 . 1 1022 . 97 PHE CD1 C 132.8 . 1 1023 . 97 PHE CE1 C 130.1 . 1 1024 . 97 PHE C C 174.1 . 1 1025 . 98 MET N N 123.0 . 1 1026 . 98 MET H H 8.82 . 1 1027 . 98 MET CA C 52.2 . 1 1028 . 98 MET HA H 5.18 . 1 1029 . 98 MET CB C 33.3 . 1 1030 . 98 MET HB2 H 2.18 . 2 1031 . 98 MET HB3 H 2.15 . 2 1032 . 98 MET CG C 32.0 . 1 1033 . 98 MET HG2 H 2.58 . 1 1034 . 98 MET HG3 H 2.58 . 1 1035 . 99 PRO CD C 51.0 . 1 1036 . 99 PRO CA C 64.3 . 1 1037 . 99 PRO HA H 3.92 . 1 1038 . 99 PRO CB C 31.4 . 1 1039 . 99 PRO HB2 H 0.85 . 1 1040 . 99 PRO HB3 H 1.83 . 1 1041 . 99 PRO CG C 26.1 . 1 1042 . 99 PRO HG2 H 1.42 . 1 1043 . 99 PRO HG3 H 1.42 . 1 1044 . 99 PRO HD2 H 2.72 . 1 1045 . 99 PRO HD3 H 2.72 . 1 1046 . 99 PRO C C 176.6 . 1 1047 . 100 GLU N N 126.2 . 1 1048 . 100 GLU H H 8.11 . 1 1049 . 100 GLU CA C 55.3 . 1 1050 . 100 GLU HA H 4.46 . 1 1051 . 100 GLU CB C 30.3 . 1 1052 . 100 GLU HB2 H 1.82 . 1 1053 . 100 GLU HB3 H 1.82 . 1 1054 . 100 GLU CG C 36.1 . 1 1055 . 100 GLU HG2 H 2.02 . 1 1056 . 100 GLU HG3 H 2.02 . 1 1057 . 100 GLU C C 175.8 . 1 1058 . 101 GLY N N 117.6 . 1 1059 . 101 GLY H H 8.99 . 1 1060 . 101 GLY CA C 46.9 . 1 1061 . 101 GLY HA2 H 3.99 . 1 1062 . 101 GLY HA3 H 3.65 . 1 1063 . 101 GLY C C 175.1 . 1 1064 . 102 ASP N N 128.8 . 1 1065 . 102 ASP H H 8.89 . 1 1066 . 102 ASP CA C 54.3 . 1 1067 . 102 ASP HA H 4.71 . 1 1068 . 102 ASP CB C 40.5 . 1 1069 . 102 ASP HB2 H 2.75 . 1 1070 . 102 ASP HB3 H 2.57 . 1 1071 . 102 ASP C C 174.2 . 1 1072 . 103 ALA N N 124.5 . 1 1073 . 103 ALA H H 7.93 . 1 1074 . 103 ALA CA C 50.6 . 1 1075 . 103 ALA HA H 4.78 . 1 1076 . 103 ALA HB H 1.47 . 1 1077 . 103 ALA CB C 21.1 . 1 1078 . 103 ALA C C 177.1 . 1 1079 . 104 THR N N 116.5 . 1 1080 . 104 THR H H 8.62 . 1 1081 . 104 THR CA C 62.7 . 1 1082 . 104 THR HA H 4.95 . 1 1083 . 104 THR CB C 71.1 . 1 1084 . 104 THR HB H 3.78 . 1 1085 . 104 THR HG2 H 1.26 . 1 1086 . 104 THR CG2 C 23.0 . 1 1087 . 104 THR C C 173.0 . 1 1088 . 105 ARG N N 127.8 . 1 1089 . 105 ARG H H 9.78 . 1 1090 . 105 ARG HA H 4.66 . 1 1091 . 105 ARG CB C 31.1 . 1 1092 . 105 ARG HB2 H 1.74 . 2 1093 . 105 ARG HB3 H 1.89 . 2 1094 . 105 ARG CG C 28.8 . 1 1095 . 105 ARG HG2 H 1.73 . 1 1096 . 105 ARG HG3 H 1.73 . 