data_17725 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; KSR1(1-170) ; _BMRB_accession_number 17725 _BMRB_flat_file_name bmr17725.str _Entry_type original _Submission_date 2011-06-21 _Accession_date 2011-06-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Full-length KSR1 CA1-CA1a domain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Koveal Dorothy . . 2 Page Rebecca . . 3 Peti Wolfgang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 503 "13C chemical shifts" 649 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17045 'KSR1 CA1-CA1a (25-170)' 17724 'KSR1 CA1-CA1a domain (bound to SDS micelles)' 18740 'LMPG micelle-bound CC-SAM' stop_ _Original_release_date 2013-02-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A CC-SAM, for coiled coil-sterile alpha motif, domain targets the scaffold KSR-1 to specific sites in the plasma membrane' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23250398 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Koveal Dorothy . . 2 Schuh-Nuhfer Natasha . . 3 Ritt Daniel . . 4 Page Rebecca . . 5 Morrison Deborah K. . 6 Peti Wolfgang . . stop_ _Journal_abbreviation 'Sci. Signal' _Journal_volume 5 _Journal_issue 255 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first ra94 _Page_last ra94 _Year 2012 _Details . loop_ _Keyword CA1-CA1a CC-SAM KSR SAM stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'KSR1 CA1-CA1a domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KSR1 CA1-CA1a domain' $KSR1_CA1-CA1a stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_KSR1_CA1-CA1a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KSR1_CA1-CA1a _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; GHMDRAALRAAAMGEKKEGG GGGAAADGGAGAAVSRALQQ CGQLQKLIDISIGSLRGLRT KCSVSNDLTQQEIRTLEAKL VKYICKQQQSKLSVTPSDRT AELNSYPRFSDWLYIFNVRP EVVQEIPQELTLDALLEMDE AKAKEMLRRWGASTEECSRL QQALTCLRKVTG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 HIS 3 1 MET 4 2 ASP 5 3 ARG 6 4 ALA 7 5 ALA 8 6 LEU 9 7 ARG 10 8 ALA 11 9 ALA 12 10 ALA 13 11 MET 14 12 GLY 15 13 GLU 16 14 LYS 17 15 LYS 18 16 GLU 19 17 GLY 20 18 GLY 21 19 GLY 22 20 GLY 23 21 GLY 24 22 ALA 25 23 ALA 26 24 ALA 27 25 ASP 28 26 GLY 29 27 GLY 30 28 ALA 31 29 GLY 32 30 ALA 33 31 ALA 34 32 VAL 35 33 SER 36 34 ARG 37 35 ALA 38 36 LEU 39 37 GLN 40 38 GLN 41 39 CYS 42 40 GLY 43 41 GLN 44 42 LEU 45 43 GLN 46 44 LYS 47 45 LEU 48 46 ILE 49 47 ASP 50 48 ILE 51 49 SER 52 50 ILE 53 51 GLY 54 52 SER 55 53 LEU 56 54 ARG 57 55 GLY 58 56 LEU 59 57 ARG 60 58 THR 61 59 LYS 62 60 CYS 63 61 SER 64 62 VAL 65 63 SER 66 64 ASN 67 65 ASP 68 66 LEU 69 67 THR 70 68 GLN 71 69 GLN 72 70 GLU 73 71 ILE 74 72 ARG 75 73 THR 76 74 LEU 77 75 GLU 78 76 ALA 79 77 LYS 80 78 LEU 81 79 VAL 82 80 LYS 83 81 TYR 84 82 ILE 85 83 CYS 86 84 LYS 87 85 GLN 88 86 GLN 89 87 GLN 90 88 SER 91 89 LYS 92 90 LEU 93 91 SER 94 92 VAL 95 93 THR 96 94 PRO 97 95 SER 98 96 ASP 99 97 ARG 100 98 THR 101 99 ALA 102 100 GLU 103 101 LEU 104 102 ASN 105 103 SER 106 104 TYR 107 105 PRO 108 106 ARG 109 107 PHE 110 108 SER 111 109 ASP 112 110 TRP 113 111 LEU 114 112 TYR 115 113 ILE 116 114 PHE 117 115 ASN 118 116 VAL 119 117 ARG 120 118 PRO 121 119 GLU 122 120 VAL 123 121 VAL 124 122 GLN 125 123 GLU 126 124 ILE 127 125 PRO 128 126 GLN 129 127 GLU 130 128 LEU 131 129 THR 132 130 LEU 133 131 ASP 134 132 ALA 135 133 LEU 136 134 LEU 137 135 