data_6104 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Unexpected structure of the Ca2+-regulatory region from soybean calcium-dependent protein kinase-alpha ; _BMRB_accession_number 6104 _BMRB_flat_file_name bmr6104.str _Entry_type original _Submission_date 2004-02-19 _Accession_date 2004-02-19 _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 Weljie A. M. . 2 Vogel H. J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 741 "13C chemical shifts" 531 "15N chemical shifts" 157 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-03-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6103 'N-TERMINAL REGION' stop_ _Original_release_date 2005-03-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Unexpected structure of the Ca2+-regulatory region from soybean calcium-dependent protein kinase-alpha' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15155727 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Weljie A. M. . 2 Vogel H. J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 279 _Journal_issue 34 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 35494 _Page_last 35502 _Year 2004 _Details . loop_ _Keyword EF-hand helix-loop-helix calcium-binding 'calmodulin superfamily' stop_ save_ ################################## # Molecular system description # ################################## save_system_SK5 _Saveframe_category molecular_system _Mol_system_name 'Calcium-dependent protein kinase SK5 (E.C.2.7.1.-)' _Abbreviation_common 'Calcium-dependent protein kinase SK5 (E.C.2.7.1.-)' _Enzyme_commission_number E.C.2.7.1.- loop_ _Mol_system_component_name _Mol_label 'Calcium-dependent protein kinase SK5' $SK5 'CALCIUM (II) ION 1' $CA 'CALCIUM (II) ION 2' $CA 'CALCIUM (II) ION 3' $CA 'CALCIUM (II) ION 4' $CA stop_ _System_molecular_weight . _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SK5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Calcium-dependent protein kinase SK5' _Abbreviation_common 'Calcium-dependent protein kinase SK5' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; AERLSEEEIGGLKELFKMID TDNSGTITFDELKDGLKRVG SELMESEIKDLMDAADIDKS GTIDYGEFIAATVHLNKLER EENLVSAFSYFDKDGSGYIT LDEIQQACKDFGLDDIHIDD MIKEIDQDNDGQIDYGEFAA MMRKRKGNGGIGRRTMRKTL NLRDALGLVDNGSNQVIEGY FKHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 ALA 2 -5 GLU 3 -4 ARG 4 -3 LEU 5 -2 SER 6 -1 GLU 7 0 GLU 8 1 GLU 9 2 ILE 10 3 GLY 11 4 GLY 12 5 LEU 13 6 LYS 14 7 GLU 15 8 LEU 16 9 PHE 17 10 LYS 18 11 MET 19 12 ILE 20 13 ASP 21 14 THR 22 15 ASP 23 16 ASN 24 17 SER 25 18 GLY 26 19 THR 27 20 ILE 28 21 THR 29 22 PHE 30 23 ASP 31 24 GLU 32 25 LEU 33 26 LYS 34 27 ASP 35 28 GLY 36 29 LEU 37 30 LYS 38 31 ARG 39 32 VAL 40 33 GLY 41 34 SER 42 35 GLU 43 36 LEU 44 37 MET 45 38 GLU 46 39 SER 47 40 GLU 48 41 ILE 49 42 LYS 50 43 ASP 51 44 LEU 52 45 MET 53 46 ASP 54 47 ALA 55 48 ALA 56 49 ASP 57 50 ILE 58 51 ASP 59 52 LYS 60 53 SER 61 54 GLY 62 55 THR 63 56 ILE 64 57 ASP 65 58 TYR 66 59 GLY 67 60 GLU 68 61 PHE 69 62 ILE 70 63 ALA 71 64 ALA 72 65 THR 73 66 VAL 74 67 HIS 75 68 LEU 76 69 ASN 77 70 LYS 78 71 LEU 79 72 GLU 80 73 ARG 81 74 GLU 82 75 GLU 83 76 ASN 84 77 LEU 85 78 VAL 86 79 SER 87 80 ALA 88 81 PHE 89 82 SER 90 83 TYR 91 84 PHE 92 85 ASP 93 86 LYS 94 87 ASP 95 88 GLY 96 89 SER 97 90 GLY 98 91 TYR 99 92 ILE 100 93 THR 101 94 LEU 102 95 ASP 103 96 GLU 104 97 ILE 105 98 GLN 106 99 GLN 107 100 ALA 108 101 CYS 109 102 LYS 110 103 ASP 111 104 PHE 112 105 GLY 113 106 LEU 114 107 ASP 115 108 ASP 116 109 ILE 117 110 HIS 118 111 ILE 119 112 ASP 120 113 ASP 121 114 MET 122 115 ILE 123 116 LYS 124 117 GLU 125 118 ILE 126 119 ASP 127 120 GLN 128 121 ASP 129 122 ASN 130 123 ASP 131 124 GLY 132 125 GLN 133 126 ILE 134 127 ASP 135 128 TYR 136 129 GLY 137 130 GLU 138 131 PHE 139 132 ALA 140 133 ALA 141 134 MET 142 135 MET 143 136 ARG 144 137 LYS 145 138 ARG 146 139 LYS 147 140 GLY 148 141 ASN 149 142 GLY 150 143 GLY 151 144 ILE 152 145 GLY 153 146 ARG 154 147 ARG 155 148 THR 156 149 MET 157 150 ARG 158 151 LYS 159 152 THR 160 153 LEU 161 154 ASN 162 155 LEU 163 156 ARG 164 157 ASP 165 158 ALA 166 159 LEU 167 160 GLY 168 161 LEU 169 162 VAL 170 163 ASP 171 164 ASN 172 165 GLY 173 166 SER 174 167 ASN 175 168 GLN 176 169 VAL 177 170 ILE 178 171 GLU 179 172 GLY 180 173 TYR 181 174 PHE 182 175 LYS 183 176 HIS 184 177 HIS 185 178 HIS 186 179 HIS 187 180 HIS 188 181 HIS 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 1S6I "Ca2+-Regulatory Region (Cld) From Soybean Calcium-Dependent Protein Kinase-Alpha (Cdpk) In The Presence Of Ca2+ And The Junctio" 100.00 188 100.00 100.00 1.21e-130 GB AAB00806 "calmcium/calmodulin-dependent protein kinase [Glycine max]" 96.81 508 98.90 98.90 4.02e-119 GB AAP03012 "seed calcium dependent protein kinase a [Glycine max]" 96.81 507 98.35 98.90 6.71e-119 GB KHN16906 "Calcium-dependent protein kinase SK5 [Glycine soja]" 96.81 508 98.90 98.90 3.49e-119 GB KHN17436 "Calcium-dependent protein kinase SK5 [Glycine soja]" 96.81 507 98.35 98.90 4.26e-119 REF NP_001238517 "calcium-dependent protein kinase SK5 [Glycine max]" 96.81 508 98.90 98.90 4.02e-119 REF NP_001241962 "calcium-dependent protein kinase SK5-like [Glycine max]" 96.81 507 98.35 98.90 6.71e-119 REF XP_006584637 "PREDICTED: calcium-dependent protein kinase SK5 isoform X1 [Glycine max]" 96.81 537 98.90 98.90 6.54e-119 SP P28583 "RecName: Full=Calcium-dependent protein kinase SK5; Short=CDPK [Glycine max]" 96.81 508 98.90 98.90 4.02e-119 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SK5 soybean 3847 Eukaryota Viridiplantae Glycine max 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 $SK5 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) PT7-7 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 $SK5 0.8 mM '[U-15N; U-13C]' 'unlabelled JD peptide' 0.9 mM 'natural abundance' H2-Imidazole 50 mM 'natural abundance' NaCl 150 mM 'natural abundance' CaCl2 10 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SK5 0.5 mM '[U-15N; U-13C]' 'unlabelled JD peptide' 0.6 mM 'natural abundance' H2-Imidazole 50 mM 'natural abundance' NaCl 200 mM 'natural abundance' CaCl2 10 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SK5 0.4 mM '[U-15N; U-13C]' 'unlabelled JD peptide' 0.5 mM 'natural abundance' H2-Imidazole 50 mM 'natural abundance' NaCl 200 mM 'natural abundance' CaCl2 10 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Task collection stop_ _Details Bruker save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details 'Delaglio and Bax' save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.04 loop_ _Task 'data analysis' stop_ _Details Johnson save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task 'structure solution, refinement' stop_ _Details Brunger save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Task 'iterative matrix relaxation' stop_ _Details Nilges save_ save_VNMR _Saveframe_category software _Name VNMR _Version unknown loop_ _Task collection stop_ _Details Varian save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.3 . pH temperature 313 . K 'ionic strength' 260 . mM pressure 1 . atm stop_ save_ save_sample_cond_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.3 . pH temperature 313 . K 'ionic strength' 210 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 . . . . . 