1 1097 . 105 ARG CD C 42.2 . 1 1098 . 105 ARG HD2 H 3.03 . 1 1099 . 105 ARG HD3 H 3.03 . 1 1100 . 105 ARG C C 173.9 . 1 1101 . 106 VAL N N 129.9 . 1 1102 . 106 VAL H H 9.44 . 1 1103 . 106 VAL CA C 61.4 . 1 1104 . 106 VAL HA H 4.58 . 1 1105 . 106 VAL CB C 33.0 . 1 1106 . 106 VAL HB H 2.33 . 1 1107 . 106 VAL HG1 H 1.12 . 1 1108 . 106 VAL HG2 H 1.28 . 1 1109 . 106 VAL CG1 C 21.2 . 1 1110 . 106 VAL CG2 C 23.2 . 1 1111 . 106 VAL C C 174.7 . 1 1112 . 107 GLU N N 125.6 . 1 1113 . 107 GLU H H 8.62 . 1 1114 . 107 GLU CA C 54.9 . 1 1115 . 107 GLU HA H 4.93 . 1 1116 . 107 GLU CB C 32.5 . 1 1117 . 107 GLU HB2 H 2.01 . 1 1118 . 107 GLU HB3 H 1.74 . 1 1119 . 107 GLU CG C 28.2 . 1 1120 . 107 GLU HG2 H 1.53 . 2 1121 . 107 GLU C C 173.9 . 1 1122 . 108 PHE N N 128.3 . 1 1123 . 108 PHE H H 9.03 . 1 1124 . 108 PHE CA C 55.1 . 1 1125 . 108 PHE HA H 4.81 . 1 1126 . 108 PHE CB C 41.3 . 1 1127 . 108 PHE HB2 H 2.81 . 2 1128 . 108 PHE HB3 H 2.01 . 2 1129 . 108 PHE HD1 H 6.82 . 1 1130 . 108 PHE HD2 H 6.82 . 1 1131 . 108 PHE CD1 C 129.8 . 1 1132 . 108 PHE C C 172.8 . 1 1133 . 109 VAL N N 126.7 . 1 1134 . 109 VAL H H 8.57 . 1 1135 . 109 VAL CA C 60.1 . 1 1136 . 109 VAL HA H 4.71 . 1 1137 . 109 VAL CB C 34.7 . 1 1138 . 109 VAL HB H 1.76 . 1 1139 . 109 VAL HG1 H 0.79 . 2 1140 . 109 VAL CG1 C 20.7 . 1 1141 . 109 VAL C C 174.8 . 1 1142 . 110 ILE N N 125.6 . 1 1143 . 110 ILE H H 8.94 . 1 1144 . 110 ILE CA C 58.9 . 1 1145 . 110 ILE HA H 4.97 . 1 1146 . 110 ILE CB C 41.9 . 1 1147 . 110 ILE HB H 1.44 . 1 1148 . 110 ILE HG2 H 1.04 . 1 1149 . 110 ILE CG2 C 17.3 . 1 1150 . 110 ILE CG1 C 29.2 . 1 1151 . 110 ILE HG12 H 1.02 . 2 1152 . 110 ILE HG13 H 1.42 . 2 1153 . 110 ILE HD1 H 0.69 . 1 1154 . 110 ILE CD1 C 14.5 . 1 1155 . 110 ILE C C 171.7 . 1 1156 . 111 GLU N N 125.7 . 1 1157 . 111 GLU H H 8.72 . 1 1158 . 111 GLU CA C 54.3 . 1 1159 . 111 GLU HA H 5.64 . 1 1160 . 111 GLU CB C 33.5 . 1 1161 . 111 GLU HB2 H 1.90 . 1 1162 . 111 GLU HB3 H 1.90 . 1 1163 . 111 GLU CG C 37.1 . 1 1164 . 111 GLU HG2 H 2.13 . 2 1165 . 111 GLU HG3 H 1.99 . 2 1166 . 111 GLU C C 175.3 . 1 1167 . 112 PHE N N 118.1 . 1 1168 . 112 PHE H H 8.82 . 1 1169 . 112 PHE CA C 55.9 . 1 1170 . 112 PHE HA H 5.17 . 1 1171 . 112 PHE CB C 42.3 . 1 1172 . 112 PHE HB2 H 2.88 . 2 1173 . 112 PHE HB3 H 2.83 . 2 1174 . 112 PHE HD1 H 6.91 . 1 1175 . 112 PHE HD2 H 6.91 . 1 1176 . 112 PHE HE1 H 7.07 . 1 1177 . 112 PHE HE2 H 7.07 . 1 1178 . 112 PHE CD1 C 131.9 . 1 1179 . 112 PHE CE1 C 130.7 . 1 1180 . 112 PHE C C 172.6 . 1 1181 . 113 ALA N N 119.7 . 1 1182 . 113 ALA H H 8.44 . 1 1183 . 113 ALA CA C 52.2 . 1 1184 . 113 ALA HA H 5.04 . 1 1185 . 113 ALA HB H 1.46 . 1 1186 . 113 ALA CB C 22.7 . 1 1187 . 113 ALA C C 178.1 . 1 1188 . 114 PHE N N 126.7 . 1 1189 . 114 PHE H H 10.69 . 1 1190 . 114 PHE CA C 58.9 . 1 1191 . 114 PHE HA H 4.76 . 1 1192 . 114 PHE CB C 40.0 . 1 1193 . 114 PHE HB2 H 3.11 . 2 1194 . 114 PHE HB3 H 3.47 . 2 1195 . 114 PHE HD1 H 7.39 . 1 1196 . 114 PHE HD2 H 7.39 . 1 1197 . 114 PHE HE1 H 6.84 . 1 1198 . 114 PHE HE2 H 6.84 . 1 1199 . 114 PHE CD1 C 131.6 . 1 1200 . 114 PHE CE1 C 130.9 . 1 1201 . 114 PHE C C 175.5 . 1 1202 . 115 LYS N N 118.6 . 1 1203 . 115 LYS H H 7.88 . 1 1204 . 115 LYS CA C 59.7 . 1 1205 . 115 LYS HA H 4.02 . 1 1206 . 115 LYS CB C 32.3 . 1 1207 . 115 LYS HB2 H 1.67 . 1 1208 . 115 LYS HB3 H 1.90 . 1 1209 . 115 LYS CG C 26.7 . 1 1210 . 115 LYS HG2 H 1.16 . 1 1211 . 115 LYS HG3 H 1.32 . 1 1212 . 115 LYS CD C 29.5 . 1 1213 . 115 LYS HD2 H 1.62 . 2 1214 . 115 LYS HD3 H 1.73 . 2 1215 . 115 LYS HE2 H 3.11 . 2 1216 . 115 LYS C C 176.8 . 1 1217 . 116 SER N N 112.2 . 1 1218 . 116 SER H H 8.20 . 1 1219 . 116 SER CA C 56.1 . 1 1220 . 116 SER HA H 4.76 . 1 1221 . 116 SER CB C 63.8 . 1 1222 . 116 SER HB2 H 3.79 . 2 1223 . 116 SER HB3 H 4.03 . 2 1224 . 117 ALA H H 7.87 . 1 1225 . 117 ALA CA C 54.5 . 1 1226 . 117 ALA HA H 4.32 . 1 1227 . 117 ALA HB H 1.51 . 1 1228 . 117 ALA CB C 18.3 . 1 1229 . 117 ALA C C 180.0 . 1 1230 . 118 LEU N N 119.2 . 1 1231 . 118 LEU H H 7.84 . 1 1232 . 118 LEU CA C 57.6 . 1 1233 . 118 LEU HA H 4.07 . 1 1234 . 118 LEU CB C 41.7 . 1 1235 . 118 LEU HB2 H 1.60 . 2 1236 . 118 LEU HB3 H 1.47 . 2 1237 . 118 LEU CG C 26.7 . 1 1238 . 118 LEU HG H 1.58 . 1 1239 . 118 LEU HD1 H 0.85 . 2 1240 . 118 LEU HD2 H 0.82 . 2 1241 . 118 LEU CD1 C 24.2 . 1 1242 . 118 LEU CD2 C 23.6 . 1 1243 . 118 LEU C C 179.2 . 1 1244 . 119 LEU N N 118.7 . 1 1245 . 