1.0 $entry_citation $entry_citation DSS N 15 . ppm . . . . . . . $entry_citation $entry_citation DSS C 13 . ppm . . . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Calcium-dependent protein kinase SK5' _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 8 GLU N N 120.669 . 1 2 1 8 GLU H H 8.035 . 1 3 1 8 GLU CA C 57.450 . 1 4 1 8 GLU HA H 4.202 . 1 5 1 8 GLU CB C 30.173 . 1 6 1 8 GLU HB3 H 2.216 . 2 7 1 8 GLU HB2 H 2.052 . 2 8 1 8 GLU CG C 36.346 . 1 9 1 8 GLU HG3 H 2.302 . 2 10 1 8 GLU C C 178.485 . 1 11 2 9 ILE N N 120.124 . 1 12 2 9 ILE H H 8.165 . 1 13 2 9 ILE CA C 63.453 . 1 14 2 9 ILE HA H 3.984 . 1 15 2 9 ILE CB C 38.290 . 1 16 2 9 ILE HB H 1.967 . 1 17 2 9 ILE CG1 C 28.500 . 1 18 2 9 ILE HG13 H 1.606 . 1 19 2 9 ILE HG12 H 1.186 . 1 20 2 9 ILE CD1 C 13.586 . 1 21 2 9 ILE HD1 H 0.852 . 1 22 2 9 ILE CG2 C 17.778 . 1 23 2 9 ILE HG2 H 0.981 . 1 24 3 10 GLY N N 109.097 . 1 25 3 10 GLY H H 8.299 . 1 26 3 10 GLY CA C 47.078 . 1 27 3 10 GLY HA3 H 4.032 . 2 28 3 10 GLY HA2 H 3.947 . 2 29 4 11 GLY N N 109.115 . 1 30 4 11 GLY H H 8.191 . 1 31 4 11 GLY CA C 45.444 . 1 32 4 11 GLY HA3 H 4.084 . 1 33 4 11 GLY HA2 H 4.084 . 1 34 5 12 LEU N N 122.287 . 1 35 5 12 LEU H H 8.172 . 1 36 5 12 LEU CA C 57.882 . 1 37 5 12 LEU HA H 4.367 . 1 38 5 12 LEU CB C 42.300 . 1 39 5 12 LEU HB3 H 1.660 . 2 40 5 12 LEU HB2 H 2.107 . 2 41 5 12 LEU CG C 25.700 . 1 42 5 12 LEU HG H 1.657 . 1 43 5 12 LEU CD1 C 26.170 . 1 44 5 12 LEU HD1 H 0.934 . 2 45 5 12 LEU HD2 H 1.030 . 2 46 5 12 LEU C C 176.835 . 1 47 6 13 LYS N N 120.237 . 1 48 6 13 LYS H H 8.375 . 1 49 6 13 LYS CA C 59.712 . 1 50 6 13 LYS HA H 4.128 . 1 51 6 13 LYS CB C 32.000 . 1 52 6 13 LYS HB3 H 1.932 . 2 53 6 13 LYS CG C 25.498 . 1 54 6 13 LYS HG3 H 1.384 . 2 55 6 13 LYS HD2 H 1.565 . 2 56 6 13 LYS C C 178.422 . 1 57 7 14 GLU N N 118.079 . 1 58 7 14 GLU H H 7.889 . 1 59 7 14 GLU CA C 59.032 . 1 60 7 14 GLU HA H 4.080 . 1 61 7 14 GLU CB C 29.216 . 1 62 7 14 GLU HB3 H 2.136 . 2 63 7 14 GLU CG C 36.660 . 1 64 7 14 GLU HG3 H 2.387 . 2 65 7 14 GLU C C 179.179 . 1 66 8 15 LEU N N 121.532 . 1 67 8 15 LEU H H 7.939 . 1 68 8 15 LEU CA C 57.870 . 1 69 8 15 LEU HA H 4.220 . 1 70 8 15 LEU CB C 42.030 . 1 71 8 15 LEU HB3 H 2.114 . 2 72 8 15 LEU HB2 H 1.861 . 2 73 8 15 LEU CG C 27.568 . 1 74 8 15 LEU HG H 1.777 . 1 75 8 15 LEU CD1 C 23.838 . 1 76 8 15 LEU HD1 H 1.024 . 2 77 8 15 LEU CD2 C 25.706 . 1 78 8 15 LEU HD2 H 1.040 . 2 79 8 15 LEU C C 177.815 . 1 80 9 16 PHE N N 118.942 . 1 81 9 16 PHE H H 8.421 . 1 82 9 16 PHE CA C 62.056 . 1 83 9 16 PHE HA H 3.110 . 1 84 9 16 PHE CB C 39.220 . 1 85 9 16 PHE HB3 H 2.769 . 2 86 9 16 PHE HB2 H 3.220 . 2 87 9 16 PHE HD1 H 6.520 . 3 88 9 16 PHE HE1 H 7.000 . 3 89 9 16 PHE HZ H 6.785 . 1 90 9 16 PHE HE2 H 7.097 . 3 91 9 16 PHE C C 176.961 . 1 92 10 17 LYS N N 115.705 . 1 93 10 17 LYS H H 7.856 . 1 94 10 17 LYS CA C 58.830 . 1 95 10 17 LYS HA H 3.963 . 1 96 10 17 LYS CB C 32.481 . 1 97 10 17 LYS HB3 H 1.915 . 2 98 10 17 LYS CG C 25.468 . 1 99 10 17 LYS HG3 H 1.575 . 2 100 10 17 LYS HG2 H 1.747 . 2 101 10 17 LYS CD C 29.203 . 1 102 10 17 LYS HD2 H 1.750 . 2 103 10 17 LYS CE C 42.097 . 1 104 10 17 LYS HE2 H 2.973 . 2 105 10 17 LYS C C 178.268 . 1 106 11 18 MET N N 116.568 . 1 107 11 18 MET H H 7.727 . 1 108 11 18 MET CA C 57.919 . 1 109 11 18 MET HA H 3.966 . 1 110 11 18 MET CB C 33.024 . 1 111 11 18 MET HB3 H 2.268 . 2 112 11 18 MET HB2 H 2.149 . 2 113 11 18 MET CG C 31.811 . 1 114 11 18 MET HG3 H 2.520 . 2 115 11 18 MET HG2 H 2.705 . 2 116 11 18 MET CE C 17.548 . 1 117 11 18 MET HE H 2.034 . 1 118 11 18 MET C C 177.511 . 1 119 12 19 ILE N N 117.432 . 1 120 12 19 ILE H H 7.494 . 1 121 12 19 ILE CA C 63.002 . 1 122 12 19 ILE HA H 3.766 . 1 123 12 19 ILE CB C 38.289 . 1 124 12 19 ILE HB H 1.477 . 1 125 12 19 ILE CG1 C 28.686 . 1 126 12 19 ILE HG13 H 1.892 . 2 127 12 19 ILE HG12 H 0.731 . 1 128 12 19 ILE CD1 C 13.348 . 1 129 12 19 ILE HD1 H 0.722 . 1 130 12 19 ILE CG2 C 19.410 . 1 131 12 19 ILE HG2 H 0.790 . 1 132 12 19 ILE C C 177.052 . 1 133 13 20 ASP N N 120.453 . 1 134 13 20 ASP H H 7.865 . 1 135 13 20 ASP CA C 52.758 . 1 136 13 20 ASP HA H 4.477 . 1 137 13 20 ASP CB C 38.916 . 1 138 13 20 ASP HB3 H 2.533 . 2 139 13 20 ASP HB2 H 1.487 . 2 140 13 20 ASP C C 178.089 . 1 141 14 21 THR N N 116.590 . 1 142 14 21 THR H H 8.070 . 1 143 14 21 THR CA C 64.541 . 1 144 14 21 THR HA H 3.985 . 1 145 14 21 THR CB C 68.702 . 1 146 14 21 THR HB H 4.307 . 1 147 14 21 THR CG2 C 23.376 . 1 148 14 21 THR HG2 H 1.284 . 1 149 14 21 THR C C 176.004 . 1 150 15 22 ASP N N 117.432 . 1 151 15 22 ASP H H 7.764 . 1 152 15 22 ASP CA C 52.628 . 1 153 15 22 ASP HA H 4.704 . 1 154 15 22 ASP CB C 39.378 . 1 155 15 22 ASP HB3 H 3.086 . 2 156 15 22 ASP HB2 H 2.676 . 2 157 15 22 ASP C C 176.991 . 1 158 16 23 ASN N N 115.692 . 1 159 16 23 ASN H H 8.155 . 1 160 16 23 ASN CA C 54.553 . 1 161 16 23 ASN HA H 4.348 . 1 162 16 23 ASN CB C 37.662 . 1 163 16 23 ASN HB3 H 3.080 . 2 164 16 23 ASN HB2 H 2.728 . 2 165 16 23 ASN ND2 N 112.220 . 1 166 16 23 ASN HD21 H 6.692 . 2 167 16 23 ASN HD22 H 7.436 . 2 168 16 23 ASN C C 175.105 . 1 169 17 24 SER N N 114.626 . 1 170 17 24 SER H H 8.626 . 1 171 17 24 SER CA C 59.947 . 1 172 17 24 SER HA H 4.293 . 1 173 17 24 SER CB C 64.944 . 1 174 17 24 SER HB3 H 3.954 . 2 175 17 24 SER HB2 H 4.239 . 2 176 17 24 SER C C 176.758 . 1 177 18 25 GLY N N 116.831 . 1 178 18 25 GLY H H 11.038 . 1 179 18 25 GLY CA C 45.572 . 1 180 18 25 GLY HA3 H 4.427 . 2 181 18 25 GLY HA2 H 3.701 . 2 182 18 25 GLY C C 173.162 . 1 183 19 26 THR N N 107.646 . 1 184 19 26 THR H H 7.747 . 1 185 19 26 THR CA C 58.126 . 1 186 19 26 THR HA H 4.958 . 