119 LEU H H 7.38 . 1 1246 . 119 LEU CA C 56.2 . 1 1247 . 119 LEU HA H 3.82 . 1 1248 . 119 LEU CB C 40.8 . 1 1249 . 119 LEU HB2 H 1.24 . 1 1250 . 119 LEU HB3 H 0.45 . 1 1251 . 119 LEU CG C 26.8 . 1 1252 . 119 LEU HG H 1.33 . 1 1253 . 119 LEU HD1 H 0.54 . 1 1254 . 119 LEU HD2 H 0.71 . 1 1255 . 119 LEU CD1 C 24.0 . 1 1256 . 119 LEU CD2 C 25.0 . 1 1257 . 119 LEU C C 178.1 . 1 1258 . 120 ASP N N 118.6 . 1 1259 . 120 ASP H H 7.82 . 1 1260 . 120 ASP CA C 58.6 . 1 1261 . 120 ASP HA H 4.47 . 1 1262 . 120 ASP CB C 42.3 . 1 1263 . 120 ASP HB2 H 2.97 . 1 1264 . 120 ASP HB3 H 2.83 . 1 1265 . 120 ASP C C 177.7 . 1 1266 . 121 ALA N N 118.7 . 1 1267 . 121 ALA H H 7.76 . 1 1268 . 121 ALA CA C 54.5 . 1 1269 . 121 ALA HA H 4.11 . 1 1270 . 121 ALA HB H 1.47 . 1 1271 . 121 ALA CB C 17.8 . 1 1272 . 121 ALA C C 180.3 . 1 1273 . 122 MET N N 117.6 . 1 1274 . 122 MET H H 7.64 . 1 1275 . 122 MET CA C 58.1 . 1 1276 . 122 MET HA H 4.01 . 1 1277 . 122 MET CB C 32.5 . 1 1278 . 122 MET HB2 H 1.81 . 2 1279 . 122 MET HB3 H 1.97 . 2 1280 . 122 MET CG C 30.9 . 1 1281 . 122 MET HG2 H 2.41 . 2 1282 . 122 MET HG3 H 2.11 . 2 1283 . 122 MET C C 178.4 . 1 1284 . 123 LEU N N 118.1 . 1 1285 . 123 LEU H H 8.19 . 1 1286 . 123 LEU CA C 56.6 . 1 1287 . 123 LEU HA H 4.05 . 1 1288 . 123 LEU CB C 40.8 . 1 1289 . 123 LEU HB2 H 1.31 . 2 1290 . 123 LEU HB3 H 1.41 . 2 1291 . 123 LEU CG C 26.8 . 1 1292 . 123 LEU HG H 1.31 . 1 1293 . 123 LEU HD1 H 0.25 . 1 1294 . 123 LEU HD2 H 0.54 . 1 1295 . 123 LEU CD1 C 23.3 . 1 1296 . 123 LEU CD2 C 23.9 . 1 1297 . 123 LEU C C 178.4 . 1 1298 . 124 ALA N N 120.8 . 1 1299 . 124 ALA H H 8.42 . 1 1300 . 124 ALA CA C 55.8 . 1 1301 . 124 ALA HA H 3.99 . 1 1302 . 124 ALA HB H 1.27 . 1 1303 . 124 ALA CB C 17.4 . 1 1304 . 124 ALA C C 179.4 . 1 1305 . 125 ALA N N 116.6 . 1 1306 . 125 ALA H H 7.66 . 1 1307 . 125 ALA CA C 53.6 . 1 1308 . 125 ALA HA H 4.28 . 1 1309 . 125 ALA HB H 1.43 . 1 1310 . 125 ALA CB C 18.8 . 1 1311 . 125 ALA C C 178.2 . 1 1312 . 126 ASN N N 113.8 . 1 1313 . 126 ASN H H 7.59 . 1 1314 . 126 ASN CA C 53.5 . 1 1315 . 126 ASN HA H 5.06 . 1 1316 . 126 ASN CB C 41.3 . 1 1317 . 126 ASN HB2 H 2.45 . 1 1318 . 126 ASN HB3 H 2.84 . 1 1319 . 126 ASN ND2 N 114.4 . 