1 187 19 26 THR CB C 72.918 . 1 188 19 26 THR HB H 3.837 . 1 189 19 26 THR CG2 C 23.608 . 1 190 19 26 THR HG2 H 1.179 . 1 191 19 26 THR C C 172.954 . 1 192 20 27 ILE N N 128.130 . 1 193 20 27 ILE H H 9.721 . 1 194 20 27 ILE CA C 59.788 . 1 195 20 27 ILE HA H 4.998 . 1 196 20 27 ILE CB C 40.400 . 1 197 20 27 ILE HB H 1.762 . 1 198 20 27 ILE CG1 C 27.648 . 1 199 20 27 ILE HG13 H 0.359 . 1 200 20 27 ILE HG12 H 0.949 . 2 201 20 27 ILE CD1 C 14.748 . 1 202 20 27 ILE HD1 H 0.110 . 1 203 20 27 ILE CG2 C 18.948 . 1 204 20 27 ILE HG2 H 0.855 . 1 205 20 27 ILE C C 176.627 . 1 206 21 28 THR N N 118.942 . 1 207 21 28 THR H H 8.736 . 1 208 21 28 THR CA C 60.140 . 1 209 21 28 THR HA H 4.856 . 1 210 21 28 THR CB C 71.237 . 1 211 21 28 THR HB H 4.676 . 1 212 21 28 THR CG2 C 22.676 . 1 213 21 28 THR HG2 H 1.282 . 1 214 21 28 THR C C 174.904 . 1 215 22 29 PHE N N 121.748 . 1 216 22 29 PHE H H 9.410 . 1 217 22 29 PHE CA C 61.711 . 1 218 22 29 PHE HA H 4.389 . 1 219 22 29 PHE CB C 38.948 . 1 220 22 29 PHE HB3 H 3.375 . 2 221 22 29 PHE HB2 H 3.059 . 2 222 22 29 PHE HD1 H 7.314 . 3 223 22 29 PHE HE1 H 7.255 . 3 224 22 29 PHE HZ H 7.234 . 1 225 22 29 PHE HE2 H 7.385 . 3 226 22 29 PHE C C 176.797 . 1 227 23 30 ASP N N 116.101 . 1 228 23 30 ASP H H 8.381 . 1 229 23 30 ASP CA C 57.870 . 1 230 23 30 ASP HA H 4.094 . 1 231 23 30 ASP CB C 40.519 . 1 232 23 30 ASP HB3 H 2.647 . 2 233 23 30 ASP HB2 H 2.497 . 2 234 23 30 ASP C C 178.832 . 1 235 24 31 GLU N N 117.863 . 1 236 24 31 GLU H H 7.517 . 1 237 24 31 GLU CA C 58.560 . 1 238 24 31 GLU HA H 4.083 . 1 239 24 31 GLU CB C 29.836 . 1 240 24 31 GLU HB3 H 2.353 . 2 241 24 31 GLU HB2 H 2.142 . 2 242 24 31 GLU CG C 36.890 . 1 243 24 31 GLU HG3 H 2.386 . 2 244 24 31 GLU HG2 H 2.476 . 2 245 24 31 GLU C C 180.417 . 1 246 25 32 LEU N N 123.274 . 1 247 25 32 LEU H H 8.618 . 1 248 25 32 LEU CA C 58.038 . 1 249 25 32 LEU HA H 3.861 . 1 250 25 32 LEU CB C 41.819 . 1 251 25 32 LEU HB3 H 1.936 . 2 252 25 32 LEU HB2 H 1.415 . 2 253 25 32 LEU CG C 26.868 . 1 254 25 32 LEU HG H 1.504 . 1 255 25 32 LEU CD1 C 22.908 . 1 256 25 32 LEU HD1 H 0.887 . 2 257 25 32 LEU CD2 C 26.868 . 1 258 25 32 LEU HD2 H 0.901 . 2 259 25 32 LEU C C 177.730 . 1 260 26 33 LYS N N 117.720 . 1 261 26 33 LYS H H 8.392 . 1 262 26 33 LYS CA C 59.962 . 1 263 26 33 LYS HA H 3.780 . 1 264 26 33 LYS CB C 31.990 . 1 265 26 33 LYS HB3 H 1.553 . 2 266 26 33 LYS HB2 H 1.397 . 2 267 26 33 LYS CG C 24.768 . 1 268 26 33 LYS HG3 H 1.220 . 2 269 26 33 LYS CD C 29.662 . 1 270 26 33 LYS HD3 H 1.549 . 2 271 26 33 LYS HD2 H 1.478 . 2 272 26 33 LYS CE C 41.550 . 1 273 26 33 LYS HE3 H 2.827 . 2 274 26 33 LYS HE2 H 2.647 . 2 275 26 33 LYS C C 178.875 . 1 276 27 34 ASP N N 118.726 . 1 277 27 34 ASP H H 7.856 . 1 278 27 34 ASP CA C 57.164 . 1 279 27 34 ASP HA H 4.423 . 1 280 27 34 ASP CB C 41.100 . 1 281 27 34 ASP HB3 H 2.667 . 2 282 27 34 ASP HB2 H 2.571 . 2 283 27 34 ASP C C 179.167 . 1 284 28 35 GLY N N 108.333 . 1 285 28 35 GLY H H 8.714 . 1 286 28 35 GLY CA C 47.371 . 1 287 28 35 GLY HA3 H 3.889 . 2 288 28 35 GLY HA2 H 3.645 . 2 289 28 35 GLY C C 175.105 . 1 290 29 36 LEU N N 120.091 . 1 291 29 36 LEU H H 8.398 . 1 292 29 36 LEU CA C 57.520 . 1 293 29 36 LEU HA H 4.198 . 1 294 29 36 LEU CB C 39.922 . 1 295 29 36 LEU HB3 H 1.855 . 2 296 29 36 LEU HB2 H 1.475 . 2 297 29 36 LEU CG C 27.570 . 1 298 29 36 LEU HG H 1.867 . 1 299 29 36 LEU CD1 C 26.410 . 2 300 29 36 LEU HD1 H 0.781 . 2 301 29 36 LEU CD2 C 22.210 . 2 302 29 36 LEU HD2 H 0.794 . 2 303 30 37 LYS N N 119.041 . 1 304 30 37 LYS H H 7.497 . 1 305 30 37 LYS CA C 59.516 . 1 306 30 37 LYS HA H 4.154 . 1 307 30 37 LYS CB C 31.822 . 1 308 30 37 LYS HB3 H 2.022 . 2 309 30 37 LYS HB2 H 2.000 . 2 310 30 37 LYS CG C 25.008 . 1 311 30 37 LYS HG3 H 1.478 . 2 312 30 37 LYS HG2 H 1.542 . 2 313 30 37 LYS CD C 28.900 . 1 314 30 37 LYS HD2 H 1.748 . 2 315 30 37 LYS HE2 H 3.007 . 2 316 31 38 ARG N N 119.701 . 1 317 31 38 ARG H H 7.865 . 1 318 31 38 ARG CA C 59.032 . 1 319 31 38 ARG HA H 4.117 . 1 320 31 38 ARG CB C 30.387 . 1 321 31 38 ARG HB3 H 2.053 . 2 322 31 38 ARG HB2 H 1.996 . 2 323 31 38 ARG CG C 28.300 . 1 324 31 38 ARG HG3 H 1.645 . 2 325 31 38 ARG HG2 H 1.849 . 2 326 31 38 ARG CD C 43.765 . 1 327 31 38 ARG HD2 H 3.243 . 2 328 32 39 VAL N N 110.310 . 1 329 32 39 VAL H H 7.514 . 1 330 32 39 VAL CA C 61.375 . 1 331 32 39 VAL HA H 4.429 . 1 332 32 39 VAL CB C 31.464 . 1 333 32 39 VAL HB H 2.498 . 1 334 32 39 VAL CG2 C 19.640 . 2 335 32 39 VAL HG2 H 1.022 . 2 336 32 39 VAL CG1 C 21.270 . 2 337 32 39 VAL HG1 H 0.833 . 2 338 32 39 VAL C C 176.458 . 1 339 33 40 GLY N N 108.321 . 1 340 33 40 GLY H H 7.694 . 1 341 33 40 GLY CA C 45.982 . 1 342 33 40 GLY HA3 H 4.191 . 2 343 33 40 GLY HA2 H 3.848 . 2 344 33 40 GLY C C 175.014 . 1 345 34 41 SER N N 114.250 . 1 346 34 41 SER H H 7.952 . 1 347 34 41 SER CA C 58.573 . 1 348 34 41 SER HA H 4.354 . 1 349 34 41 SER CB C 64.308 . 1 350 34 41 SER HB3 H 3.741 . 2 351 34 41 SER HB2 H 3.573 . 2 352 34 41 SER C C 176.025 . 1 353 35 42 GLU N N 126.587 . 1 354 35 42 GLU H H 8.967 . 1 355 35 42 GLU CA C 56.214 . 1 356 35 42 GLU HA H 4.382 . 1 357 35 42 GLU CB C 29.687 . 1 358 35 42 GLU HB3 H 2.280 . 2 359 35 42 GLU HB2 H 1.861 . 2 360 35 42 GLU CG C 36.259 . 1 361 35 42 GLU HG3 H 2.228 . 2 362 35 42 GLU HG2 H 2.319 . 2 363 35 42 GLU C C 176.474 . 1 364 36 43 LEU N N 122.179 . 1 365 36 43 LEU H H 7.830 . 1 366 36 43 LEU CA C 55.597 . 1 367 36 43 LEU HA H 4.306 . 1 368 36 43 LEU CB C 42.852 . 1 369 36 43 LEU HB3 H 1.529 . 2 370 36 43 LEU HB2 H 1.400 . 2 371 36 43 LEU CG C 27.568 . 1 372 36 43 LEU HG H 1.644 . 1 373 36 43 LEU CD1 C 23.608 . 1 374 36 43 LEU HD1 H 0.768 . 2 375 36 43 LEU CD2 C 25.940 . 1 376 36 43 LEU HD2 H 0.771 . 2 377 36 43 LEU C C 177.630 . 1 378 37 44 MET N N 120.409 . 1 379 37 44 MET H H 9.281 . 1 380 37 44 MET CA C 54.990 . 1 381 37 44 MET CB C 34.330 . 1 382 37 44 MET HB3 H 2.089 . 2 383 37 44 MET HB2 H 2.380 . 2 384 37 44 MET CG C 32.466 . 1 385 37 44 MET HG3 H 2.839 . 2 386 37 44 MET HG2 H 2.699 . 2 387 37 44 MET CE C 17.318 . 1 388 37 44 MET HE H 2.157 . 1 389 37 44 MET C C 178.055 . 1 390 38 45 GLU CA C 61.830 . 1 391 38 45 GLU HA H 3.880 . 1 392 38 45 GLU CB C 29.400 . 1 393 38 45 GLU HB3 H 2.160 . 2 394 38 45 GLU HB2 H 2.240 . 2 395 38 45 GLU CG C 37.360 . 1 396 38 45 GLU HG3 H 2.367 . 2 397 38 45 GLU HG2 H 2.411 . 2 398 39 46 SER N N 112.507 . 1 399 39 46 SER H H 8.681 . 1 400 39 46 SER CA C 61.552 . 1 401 39 46 SER HA H 4.132 . 1 402 39 46 SER CB C 61.600 . 