1 1320 . 126 ASN HD21 H 7.15 . 2 1321 . 126 ASN HD22 H 7.60 . 2 1322 . 126 ASN C C 175.9 . 1 1323 . 127 VAL N N 121.4 . 1 1324 . 127 VAL H H 7.73 . 1 1325 . 127 VAL CA C 66.5 . 1 1326 . 127 VAL HA H 3.54 . 1 1327 . 127 VAL CB C 30.5 . 1 1328 . 127 VAL HB H 2.11 . 1 1329 . 127 VAL HG1 H 0.86 . 1 1330 . 127 VAL HG2 H 0.71 . 1 1331 . 127 VAL CG1 C 22.0 . 1 1332 . 127 VAL CG2 C 19.2 . 1 1333 . 127 VAL C C 174.8 . 1 1334 . 128 ASP N N 120.8 . 1 1335 . 128 ASP H H 8.25 . 1 1336 . 128 ASP CA C 57.6 . 1 1337 . 128 ASP HA H 4.00 . 1 1338 . 128 ASP CB C 40.3 . 1 1339 . 128 ASP HB2 H 2.59 . 1 1340 . 128 ASP HB3 H 2.59 . 1 1341 . 128 ASP C C 179.0 . 1 1342 . 129 ARG N N 120.8 . 1 1343 . 129 ARG H H 8.04 . 1 1344 . 129 ARG CA C 58.3 . 1 1345 . 129 ARG HA H 4.07 . 1 1346 . 129 ARG CB C 30.0 . 1 1347 . 129 ARG HB2 H 1.89 . 1 1348 . 129 ARG HB3 H 1.82 . 1 1349 . 129 ARG CG C 27.2 . 1 1350 . 129 ARG HG2 H 1.72 . 2 1351 . 129 ARG HG3 H 1.60 . 2 1352 . 129 ARG CD C 43.1 . 1 1353 . 129 ARG HD2 H 3.25 . 1 1354 . 129 ARG HD3 H 3.25 . 1 1355 . 129 ARG C C 179.1 . 1 1356 . 130 ALA N N 121.9 . 1 1357 . 130 ALA H H 8.42 . 1 1358 . 130 ALA CA C 54.8 . 1 1359 . 130 ALA HA H 3.87 . 1 1360 . 130 ALA HB H 1.18 . 1 1361 . 130 ALA CB C 18.1 . 1 1362 . 130 ALA C C 178.6 . 1 1363 . 131 ALA N N 119.2 . 1 1364 . 131 ALA H H 8.68 . 1 1365 . 131 ALA CA C 54.9 . 1 1366 . 131 ALA HA H 3.70 . 1 1367 . 131 ALA HB H 1.18 . 1 1368 . 131 ALA CB C 18.0 . 1 1369 . 131 ALA C C 179.4 . 1 1370 . 132 GLY N N 103.2 . 1 1371 . 132 GLY H H 7.94 . 1 1372 . 132 GLY CA C 46.9 . 1 1373 . 132 GLY HA2 H 3.70 . 1 1374 . 132 GLY HA3 H 4.01 . 1 1375 . 132 GLY C C 177.2 . 1 1376 . 133 LYS N N 122.4 . 1 1377 . 133 LYS H H 8.02 . 1 1378 . 133 LYS CA C 58.6 . 1 1379 . 133 LYS HA H 4.23 . 1 1380 . 133 LYS CB C 31.9 . 1 1381 . 133 LYS HB2 H 1.96 . 1 1382 . 133 LYS HB3 H 1.92 . 1 1383 . 133 LYS CG C 25.3 . 1 1384 . 133 LYS HG2 H 1.61 . 1 1385 . 133 LYS HG3 H 1.50 . 1 1386 . 133 LYS CD C 28.9 . 1 1387 . 133 LYS HD2 H 1.74 . 2 1388 . 133 LYS HD3 H 1.70 . 2 1389 . 133 LYS HE2 H 3.02 . 2 1390 . 133 LYS C C 179.4 . 1 1391 . 134 LEU N N 121.7 . 1 1392 . 134 LEU H H 8.17 . 1 1393 . 134 LEU CA C 58.5 . 