1 403 39 46 SER HB3 H 3.921 . 2 404 39 46 SER HB2 H 3.982 . 2 405 40 47 GLU N N 121.748 . 1 406 40 47 GLU H H 7.063 . 1 407 40 47 GLU CA C 58.331 . 1 408 40 47 GLU HA H 4.281 . 1 409 40 47 GLU CB C 30.750 . 1 410 40 47 GLU HB3 H 2.522 . 2 411 40 47 GLU HB2 H 2.087 . 2 412 40 47 GLU CG C 37.839 . 1 413 40 47 GLU HG3 H 2.318 . 2 414 40 47 GLU C C 179.626 . 1 415 41 48 ILE N N 121.963 . 1 416 41 48 ILE H H 8.155 . 1 417 41 48 ILE CA C 65.311 . 1 418 41 48 ILE HA H 3.597 . 1 419 41 48 ILE CB C 37.443 . 1 420 41 48 ILE HB H 2.035 . 1 421 41 48 ILE CG1 C 29.669 . 1 422 41 48 ILE HG13 H 1.816 . 2 423 41 48 ILE HG12 H 0.732 . 1 424 41 48 ILE CD1 C 14.048 . 1 425 41 48 ILE HD1 H 0.787 . 1 426 41 48 ILE CG2 C 18.480 . 1 427 41 48 ILE HG2 H 0.775 . 1 428 41 48 ILE C C 177.854 . 1 429 42 49 LYS N N 121.316 . 1 430 42 49 LYS H H 8.351 . 1 431 42 49 LYS CA C 59.737 . 1 432 42 49 LYS HA H 3.969 . 1 433 42 49 LYS CB C 31.741 . 1 434 42 49 LYS HB3 H 2.029 . 2 435 42 49 LYS HB2 H 1.888 . 2 436 42 49 LYS CG C 25.478 . 1 437 42 49 LYS HG3 H 1.400 . 2 438 42 49 LYS HG2 H 1.334 . 2 439 42 49 LYS CD C 28.580 . 1 440 42 49 LYS HD3 H 1.544 . 2 441 42 49 LYS HD2 H 1.342 . 2 442 42 49 LYS CE C 42.225 . 1 443 42 49 LYS HE2 H 2.793 . 2 444 42 49 LYS C C 178.316 . 1 445 43 50 ASP N N 118.726 . 1 446 43 50 ASP H H 7.754 . 1 447 43 50 ASP CA C 57.640 . 1 448 43 50 ASP HA H 4.380 . 1 449 43 50 ASP CB C 40.312 . 1 450 43 50 ASP HB3 H 2.802 . 2 451 43 50 ASP HB2 H 2.677 . 2 452 43 50 ASP C C 178.985 . 1 453 44 51 LEU N N 122.611 . 1 454 44 51 LEU H H 7.779 . 1 455 44 51 LEU CA C 58.040 . 1 456 44 51 LEU HA H 4.048 . 1 457 44 51 LEU CB C 41.981 . 1 458 44 51 LEU HB3 H 1.856 . 2 459 44 51 LEU HB2 H 1.755 . 2 460 44 51 LEU CG C 27.340 . 1 461 44 51 LEU HG H 1.608 . 1 462 44 51 LEU CD1 C 24.778 . 1 463 44 51 LEU HD1 H 0.841 . 2 464 44 51 LEU CD2 C 25.478 . 2 465 44 51 LEU HD2 H 0.807 . 2 466 44 51 LEU C C 178.288 . 1 467 45 52 MET N N 119.103 . 1 468 45 52 MET H H 8.399 . 1 469 45 52 MET CA C 58.954 . 1 470 45 52 MET HA H 3.984 . 1 471 45 52 MET CB C 31.767 . 1 472 45 52 MET HB3 H 2.465 . 2 473 45 52 MET HB2 H 1.980 . 2 474 45 52 MET CG C 32.626 . 1 475 45 52 MET HG3 H 2.538 . 2 476 45 52 MET HG2 H 2.793 . 2 477 45 52 MET CE C 18.478 . 1 478 45 52 MET HE H 2.033 . 1 479 45 52 MET C C 177.455 . 1 480 46 53 ASP N N 116.753 . 1 481 46 53 ASP H H 8.341 . 1 482 46 53 ASP CA C 57.014 . 1 483 46 53 ASP HA H 4.343 . 1 484 46 53 ASP CB C 40.563 . 1 485 46 53 ASP HB3 H 2.637 . 2 486 46 53 ASP HB2 H 2.739 . 2 487 46 53 ASP C C 178.651 . 1 488 47 54 ALA N N 119.517 . 1 489 47 54 ALA H H 7.777 . 1 490 47 54 ALA CA C 54.083 . 1 491 47 54 ALA HA H 4.068 . 1 492 47 54 ALA CB C 18.713 . 1 493 47 54 ALA HB H 1.336 . 1 494 47 54 ALA C C 179.347 . 1 495 48 55 ALA N N 117.261 . 1 496 48 55 ALA H H 8.085 . 1 497 48 55 ALA CA C 52.724 . 1 498 48 55 ALA HA H 4.382 . 1 499 48 55 ALA CB C 20.112 . 1 500 48 55 ALA HB H 1.352 . 1 501 48 55 ALA C C 178.957 . 1 502 49 56 ASP N N 117.159 . 1 503 49 56 ASP H H 8.076 . 1 504 49 56 ASP CA C 52.674 . 1 505 49 56 ASP HA H 4.739 . 1 506 49 56 ASP CB C 38.900 . 1 507 49 56 ASP HB3 H 3.000 . 2 508 49 56 ASP HB2 H 2.399 . 2 509 50 57 ILE N N 125.584 . 1 510 50 57 ILE H H 8.039 . 1 511 50 57 ILE CA C 63.710 . 1 512 50 57 ILE HA H 3.903 . 1 513 50 57 ILE CB C 38.146 . 1 514 50 57 ILE HB H 2.036 . 1 515 50 57 ILE CG1 C 28.038 . 1 516 50 57 ILE HG13 H 1.426 . 1 517 50 57 ILE HG12 H 1.654 . 1 518 50 57 ILE CD1 C 12.878 . 1 519 50 57 ILE HD1 H 0.955 . 1 520 50 57 ILE CG2 C 18.248 . 1 521 50 57 ILE HG2 H 1.035 . 1 522 50 57 ILE C C 177.555 . 1 523 51 58 ASP N N 116.280 . 1 524 51 58 ASP H H 7.964 . 1 525 51 58 ASP CA C 52.419 . 1 526 51 58 ASP HA H 4.637 . 1 527 51 58 ASP CB C 39.698 . 1 528 51 58 ASP HB3 H 3.119 . 2 529 51 58 ASP HB2 H 2.676 . 2 530 51 58 ASP C C 175.996 . 1 531 52 59 LYS N N 115.355 . 1 532 52 59 LYS H H 7.863 . 1 533 52 59 LYS CA C 57.084 . 1 534 52 59 LYS HA H 3.909 . 1 535 52 59 LYS CB C 28.644 . 1 536 52 59 LYS HB3 H 1.962 . 2 537 52 59 LYS CG C 25.010 . 1 538 52 59 LYS HG3 H 1.358 . 2 539 52 59 LYS HG2 H 1.449 . 2 540 52 59 LYS CD C 28.424 . 1 541 52 59 LYS HD3 H 1.682 . 2 542 52 59 LYS HD2 H 1.759 . 2 543 52 59 LYS CE C 42.408 . 1 544 52 59 LYS HE2 H 3.059 . 2 545 52 59 LYS C C 176.414 . 1 546 53 60 SER N N 114.846 . 1 547 53 60 SER H H 8.809 . 1 548 53 60 SER CA C 59.662 . 1 549 53 60 SER HA H 4.303 . 1 550 53 60 SER CB C 65.289 . 1 551 53 60 SER HB3 H 3.999 . 2 552 53 60 SER HB2 H 4.262 . 2 553 53 60 SER C C 176.742 . 1 554 54 61 GLY N N 116.308 . 1 555 54 61 GLY H H 10.775 . 1 556 54 61 GLY CA C 45.450 . 1 557 54 61 GLY HA3 H 4.306 . 2 558 54 61 GLY HA2 H 3.549 . 2 559 54 61 GLY C C 172.826 . 1 560 55 62 THR N N 106.210 . 1 561 55 62 THR H H 7.604 . 1 562 55 62 THR CA C 58.106 . 1 563 55 62 THR HA H 4.828 . 1 564 55 62 THR CB C 73.482 . 1 565 55 62 THR HB H 3.789 . 1 566 55 62 THR CG2 C 23.374 . 1 567 55 62 THR HG2 H 1.082 . 1 568 55 62 THR C C 173.352 . 1 569 56 63 ILE N N 126.279 . 1 570 56 63 ILE H H 9.690 . 1 571 56 63 ILE CA C 58.910 . 1 572 56 63 ILE HA H 5.211 . 1 573 56 63 ILE CB C 39.450 . 1 574 56 63 ILE HB H 2.037 . 1 575 56 63 ILE CG1 C 27.826 . 1 576 56 63 ILE HG13 H 1.600 . 2 577 56 63 ILE HG12 H 1.076 . 1 578 56 63 ILE CD1 C 13.819 . 1 579 56 63 ILE HD1 H 0.924 . 1 580 56 63 ILE CG2 C 18.708 . 1 581 56 63 ILE HG2 H 1.263 . 1 582 56 63 ILE C C 176.157 . 1 583 57 64 ASP N N 129.038 . 1 584 57 64 ASP H H 9.099 . 1 585 57 64 ASP CA C 52.504 . 1 586 57 64 ASP HA H 5.296 . 1 587 57 64 ASP CB C 41.866 . 1 588 57 64 ASP HB3 H 3.345 . 2 589 57 64 ASP HB2 H 2.645 . 2 590 57 64 ASP C C 175.777 . 1 591 58 65 TYR N N 119.158 . 1 592 58 65 TYR H H 8.728 . 1 593 58 65 TYR CA C 62.311 . 1 594 58 65 TYR HA H 3.629 . 1 595 58 65 TYR CB C 37.948 . 1 596 58 65 TYR HB3 H 2.555 . 2 597 58 65 TYR HB2 H 2.289 . 2 598 58 65 TYR HD1 H 6.347 . 3 599 58 65 TYR HE1 H 6.567 . 3 600 58 65 TYR C C 176.917 . 1 601 59 66 GLY N N 105.406 . 1 602 59 66 GLY H H 8.270 . 1 603 59 66 GLY CA C 47.147 . 1 604 59 66 GLY HA3 H 3.904 . 2 605 59 66 GLY HA2 H 3.593 . 2 606 59 66 GLY C C 178.079 . 1 607 60 67 GLU N N 122.503 . 1 608 60 67 GLU H H 8.426 . 1 609 60 67 GLU CA C 58.058 . 1 610 60 67 GLU HA H 4.194 . 1 611 60 67 GLU CB C 30.642 . 1 612 60 67 GLU HB3 H 2.535 . 2 613 60 67 GLU HB2 H 2.272 . 2 614 60 67 GLU CG C 37.360 . 1 615 60 67 GLU HG3 H 2.407 . 2 616 60 67 GLU HG2 H 2.962 . 2 617 60 67 GLU C C 179.694 . 