1 1394 . 134 LEU HA H 4.32 . 1 1395 . 134 LEU CB C 41.7 . 1 1396 . 134 LEU HB2 H 2.14 . 1 1397 . 134 LEU HB3 H 1.50 . 1 1398 . 134 LEU CG C 28.9 . 1 1399 . 134 LEU HG H 1.75 . 1 1400 . 134 LEU HD1 H 1.42 . 2 1401 . 134 LEU HD2 H 1.20 . 2 1402 . 134 LEU CD1 C 24.2 . 1 1403 . 134 LEU CD2 C 26.2 . 1 1404 . 134 LEU C C 178.6 . 1 1405 . 135 ILE N N 118.7 . 1 1406 . 135 ILE H H 8.59 . 1 1407 . 135 ILE CA C 66.1 . 1 1408 . 135 ILE HA H 3.93 . 1 1409 . 135 ILE CB C 37.4 . 1 1410 . 135 ILE HB H 1.97 . 1 1411 . 135 ILE HG2 H 1.07 . 1 1412 . 135 ILE CG2 C 17.5 . 1 1413 . 135 ILE CG1 C 30.4 . 1 1414 . 135 ILE HG12 H 1.76 . 2 1415 . 135 ILE HG13 H 1.05 . 2 1416 . 135 ILE HD1 H 0.47 . 1 1417 . 135 ILE CD1 C 12.2 . 1 1418 . 135 ILE C C 177.9 . 1 1419 . 136 ALA N N 121.3 . 1 1420 . 136 ALA H H 8.24 . 1 1421 . 136 ALA CA C 54.9 . 1 1422 . 136 ALA HA H 4.50 . 1 1423 . 136 ALA HB H 1.68 . 1 1424 . 136 ALA CB C 17.9 . 1 1425 . 136 ALA C C 180.7 . 1 1426 . 137 CYS N N 119.9 . 1 1427 . 137 CYS H H 8.03 . 1 1428 . 137 CYS CA C 62.8 . 1 1429 . 137 CYS HA H 4.41 . 1 1430 . 137 CYS CB C 26.2 . 1 1431 . 137 CYS HB2 H 3.15 . 1 1432 . 137 CYS HB3 H 3.38 . 1 1433 . 137 CYS C C 177.7 . 1 1434 . 138 PHE N N 119.2 . 1 1435 . 138 PHE H H 7.86 . 1 1436 . 138 PHE CA C 61.5 . 1 1437 . 138 PHE HA H 4.24 . 1 1438 . 138 PHE CB C 37.5 . 1 1439 . 138 PHE HB2 H 2.81 . 1 1440 . 138 PHE HB3 H 3.28 . 1 1441 . 138 PHE HD1 H 7.18 . 1 1442 . 138 PHE HD2 H 7.18 . 1 1443 . 138 PHE HE1 H 6.85 . 1 1444 . 138 PHE HE2 H 6.85 . 1 1445 . 138 PHE CD1 C 130.6 . 1 1446 . 138 PHE C C 177.6 . 1 1447 . 139 GLU N N 120.3 . 1 1448 . 139 GLU H H 8.82 . 1 1449 . 139 GLU CA C 60.5 . 1 1450 . 139 GLU HA H 3.68 . 1 1451 . 139 GLU CB C 29.6 . 1 1452 . 139 GLU HB2 H 2.20 . 1 1453 . 139 GLU HB3 H 2.36 . 1 1454 . 139 GLU CG C 37.3 . 1 1455 . 139 GLU HG2 H 2.47 . 2 1456 . 139 GLU HG3 H 2.39 . 2 1457 . 139 GLU C C 177.8 . 1 1458 . 140 ALA N N 120.8 . 1 1459 . 140 ALA H H 8.08 . 1 1460 . 140 ALA CA C 54.7 . 1 1461 . 140 ALA HA H 4.16 . 1 1462 . 140 ALA HB H 1.55 . 1 1463 . 140 ALA CB C 17.5 . 1 1464 . 140 ALA C C 180.5 . 1 1465 . 141 ARG N N 120.2 . 1 1466 . 141 ARG H H 7.72 . 1 1467 . 141 ARG CA C 56.7 . 1 1468 . 