1 618 61 68 PHE N N 122.179 . 1 619 61 68 PHE H H 8.847 . 1 620 61 68 PHE CA C 61.627 . 1 621 61 68 PHE HA H 3.960 . 1 622 61 68 PHE CB C 40.093 . 1 623 61 68 PHE HB3 H 3.397 . 2 624 61 68 PHE HB2 H 3.277 . 2 625 61 68 PHE HD1 H 7.037 . 3 626 61 68 PHE HE1 H 6.967 . 3 627 61 68 PHE HZ H 7.206 . 1 628 61 68 PHE C C 177.414 . 1 629 62 69 ILE N N 116.137 . 1 630 62 69 ILE H H 8.134 . 1 631 62 69 ILE CA C 63.395 . 1 632 62 69 ILE HA H 3.613 . 1 633 62 69 ILE CB C 36.914 . 1 634 62 69 ILE HB H 1.824 . 1 635 62 69 ILE CG1 C 27.105 . 1 636 62 69 ILE HG13 H 1.174 . 1 637 62 69 ILE HG12 H 1.097 . 2 638 62 69 ILE CD1 C 12.180 . 1 639 62 69 ILE HD1 H 0.656 . 1 640 62 69 ILE CG2 C 17.560 . 1 641 62 69 ILE HG2 H 0.735 . 1 642 62 69 ILE C C 178.635 . 1 643 63 70 ALA N N 121.616 . 1 644 63 70 ALA H H 7.395 . 1 645 63 70 ALA CA C 54.160 . 1 646 63 70 ALA HA H 4.189 . 1 647 63 70 ALA CB C 18.718 . 1 648 63 70 ALA HB H 1.534 . 1 649 63 70 ALA C C 179.090 . 1 650 64 71 ALA N N 118.880 . 1 651 64 71 ALA H H 7.646 . 1 652 64 71 ALA CA C 52.745 . 1 653 64 71 ALA HA H 4.378 . 1 654 64 71 ALA CB C 19.178 . 1 655 64 71 ALA HB H 1.422 . 1 656 64 71 ALA C C 178.329 . 1 657 65 72 THR N N 109.879 . 1 658 65 72 THR H H 7.607 . 1 659 65 72 THR CA C 64.837 . 1 660 65 72 THR HA H 3.835 . 1 661 65 72 THR HB H 4.064 . 1 662 65 72 THR CG2 C 21.268 . 1 663 65 72 THR HG2 H 0.807 . 1 664 65 72 THR C C 176.018 . 1 665 66 73 VAL N N 119.450 . 1 666 66 73 VAL H H 7.397 . 1 667 66 73 VAL CA C 64.160 . 1 668 66 73 VAL HA H 3.845 . 1 669 66 73 VAL CB C 31.530 . 1 670 66 73 VAL HB H 1.950 . 1 671 66 73 VAL CG2 C 20.570 . 2 672 66 73 VAL HG2 H 0.711 . 2 673 66 73 VAL CG1 C 21.510 . 2 674 66 73 VAL HG1 H 0.830 . 2 675 66 73 VAL C C 176.352 . 1 676 67 74 HIS N N 118.214 . 1 677 67 74 HIS H H 7.745 . 1 678 67 74 HIS CA C 57.406 . 1 679 67 74 HIS HA H 4.511 . 1 680 67 74 HIS CB C 30.900 . 1 681 67 74 HIS HB3 H 3.156 . 2 682 67 74 HIS HB2 H 3.001 . 2 683 67 74 HIS HD2 H 6.936 . 1 684 68 75 LEU N N 119.633 . 1 685 68 75 LEU H H 7.595 . 1 686 68 75 LEU CA C 55.271 . 1 687 68 75 LEU HA H 4.265 . 1 688 68 75 LEU CB C 41.999 . 1 689 68 75 LEU HB3 H 1.545 . 2 690 68 75 LEU HB2 H 1.597 . 2 691 68 75 LEU CG C 27.570 . 1 692 68 75 LEU HG H 1.637 . 1 693 68 75 LEU CD2 C 23.370 . 1 694 68 75 LEU HD2 H 0.770 . 2 695 69 76 ASN N N 118.056 . 1 696 69 76 ASN H H 7.950 . 1 697 69 76 ASN CA C 53.414 . 1 698 69 76 ASN HA H 4.719 . 1 699 69 76 ASN CB C 39.058 . 1 700 69 76 ASN HB3 H 2.840 . 2 701 69 76 ASN HB2 H 2.683 . 2 702 70 77 LYS N N 125.825 . 1 703 70 77 LYS H H 7.720 . 1 704 70 77 LYS CA C 57.872 . 1 705 70 77 LYS HA H 3.997 . 1 706 70 77 LYS CB C 33.938 . 1 707 70 77 LYS HB3 H 1.905 . 2 708 70 77 LYS HG3 H 1.459 . 2 709 70 77 LYS HD2 H 1.694 . 2 710 70 77 LYS HE2 H 3.011 . 2 711 71 78 LEU N N 120.894 . 1 712 71 78 LEU H H 7.915 . 1 713 71 78 LEU CA C 54.609 . 1 714 71 78 LEU HA H 4.036 . 1 715 71 78 LEU CB C 43.887 . 1 716 71 78 LEU HB3 H 1.652 . 2 717 71 78 LEU CD1 C 24.100 . 1 718 71 78 LEU HD1 H 0.891 . 2 719 72 79 GLU N N 120.579 . 1 720 72 79 GLU H H 8.107 . 1 721 72 79 GLU CA C 56.551 . 1 722 72 79 GLU HA H 4.297 . 1 723 72 79 GLU CB C 30.331 . 1 724 72 79 GLU HB3 H 2.047 . 2 725 72 79 GLU HG3 H 2.260 . 2 726 73 80 ARG N N 121.636 . 1 727 73 80 ARG H H 8.205 . 1 728 73 80 ARG CA C 56.047 . 1 729 73 80 ARG HA H 4.377 . 1 730 73 80 ARG CB C 31.317 . 1 731 73 80 ARG HB3 H 1.821 . 2 732 73 80 ARG HG2 H 1.624 . 2 733 73 80 ARG HD2 H 3.208 . 2 734 74 81 GLU N N 122.944 . 1 735 74 81 GLU H H 8.436 . 1 736 74 81 GLU CA C 56.689 . 1 737 74 81 GLU CB C 30.488 . 1 738 77 84 LEU HA H 3.937 . 1 739 77 84 LEU HB3 H 1.935 . 2 740 77 84 LEU HB2 H 2.076 . 2 741 77 84 LEU HG H 1.935 . 1 742 77 84 LEU HD1 H 0.917 . 2 743 78 85 VAL N N 120.012 . 1 744 78 85 VAL H H 8.082 . 1 745 78 85 VAL CA C 66.492 . 1 746 78 85 VAL HA H 3.874 . 1 747 78 85 VAL CB C 31.760 . 1 748 78 85 VAL HB H 2.196 . 1 749 78 85 VAL CG2 C 23.148 . 2 750 78 85 VAL HG2 H 0.999 . 2 751 79 86 SER N N 119.450 . 1 752 79 86 SER H H 8.322 . 1 753 79 86 SER HA H 4.303 . 1 754 79 86 SER HB3 H 3.950 . 2 755 80 87 ALA N N 124.455 . 1 756 80 87 ALA H H 8.061 . 1 757 80 87 ALA CA C 55.304 . 1 758 80 87 ALA HA H 4.288 . 1 759 80 87 ALA CB C 18.524 . 1 760 80 87 ALA HB H 1.840 . 1 761 80 87 ALA C C 178.678 . 1 762 81 88 PHE N N 119.148 . 1 763 81 88 PHE H H 8.636 . 1 764 81 88 PHE CA C 61.968 . 1 765 81 88 PHE HA H 3.243 . 1 766 81 88 PHE CB C 39.685 . 1 767 81 88 PHE HB3 H 2.957 . 2 768 81 88 PHE HB2 H 3.243 . 2 769 81 88 PHE HD1 H 6.727 . 3 770 81 88 PHE HE1 H 7.084 . 3 771 81 88 PHE HE2 H 6.997 . 3 772 81 88 PHE C C 177.854 . 1 773 82 89 SER N N 113.338 . 1 774 82 89 SER H H 8.495 . 1 775 82 89 SER CA C 61.362 . 1 776 82 89 SER HA H 4.053 . 1 777 82 89 SER CB C 62.998 . 1 778 82 89 SER HB3 H 4.059 . 2 779 82 89 SER HB2 H 4.027 . 2 780 82 89 SER C C 174.945 . 1 781 83 90 TYR N N 120.453 . 1 782 83 90 TYR H H 7.511 . 1 783 83 90 TYR CA C 60.495 . 1 784 83 90 TYR HA H 3.993 . 1 785 83 90 TYR CB C 38.066 . 1 786 83 90 TYR HB3 H 3.075 . 2 787 83 90 TYR HB2 H 2.993 . 2 788 83 90 TYR HD1 H 6.506 . 3 789 83 90 TYR HE1 H 6.050 . 3 790 83 90 TYR HD2 H 6.435 . 3 791 83 90 TYR C C 176.449 . 1 792 84 91 PHE N N 113.116 . 1 793 84 91 PHE H H 7.065 . 1 794 84 91 PHE CA C 59.962 . 1 795 84 91 PHE HA H 3.933 . 1 796 84 91 PHE CB C 41.490 . 1 797 84 91 PHE HB3 H 2.626 . 2 798 84 91 PHE HB2 H 2.595 . 2 799 84 91 PHE HD1 H 7.257 . 3 800 84 91 PHE HE1 H 6.588 . 3 801 84 91 PHE C C 177.675 . 1 802 85 92 ASP N N 118.197 . 1 803 85 92 ASP H H 7.905 . 1 804 85 92 ASP CA C 52.859 . 1 805 85 92 ASP HA H 4.670 . 1 806 85 92 ASP CB C 38.720 . 1 807 85 92 ASP HB3 H 1.403 . 2 808 85 92 ASP HB2 H 2.370 . 2 809 86 93 LYS N N 125.525 . 1 810 86 93 LYS H H 7.972 . 1 811 86 93 LYS CA C 58.346 . 1 812 86 93 LYS HA H 3.943 . 1 813 86 93 LYS CB C 33.080 . 1 814 86 93 LYS HB3 H 1.821 . 2 815 86 93 LYS CG C 24.768 . 1 816 86 93 LYS HG3 H 1.412 . 2 817 86 93 LYS HG2 H 1.468 . 2 818 86 93 LYS CD C 28.730 . 1 819 86 93 LYS HD2 H 1.646 . 2 820 86 93 LYS CE C 42.400 . 1 821 86 93 LYS HE2 H 2.920 . 2 822 86 93 LYS C C 177.873 . 1 823 87 94 ASP N N 113.959 . 1 824 87 94 ASP H H 7.990 . 1 825 87 94 ASP CA C 52.762 . 1 826 87 94 ASP HA H 4.642 . 1 827 87 94 ASP CB C 39.789 . 1 828 87 94 ASP HB3 H 2.744 . 2 829 87 94 ASP HB2 H 3.121 . 2 830 87 94 ASP C C 177.873 . 1 831 88 95 GLY N N 109.232 . 1 832 88 95 GLY H H 7.925 . 1 833 88 95 GLY CA C 47.145 . 1 834 88 95 GLY HA3 H 3.796 . 2 835 88 95 GLY HA2 H 3.850 . 2 836 88 95 GLY C C 175.409 . 1 837 89 96 SER N N 116.166 . 1 838 89 96 SER H H 8.554 . 1 839 89 96 SER CA C 59.137 . 1 840 89 96 SER HA H 4.269 . 1 841 89 96 SER CB C 65.184 . 1 842 89 96 SER HB3 H 4.049 . 2 843 89 96 SER HB2 H 4.291 . 2 844 89 96 SER C C 175.409 . 1 845 90 97 GLY N N 114.444 . 1 846 90 97 GLY H H 10.610 . 1 847 90 97 GLY CA C 44.844 . 1 848 90 97 GLY HA3 H 4.222 . 2 849 90 97 GLY HA2 H 3.477 . 2 850 90 97 GLY C C 172.066 . 1 851 91 98 TYR N N 113.547 . 1 852 91 98 TYR H H 7.626 . 1 853 91 98 TYR CA C 56.007 . 1 854 91 98 TYR HA H 5.182 . 1 855 91 98 TYR CB C 42.062 . 1 856 91 98 TYR HB3 H 2.588 . 2 857 91 98 TYR HD1 H 6.943 . 3 858 91 98 TYR HE1 H 6.056 . 3 859 91 98 TYR HE2 H 6.156 . 3 860 91 98 TYR C C 175.193 . 1 861 92 99 ILE N N 128.653 . 1 862 92 99 ILE H H 10.151 . 1 863 92 99 ILE CA C 60.204 . 1 864 92 99 ILE HA H 4.862 . 1 865 92 99 ILE CB C 39.610 . 1 866 92 99 ILE HB H 1.711 . 1 867 92 99 ILE CG1 C 27.338 . 1 868 92 99 ILE HG13 H 1.126 . 1 869 92 99 ILE HG12 H 0.179 . 1 870 92 99 ILE CD1 C 16.148 . 1 871 92 99 ILE HD1 H 0.179 . 1 872 92 99 ILE CG2 C 18.938 . 1 873 92 99 ILE HG2 H 0.786 . 1 874 92 99 ILE C C 176.281 . 1 875 93 100 THR N N 117.647 . 1 876 93 100 THR H H 8.634 . 1 877 93 100 THR CA C 59.271 . 1 878 93 100 THR HA H 4.864 . 1 879 93 100 THR CB C 71.851 . 1 880 93 100 THR HB H 4.726 . 1 881 93 100 THR CG2 C 23.142 . 1 882 93 100 THR HG2 H 1.285 . 1 883 93 100 THR C C 176.420 . 1 884 94 101 LEU N N 122.179 . 1 885 94 101 LEU H H 9.072 . 1 886 94 101 LEU CA C 59.486 . 1 887 94 101 LEU HA H 3.875 . 1 888 94 101 LEU CB C 41.861 . 1 889 94 101 LEU HB3 H 1.757 . 2 890 94 101 LEU CG C 27.568 . 1 891 94 101 LEU HG H 1.620 . 1 892 94 101 LEU CD1 C 25.007 . 1 893 94 101 LEU HD1 H 0.901 . 2 894 94 101 LEU CD2 C 24.308 . 1 895 94 101 LEU HD2 H 0.887 . 2 896 94 101 LEU C C 178.517 . 1 897 95 102 ASP N N 115.705 . 1 898 95 102 ASP H H 8.566 . 1 899 95 102 ASP CA C 56.940 . 1 900 95 102 ASP HA H 4.425 . 1 901 95 102 ASP CB C 40.400 . 1 902 95 102 ASP HB3 H 2.684 . 2 903 95 102 ASP HB2 H 2.584 . 2 904 95 102 ASP C C 178.773 . 1 905 96 103 GLU N N 119.590 . 1 906 96 103 GLU H H 7.533 . 1 907 96 103 GLU CA C 59.269 . 1 908 96 103 GLU HA H 4.041 . 1 909 96 103 GLU CB C 29.194 . 1 910 96 103 GLU HB3 H 2.577 . 2 911 96 103 GLU HB2 H 2.510 . 2 912 96 103 GLU CG C 38.435 . 1 913 96 103 GLU HG3 H 2.549 . 2 914 96 103 GLU HG2 H 2.315 . 2 915 96 103 GLU C C 180.512 . 1 916 97 104 ILE N N 121.235 . 1 917 97 104 ILE H H 7.966 . 1 918 97 104 ILE CA C 65.562 . 1 919 97 104 ILE HA H 3.801 . 1 920 97 104 ILE CB C 37.756 . 1 921 97 104 ILE HB H 1.971 . 1 922 97 104 ILE CG1 C 29.203 . 1 923 97 104 ILE HG13 H 1.715 . 1 924 97 104 ILE HG12 H 0.674 . 1 925 97 104 ILE CD1 C 12.880 . 1 926 97 104 ILE HD1 H 0.594 . 1 927 97 104 ILE CG2 C 18.248 . 1 928 97 104 ILE HG2 H 0.828 . 1 929 97 104 ILE C C 177.326 . 1 930 98 105 GLN N N 118.761 . 1 931 98 105 GLN H H 8.426 . 1 932 98 105 GLN CA C 59.264 . 1 933 98 105 GLN HA H 3.921 . 1 934 98 105 GLN CB C 28.777 . 1 935 98 105 GLN HB3 H 2.123 . 2 936 98 105 GLN HB2 H 2.227 . 2 937 98 105 GLN CG C 34.098 . 1 938 98 105 GLN HG3 H 2.527 . 2 939 98 105 GLN HG2 H 2.293 . 2 940 98 105 GLN NE2 N 111.070 . 1 941 98 105 GLN HE21 H 6.774 . 2 942 98 105 GLN HE22 H 7.487 . 2 943 98 105 GLN C C 178.700 . 1 944 99 106 GLN N N 114.924 . 1 945 99 106 GLN H H 7.988 . 1 946 99 106 GLN CA C 58.323 . 1 947 99 106 GLN HA H 4.087 . 1 948 99 106 GLN CB C 28.944 . 1 949 99 106 GLN HB3 H 2.123 . 2 950 99 106 GLN CG C 34.098 . 1 951 99 106 GLN HG3 H 2.540 . 2 952 99 106 GLN HG2 H 2.489 . 2 953 99 106 GLN HE21 H 7.832 . 2 954 99 106 GLN C C 178.380 . 1 955 100 107 ALA N N 120.008 . 1 956 100 107 ALA H H 7.910 . 1 957 100 107 ALA CA C 54.427 . 1 958 100 107 ALA HA H 4.238 . 1 959 100 107 ALA CB C 20.214 . 1 960 100 107 ALA HB H 1.418 . 1 961 101 108 CYS N N 111.948 . 1 962 101 108 CYS H H 8.134 . 1 963 101 108 CYS CA C 53.515 . 1 964 101 108 CYS HA H 5.326 . 1 965 101 108 CYS CB C 40.010 . 1 966 101 108 CYS HB3 H 3.408 . 2 967 101 108 CYS HB2 H 2.876 . 2 968 102 109 LYS N N 124.316 . 1 969 102 109 LYS H H 7.688 . 1 970 102 109 LYS CA C 59.795 . 1 971 102 109 LYS CB C 32.087 . 1 972 103 110 ASP N N 118.084 . 1 973 103 110 ASP H H 8.828 . 1 974 103 110 ASP CA C 55.833 . 1 975 103 110 ASP HA H 4.617 . 1 976 103 110 ASP CB C 39.787 . 1 977 103 110 ASP HB3 H 2.693 . 2 978 103 110 ASP HB2 H 2.498 . 2 979 104 111 PHE N N 118.501 . 1 980 104 111 PHE H H 7.964 . 1 981 104 111 PHE CA C 58.554 . 1 982 104 111 PHE HA H 4.470 . 1 983 104 111 PHE CB C 39.920 . 1 984 104 111 PHE HB3 H 3.131 . 2 985 104 111 PHE HB2 H 3.284 . 2 986 104 111 PHE HD1 H 7.285 . 3 987 104 111 PHE HE1 H 7.365 . 3 988 104 111 PHE HE2 H 7.186 . 3 989 105 112 GLY N N 107.647 . 1 990 105 112 GLY H H 8.048 . 1 991 105 112 GLY CA C 46.270 . 1 992 105 112 GLY HA3 H 3.942 . 1 993 105 112 GLY HA2 H 3.942 . 1 994 106 113 LEU N N 120.634 . 1 995 106 113 LEU H H 7.931 . 1 996 106 113 LEU CA C 54.689 . 1 997 106 113 LEU HA H 4.458 . 1 998 106 113 LEU CB C 42.498 . 1 999 106 113 LEU HB3 H 1.698 . 2 1000 106 113 LEU HB2 H 1.525 . 2 1001 106 113 LEU CD1 C 23.840 . 1 1002 106 113 LEU HD1 H 0.824 . 2 1003 106 113 LEU CD2 C 25.240 . 1 1004 106 113 LEU HD2 H 0.724 . 2 1005 107 114 ASP N N 121.998 . 1 1006 107 114 ASP H H 8.648 . 1 1007 107 114 ASP CA C 54.121 . 1 1008 107 114 ASP HA H 4.709 . 1 1009 107 114 ASP CB C 41.780 . 1 1010 107 114 ASP HB3 H 2.731 . 2 1011 108 115 ASP N N 120.219 . 1 1012 108 115 ASP H H 8.414 . 1 1013 108 115 ASP CA C 57.707 . 1 1014 108 115 ASP HA H 4.324 . 1 1015 108 115 ASP CB C 39.690 . 1 1016 108 115 ASP HB3 H 2.679 . 2 1017 108 115 ASP HB2 H 3.114 . 2 1018 109 116 ILE N N 118.214 . 1 1019 109 116 ILE H H 7.871 . 1 1020 109 116 ILE CA C 62.292 . 1 1021 109 116 ILE HA H 4.048 . 1 1022 109 116 ILE CB C 38.104 . 1 1023 109 116 ILE HB H 1.877 . 1 1024 109 116 ILE CG1 C 27.800 . 1 1025 109 116 ILE HG13 H 1.405 . 1 1026 109 116 ILE HG12 H 1.171 . 1 1027 109 116 ILE CD1 C 13.350 . 1 1028 109 116 ILE HD1 H 0.853 . 1 1029 109 116 ILE CG2 C 17.540 . 1 1030 109 116 ILE HG2 H 0.805 . 1 1031 110 117 HIS CA C 57.530 . 1 1032 110 117 HIS HA H 4.643 . 1 1033 110 117 HIS CB C 30.196 . 1 1034 110 117 HIS HB3 H 3.092 . 2 1035 110 117 HIS HB2 H 2.688 . 2 1036 110 117 HIS HD2 H 6.263 . 1 1037 111 118 ILE N N 120.902 . 1 1038 111 118 ILE H H 8.167 . 