141 ARG HA H 3.81 . 1 1469 . 141 ARG CB C 30.1 . 1 1470 . 141 ARG HB2 H 1.66 . 1 1471 . 141 ARG HB3 H 1.17 . 1 1472 . 141 ARG CG C 27.1 . 1 1473 . 141 ARG HG2 H 1.59 . 2 1474 . 141 ARG C C 177.1 . 1 1475 . 142 ALA N N 122.4 . 1 1476 . 142 ALA H H 8.33 . 1 1477 . 142 ALA CA C 55.3 . 1 1478 . 142 ALA HA H 3.44 . 1 1479 . 142 ALA HB H 0.47 . 1 1480 . 142 ALA CB C 15.0 . 1 1481 . 142 ALA C C 178.6 . 1 1482 . 143 GLN N N 118.1 . 1 1483 . 143 GLN H H 7.95 . 1 1484 . 143 GLN CA C 58.6 . 1 1485 . 143 GLN HA H 4.02 . 1 1486 . 143 GLN CB C 27.9 . 1 1487 . 143 GLN HB2 H 2.17 . 1 1488 . 143 GLN HB3 H 2.36 . 1 1489 . 143 GLN CG C 33.9 . 1 1490 . 143 GLN HG2 H 2.51 . 2 1491 . 143 GLN HG3 H 2.44 . 2 1492 . 143 GLN NE2 N 111.2 . 1 1493 . 143 GLN HE21 H 6.87 . 2 1494 . 143 GLN HE22 H 7.59 . 2 1495 . 143 GLN C C 178.8 . 1 1496 . 144 GLN N N 118.7 . 1 1497 . 144 GLN H H 7.63 . 1 1498 . 144 GLN CA C 58.1 . 1 1499 . 144 GLN HA H 3.93 . 1 1500 . 144 GLN CB C 28.2 . 1 1501 . 144 GLN HB2 H 2.10 . 1 1502 . 144 GLN HB3 H 2.10 . 1 1503 . 144 GLN CG C 33.3 . 1 1504 . 144 GLN HG2 H 2.45 . 2 1505 . 144 GLN HG3 H 2.22 . 2 1506 . 144 GLN NE2 N 111.2 . 1 1507 . 144 GLN HE21 H 6.78 . 2 1508 . 144 GLN HE22 H 7.45 . 2 1509 . 144 GLN C C 178.0 . 1 1510 . 145 LEU N N 116.5 . 1 1511 . 145 LEU H H 7.88 . 1 1512 . 145 LEU CA C 56.7 . 1 1513 . 145 LEU HA H 3.90 . 1 1514 . 145 LEU CB C 41.7 . 1 1515 . 145 LEU HB2 H 0.50 . 1 1516 . 145 LEU HB3 H 1.01 . 1 1517 . 145 LEU HG H 1.34 . 1 1518 . 145 LEU C C 178.8 . 1 1519 . 146 HIS N N 114.4 . 1 1520 . 146 HIS H H 8.37 . 1 1521 . 146 HIS CA C 55.9 . 1 1522 . 146 HIS HA H 5.01 . 1 1523 . 146 HIS CB C 31.4 . 1 1524 . 146 HIS HB2 H 3.33 . 2 1525 . 146 HIS HB3 H 3.01 . 2 1526 . 146 HIS CD2 C 120.3 . 1 1527 . 146 HIS HD2 H 6.32 . 1 1528 . 146 HIS C C 176.6 . 1 1529 . 147 GLY N N 109.5 . 1 1530 . 147 GLY H H 8.01 . 1 1531 . 147 GLY CA C 45.5 . 1 1532 . 147 GLY HA2 H 4.16 . 1 1533 . 147 GLY HA3 H 4.16 . 1 1534 . 147 GLY C C 173.4 . 1 1535 . 148 ALA N N 123.4 . 1 1536 . 148 ALA H H 8.32 . 1 1537 . 148 ALA CA C 52.0 . 1 1538 . 148 ALA HA H 4.38 . 1 1539 . 148 ALA HB H 1.38 . 1 1540 . 148 ALA CB C 19.2 . 1 1541 . 148 ALA C C 177.9 . 1 stop_ save_