1 1039 111 118 ILE CA C 64.273 . 1 1040 111 118 ILE HA H 3.848 . 1 1041 111 118 ILE CB C 37.826 . 1 1042 111 118 ILE HB H 1.921 . 1 1043 111 118 ILE CG1 C 28.970 . 1 1044 111 118 ILE HG13 H 1.069 . 2 1045 111 118 ILE HG12 H 1.714 . 1 1046 111 118 ILE CD1 C 13.580 . 1 1047 111 118 ILE HD1 H 0.833 . 1 1048 111 118 ILE CG2 C 18.710 . 1 1049 111 118 ILE HG2 H 0.952 . 1 1050 112 119 ASP N N 120.090 . 1 1051 112 119 ASP H H 8.419 . 1 1052 112 119 ASP CA C 57.587 . 1 1053 112 119 ASP HA H 4.304 . 1 1054 112 119 ASP CB C 40.800 . 1 1055 112 119 ASP HB3 H 2.676 . 2 1056 113 120 ASP N N 118.540 . 1 1057 113 120 ASP H H 7.896 . 1 1058 113 120 ASP CA C 57.600 . 1 1059 113 120 ASP HA H 4.420 . 1 1060 113 120 ASP CB C 40.835 . 1 1061 113 120 ASP HB3 H 2.805 . 2 1062 113 120 ASP HB2 H 2.676 . 2 1063 114 121 MET N N 119.648 . 1 1064 114 121 MET H H 7.905 . 1 1065 114 121 MET CA C 59.037 . 1 1066 114 121 MET HA H 4.073 . 1 1067 114 121 MET CB C 32.970 . 1 1068 114 121 MET HB3 H 2.221 . 2 1069 114 121 MET HB2 H 2.088 . 2 1070 114 121 MET CG C 31.559 . 1 1071 114 121 MET HG3 H 2.444 . 2 1072 114 121 MET HG2 H 2.645 . 2 1073 114 121 MET CE C 17.548 . 1 1074 114 121 MET HE H 1.945 . 1 1075 114 121 MET C C 178.421 . 1 1076 115 122 ILE N N 117.863 . 1 1077 115 122 ILE H H 8.258 . 1 1078 115 122 ILE CA C 64.839 . 1 1079 115 122 ILE HA H 3.580 . 1 1080 115 122 ILE CB C 37.434 . 1 1081 115 122 ILE HB H 2.018 . 1 1082 115 122 ILE CG1 C 29.200 . 1 1083 115 122 ILE HG13 H 1.663 . 1 1084 115 122 ILE HG12 H 1.063 . 1 1085 115 122 ILE CD1 C 13.358 . 1 1086 115 122 ILE HD1 H 0.773 . 1 1087 115 122 ILE CG2 C 17.078 . 1 1088 115 122 ILE HG2 H 0.832 . 1 1089 115 122 ILE C C 177.311 . 1 1090 116 123 LYS N N 118.169 . 1 1091 116 123 LYS H H 7.736 . 1 1092 116 123 LYS CA C 59.071 . 1 1093 116 123 LYS HA H 4.117 . 1 1094 116 123 LYS CB C 32.077 . 1 1095 116 123 LYS HB3 H 1.937 . 2 1096 116 123 LYS CG C 25.710 . 1 1097 116 123 LYS HG3 H 1.520 . 2 1098 116 123 LYS HG2 H 1.650 . 2 1099 116 123 LYS CD C 29.285 . 1 1100 116 123 LYS HD2 H 1.663 . 2 1101 116 123 LYS CE C 42.476 . 1 1102 116 123 LYS HE2 H 3.029 . 2 1103 116 123 LYS C C 178.554 . 1 1104 117 124 GLU N N 115.900 . 1 1105 117 124 GLU H H 7.507 . 1 1106 117 124 GLU CA C 57.873 . 1 1107 117 124 GLU HA H 4.158 . 1 1108 117 124 GLU CB C 30.169 . 1 1109 117 124 GLU HB3 H 2.127 . 2 1110 117 124 GLU CG C 35.805 . 1 1111 117 124 GLU HG3 H 2.341 . 2 1112 117 124 GLU HG2 H 2.287 . 2 1113 117 124 GLU C C 177.648 . 1 1114 118 125 ILE N N 114.842 . 1 1115 118 125 ILE H H 7.529 . 1 1116 118 125 ILE CA C 61.670 . 1 1117 118 125 ILE HA H 4.106 . 1 1118 118 125 ILE CB C 39.921 . 1 1119 118 125 ILE HB H 1.837 . 1 1120 118 125 ILE CG1 C 27.809 . 1 1121 118 125 ILE HG13 H 1.156 . 1 1122 118 125 ILE HG12 H 1.668 . 1 1123 118 125 ILE CD1 C 14.288 . 1 1124 118 125 ILE HD1 H 0.754 . 1 1125 118 125 ILE CG2 C 19.418 . 1 1126 118 125 ILE HG2 H 0.917 . 1 1127 118 125 ILE C C 176.625 . 1 1128 119 126 ASP N N 120.453 . 1 1129 119 126 ASP H H 8.176 . 1 1130 119 126 ASP CA C 54.422 . 1 1131 119 126 ASP HA H 4.422 . 1 1132 119 126 ASP CB C 40.569 . 1 1133 119 126 ASP HB3 H 2.898 . 2 1134 119 126 ASP HB2 H 2.497 . 2 1135 119 126 ASP C C 176.563 . 1 1136 120 127 GLN N N 126.064 . 1 1137 120 127 GLN H H 8.629 . 1 1138 120 127 GLN CA C 57.357 . 1 1139 120 127 GLN HA H 4.334 . 1 1140 120 127 GLN CB C 30.139 . 1 1141 120 127 GLN HB3 H 2.294 . 2 1142 120 127 GLN HB2 H 2.086 . 2 1143 120 127 GLN CG C 34.097 . 1 1144 120 127 GLN HG3 H 2.574 . 2 1145 120 127 GLN HG2 H 2.494 . 2 1146 120 127 GLN NE2 N 111.940 . 1 1147 120 127 GLN HE21 H 7.497 . 2 1148 120 127 GLN HE22 H 6.725 . 2 1149 120 127 GLN C C 176.962 . 1 1150 121 128 ASP N N 115.968 . 1 1151 121 128 ASP H H 8.159 . 1 1152 121 128 ASP CA C 52.997 . 1 1153 121 128 ASP HA H 4.698 . 1 1154 121 128 ASP CB C 39.732 . 1 1155 121 128 ASP HB3 H 2.568 . 2 1156 121 128 ASP HB2 H 3.083 . 2 1157 121 128 ASP C C 176.479 . 1 1158 122 129 ASN N N 114.410 . 1 1159 122 129 ASN H H 7.733 . 1 1160 122 129 ASN CA C 55.114 . 1 1161 122 129 ASN HA H 4.418 . 1 1162 122 129 ASN CB C 37.778 . 1 1163 122 129 ASN HB3 H 3.079 . 2 1164 122 129 ASN HB2 H 2.703 . 2 1165 122 129 ASN ND2 N 112.520 . 1 1166 122 129 ASN HD21 H 6.705 . 2 1167 122 129 ASN HD22 H 7.456 . 2 1168 122 129 ASN C C 174.673 . 1 1169 123 130 ASP N N 117.898 . 1 1170 123 130 ASP H H 8.451 . 1 1171 123 130 ASP CA C 53.412 . 1 1172 123 130 ASP HA H 4.650 . 1 1173 123 130 ASP CB C 40.783 . 1 1174 123 130 ASP HB3 H 2.919 . 2 1175 123 130 ASP HB2 H 2.458 . 2 1176 123 130 ASP C C 178.261 . 1 1177 124 131 GLY N N 112.625 . 1 1178 124 131 GLY H H 10.218 . 1 1179 124 131 GLY CA C 45.970 . 1 1180 124 131 GLY HA3 H 4.039 . 2 1181 124 131 GLY HA2 H 3.457 . 2 1182 124 131 GLY C C 172.738 . 1 1183 125 132 GLN N N 115.294 . 1 1184 125 132 GLN H H 8.012 . 1 1185 125 132 GLN CA C 52.978 . 1 1186 125 132 GLN HA H 4.857 . 1 1187 125 132 GLN CB C 31.768 . 1 1188 125 132 GLN HB3 H 1.879 . 2 1189 125 132 GLN HB2 H 1.818 . 2 1190 125 132 GLN CG C 32.930 . 1 1191 125 132 GLN HG3 H 2.033 . 2 1192 125 132 GLN HG2 H 1.913 . 2 1193 125 132 GLN NE2 N 107.600 . 1 1194 125 132 GLN HE21 H 6.316 . 2 1195 125 132 GLN HE22 H 5.778 . 2 1196 125 132 GLN C C 174.517 . 1 1197 126 133 ILE N N 124.406 . 1 1198 126 133 ILE H H 9.183 . 1 1199 126 133 ILE CA C 59.447 . 1 1200 126 133 ILE HA H 5.261 . 1 1201 126 133 ILE CB C 39.677 . 1 1202 126 133 ILE HB H 2.104 . 1 1203 126 133 ILE CG1 C 27.108 . 1 1204 126 133 ILE HG13 H 1.391 . 2 1205 126 133 ILE HG12 H 1.014 . 2 1206 126 133 ILE CD1 C 13.363 . 1 1207 126 133 ILE HD1 H 0.746 . 1 1208 126 133 ILE CG2 C 18.718 . 1 1209 126 133 ILE HG2 H 1.210 . 1 1210 126 133 ILE C C 175.923 . 1 1211 127 134 ASP N N 129.128 . 1 1212 127 134 ASP H H 9.430 . 1 1213 127 134 ASP CA C 52.255 . 1 1214 127 134 ASP HA H 5.259 . 1 1215 127 134 ASP CB C 41.816 . 1 1216 127 134 ASP HB3 H 3.177 . 2 1217 127 134 ASP HB2 H 2.982 . 2 1218 127 134 ASP C C 176.036 . 1 1219 128 135 TYR N N 118.511 . 1 1220 128 135 TYR H H 8.533 . 1 1221 128 135 TYR CA C 62.378 . 1 1222 128 135 TYR HA H 3.476 . 1 1223 128 135 TYR CB C 37.984 . 1 1224 128 135 TYR HB3 H 2.451 . 2 1225 128 135 TYR HB2 H 2.097 . 2 1226 128 135 TYR HD1 H 6.434 . 3 1227 128 135 TYR C C 177.250 . 1 1228 129 136 GLY N N 106.159 . 1 1229 129 136 GLY H H 8.241 . 1 1230 129 136 GLY CA C 46.906 . 1 1231 129 136 GLY HA3 H 3.643 . 2 1232 129 136 GLY HA2 H 3.955 . 2 1233 129 136 GLY C C 178.121 . 1 1234 130 137 GLU N N 123.874 . 1 1235 130 137 GLU H H 8.629 . 1 1236 130 137 GLU CA C 58.417 . 1 1237 130 137 GLU HA H 4.091 . 1 1238 130 137 GLU CB C 29.996 . 1 1239 130 137 GLU HB3 H 2.616 . 2 1240 130 137 GLU HB2 H 2.061 . 2 1241 130 137 GLU CG C 37.130 . 1 1242 130 137 GLU HG3 H 2.349 . 2 1243 130 137 GLU HG2 H 2.924 . 2 1244 130 137 GLU C C 179.452 . 1 1245 131 138 PHE N N 122.611 . 1 1246 131 138 PHE H H 8.775 . 1 1247 131 138 PHE CA C 61.335 . 1 1248 131 138 PHE HA H 3.928 . 1 1249 131 138 PHE CB C 40.321 . 1 1250 131 138 PHE HB3 H 3.338 . 2 1251 131 138 PHE HB2 H 3.181 . 2 1252 131 138 PHE HD1 H 6.966 . 3 1253 131 138 PHE HE1 H 7.047 . 3 1254 131 138 PHE C C 176.717 . 1 1255 132 139 ALA N N 121.290 . 1 1256 132 139 ALA H H 8.964 . 1 1257 132 139 ALA CA C 55.206 . 1 1258 132 139 ALA HA H 3.686 . 1 1259 132 139 ALA CB C 17.778 . 1 1260 132 139 ALA HB H 1.163 . 1 1261 132 139 ALA C C 179.886 . 1 1262 133 140 ALA N N 118.560 . 1 1263 133 140 ALA H H 7.686 . 1 1264 133 140 ALA CA C 54.889 . 1 1265 133 140 ALA HA H 4.021 . 1 1266 133 140 ALA CB C 18.155 . 1 1267 133 140 ALA HB H 1.476 . 1 1268 133 140 ALA C C 180.398 . 1 1269 134 141 MET N N 117.863 . 1 1270 134 141 MET H H 7.485 . 1 1271 134 141 MET CA C 57.800 . 1 1272 134 141 MET HA H 4.049 . 1 1273 134 141 MET CB C 31.760 . 1 1274 134 141 MET HB3 H 2.166 . 2 1275 134 141 MET HB2 H 2.014 . 2 1276 134 141 MET CG C 31.770 . 1 1277 134 141 MET HG3 H 2.341 . 2 1278 134 141 MET HG2 H 2.428 . 2 1279 134 141 MET CE C 17.080 . 1 1280 134 141 MET HE H 1.648 . 1 1281 134 141 MET C C 177.932 . 1 1282 135 142 MET CE C 17.100 . 1 1283 135 142 MET HE H 1.841 . 1 1284 136 143 ARG CA C 57.170 . 1 1285 136 143 ARG HA H 4.232 . 1 1286 136 143 ARG CB C 30.600 . 1 1287 136 143 ARG HB3 H 1.822 . 2 1288 136 143 ARG HB2 H 1.912 . 2 1289 136 143 ARG CG C 27.100 . 1 1290 136 143 ARG HG2 H 1.602 . 2 1291 136 143 ARG HD2 H 3.187 . 2 1292 137 144 LYS H H 7.724 . 1 1293 137 144 LYS CA C 55.700 . 1 1294 137 144 LYS HA H 4.200 . 1 1295 137 144 LYS CB C 32.760 . 1 1296 137 144 LYS HB3 H 1.880 . 2 1297 137 144 LYS CG C 24.700 . 1 1298 137 144 LYS HG3 H 1.463 . 2 1299 137 144 LYS HE2 H 2.989 . 2 1300 139 146 LYS N N 120.311 . 1 1301 139 146 LYS H H 7.610 . 1 1302 139 146 LYS CA C 57.250 . 1 1303 139 146 LYS CB C 32.377 . 1 1304 140 147 GLY N N 109.595 . 1 1305 140 147 GLY H H 8.222 . 1 1306 140 147 GLY CA C 45.387 . 1 1307 140 147 GLY HA3 H 3.860 . 2 1308 140 147 GLY HA2 H 4.038 . 2 1309 141 148 ASN N N 124.090 . 1 1310 141 148 ASN H H 7.838 . 1 1311 141 148 ASN CA C 55.067 . 1 1312 141 148 ASN HA H 4.565 . 1 1313 141 148 ASN CB C 41.393 . 1 1314 141 148 ASN HB3 H 2.696 . 2 1315 141 148 ASN HB2 H 2.801 . 2 1316 142 149 GLY N N 113.845 . 1 1317 142 149 GLY H H 8.286 . 1 1318 142 149 GLY CA C 45.547 . 1 1319 142 149 GLY HA3 H 3.951 . 2 1320 142 149 GLY C C 175.084 . 1 1321 143 150 GLY N N 108.613 . 1 1322 143 150 GLY H H 8.380 . 1 1323 143 150 GLY CA C 45.638 . 1 1324 143 150 GLY HA3 H 3.983 . 2 1325 143 150 GLY C C 174.319 . 1 1326 144 151 ILE N N 119.158 . 1 1327 144 151 ILE H H 7.959 . 1 1328 144 151 ILE CA C 61.362 . 1 1329 144 151 ILE HA H 4.178 . 1 1330 144 151 ILE CB C 38.560 . 1 1331 144 151 ILE HB H 1.903 . 1 1332 144 151 ILE CG1 C 27.338 . 1 1333 144 151 ILE HG13 H 1.193 . 1 1334 144 151 ILE HG12 H 1.481 . 1 1335 144 151 ILE CD1 C 13.353 . 1 1336 144 151 ILE HD1 H 0.847 . 1 1337 144 151 ILE CG2 C 17.306 . 1 1338 144 151 ILE HG2 H 0.916 . 1 1339 144 151 ILE C C 176.808 . 1 1340 145 152 GLY N N 111.826 . 1 1341 145 152 GLY H H 8.468 . 1 1342 145 152 GLY CA C 45.442 . 1 1343 145 152 GLY HA3 H 3.957 . 2 1344 145 152 GLY C C 173.882 . 1 1345 146 153 ARG N N 120.752 . 1 1346 146 153 ARG H H 8.062 . 1 1347 146 153 ARG CA C 56.148 . 1 1348 146 153 ARG HA H 4.357 . 1 1349 146 153 ARG CB C 30.539 . 1 1350 146 153 ARG HB3 H 1.873 . 2 1351 146 153 ARG HB2 H 1.740 . 2 1352 146 153 ARG CG C 26.605 . 1 1353 146 153 ARG HG2 H 1.621 . 2 1354 146 153 ARG CD C 45.418 . 1 1355 146 153 ARG HD2 H 3.191 . 2 1356 147 154 ARG N N 127.518 . 1 1357 147 154 ARG H H 7.975 . 1 1358 147 154 ARG CA C 57.587 . 1 1359 147 154 ARG HA H 4.431 . 1 1360 147 154 ARG CB C 31.070 . 1 1361 147 154 ARG HB3 H 1.883 . 2 1362 147 154 ARG HB2 H 1.747 . 2 1363 147 154 ARG CG C 26.500 . 1 1364 147 154 ARG HG2 H 1.600 . 2 1365 147 154 ARG CD C 43.420 . 1 1366 147 154 ARG HD2 H 3.181 . 2 1367 148 155 THR N N 120.504 . 1 1368 148 155 THR H H 7.677 . 1 1369 148 155 THR CA C 63.234 . 1 1370 148 155 THR CB C 70.695 . 1 1371 150 157 ARG CA C 59.502 . 1 1372 150 157 ARG HA H 4.287 . 1 1373 150 157 ARG CB C 32.200 . 1 1374 150 157 ARG HB3 H 2.067 . 2 1375 150 157 ARG HB2 H 2.010 . 2 1376 150 157 ARG CG C 24.070 . 1 1377 150 157 ARG HG2 H 1.554 . 2 1378 150 157 ARG CD C 42.480 . 1 1379 157 164 ASP N N 121.497 . 1 1380 157 164 ASP H H 8.242 . 1 1381 157 164 ASP CA C 54.132 . 1 1382 157 164 ASP CB C 41.500 . 1 1383 158 165 ALA N N 129.185 . 1 1384 158 165 ALA H H 7.719 . 1 1385 158 165 ALA CA C 53.987 . 1 1386 158 165 ALA CB C 20.504 . 1 1387 161 168 LEU N N 122.284 . 1 1388 161 168 LEU H H 8.260 . 1 1389 161 168 LEU CA C 55.351 . 1 1390 161 168 LEU CB C 42.490 . 1 1391 161 168 LEU CD1 C 25.200 . 1 1392 161 168 LEU HD1 H 0.945 . 2 1393 162 169 VAL N N 119.805 . 1 1394 162 169 VAL H H 8.033 . 1 1395 162 169 VAL CA C 62.070 . 1 1396 162 169 VAL CB C 33.001 . 1 1397 163 170 ASP N N 124.151 . 1 1398 163 170 ASP H H 8.302 . 1 1399 163 170 ASP CA C 54.410 . 1 1400 163 170 ASP CB C 41.193 . 1 1401 166 173 SER N N 121.233 . 1 1402 166 173 SER H H 7.932 . 1 1403 166 173 SER CA C 60.252 . 1 1404 166 173 SER CB C 64.844 . 1 1405 167 174 ASN N N 125.774 . 1 1406 167 174 ASN H H 8.071 . 1 1407 167 174 ASN CA C 54.831 . 1 1408 167 174 ASN CB C 40.609 . 1 1409 169 176 VAL N N 120.747 . 1 1410 169 176 VAL H H 8.226 . 1 1411 169 176 VAL CA C 62.604 . 1 1412 169 176 VAL CB C 32.490 . 1 1413 170 177 ILE N N 126.378 . 1 1414 170 177 ILE H H 8.304 . 1 1415 170 177 ILE CA C 61.150 . 1 1416 170 177 ILE CB C 38.622 . 1 1417 171 178 GLU N N 128.372 . 1 1418 171 178 GLU H H 8.222 . 1 1419 171 178 GLU CA C 57.484 . 1 1420 171 178 GLU CB C 31.042 . 1 1421 172 179 GLY N N 116.577 . 1 1422 172 179 GLY H H 7.945 . 1 1423 172 179 GLY CA C 46.408 . 1 1424 173 180 TYR N N 119.932 . 1 1425 173 180 TYR H H 7.866 . 1 1426 173 180 TYR CB C 38.626 . 1 1427 175 182 LYS N N 122.875 . 1 1428 175 182 LYS H H 7.918 . 1 1429 175 182 LYS CA C 56.235 . 1 stop_ save_