GLU 138 136 MET 139 137 ASP 140 138 GLU 141 139 ALA 142 140 LYS 143 141 ALA 144 142 LYS 145 143 GLU 146 144 MET 147 145 LEU 148 146 ARG 149 147 ARG 150 148 TRP 151 149 GLY 152 150 ALA 153 151 SER 154 152 THR 155 153 GLU 156 154 GLU 157 155 CYS 158 156 SER 159 157 ARG 160 158 LEU 161 159 GLN 162 160 GLN 163 161 ALA 164 162 LEU 165 163 THR 166 164 CYS 167 165 LEU 168 166 ARG 169 167 LYS 170 168 VAL 171 169 THR 172 170 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 BMRB 17045 KSR1_CA1 84.88 149 100.00 100.00 1.41e-100 BMRB 17724 KSR1 84.88 149 100.00 100.00 1.41e-100 BMRB 18740 KSR1_CC-SAM 84.88 149 100.00 100.00 1.41e-100 PDB 2LPE "Solution Nmr Structure Of The Ksr1 Ca1-Ca1a Domain" 84.88 149 100.00 100.00 1.41e-100 EMBL CAA57288 "hb [Mus musculus]" 70.93 426 100.00 100.00 2.66e-80 GB AAC52382 "protein kinase related to Raf protein kinases; Method: conceptual translation supplied by author [Mus musculus]" 98.84 873 100.00 100.00 1.45e-110 GB AAI68386 "Kinase suppressor of ras 1 [synthetic construct]" 98.84 873 100.00 100.00 1.45e-110 GB ABK42251 "Ksr1 [synthetic construct]" 98.84 873 100.00 100.00 1.45e-110 REF NP_038599 "kinase suppressor of Ras 1 [Mus musculus]" 98.84 873 100.00 100.00 1.45e-110 REF XP_006532397 "PREDICTED: kinase suppressor of Ras 1 isoform X4 [Mus musculus]" 98.84 887 100.00 100.00 1.26e-110 REF XP_006532398 "PREDICTED: kinase suppressor of Ras 1 isoform X5 [Mus musculus]" 98.84 863 100.00 100.00 1.22e-110 REF XP_006532399 "PREDICTED: kinase suppressor of Ras 1 isoform X6 [Mus musculus]" 98.84 862 100.00 100.00 9.69e-111 REF XP_011247072 "PREDICTED: kinase suppressor of Ras 1 isoform X1 [Mus musculus]" 98.84 914 100.00 100.00 3.78e-110 SP Q61097 "RecName: Full=Kinase suppressor of Ras 1; Short=mKSR1; AltName: Full=Protein Hb" 98.84 873 100.00 100.00 1.45e-110 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $KSR1_CA1-CA1a Mouse 10090 Eukaryota Metazoa Mus musculus 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 $KSR1_CA1-CA1a 'recombinant technology' . Escherichia coli . pRP1B 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 $KSR1_CA1-CA1a 1.2 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KSR1_CA1-CA1a 2 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Cara _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D H(CCO)NH' '3D HBHA(CO)NH' '3D HNCO' '3D HCACO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'KSR1 CA1-CA1a domain' _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 2 HIS C C 175.278 0.2 1 2 -1 2 HIS CA C 56.243 0.2 1 3 -1 2 HIS CB C 30.270 0.2 1 4 1 3 MET H H 8.458 0.01 1 5 1 3 MET C C 175.717 0.2 1 6 1 3 MET CA C 55.286 0.2 1 7 1 3 MET CB C 32.373 0.2 1 8 1 3 MET N N 121.615 0.05 1 9 2 4 ASP H H 8.172 0.01 1 10 2 4 ASP HA H 4.467 0.01 1 11 2 4 ASP HB2 H 2.565 0.01 1 12 2 4 ASP HB3 H 2.565 0.01 1 13 2 4 ASP C C 175.926 0.2 1 14 2 4 ASP CA C 54.577 0.2 1 15 2 4 ASP CB C 40.971 0.2 1 16 2 4 ASP N N 121.920 0.05 1 17 3 5 ARG H H 8.123 0.01 1 18 3 5 ARG C C 175.670 0.2 1 19 3 5 ARG CA C 55.826 0.2 1 20 3 5 ARG CB C 30.771 0.2 1 21 3 5 ARG N N 120.643 0.05 1 22 6 8 LEU HA H 4.244 0.01 1 23 6 8 LEU HB2 H 1.492 0.01 1 24 6 8 LEU HB3 H 1.492 0.01 1 25 6 8 LEU C C 176.498 0.2 1 26 6 8 LEU CA C 55.201 0.2 1 27 6 8 LEU CB C 42.486 0.2 1 28 6 8 LEU CG C 27.133 0.2 1 29 6 8 LEU CD1 C 24.404 0.2 2 30 7 9 ARG H H 8.305 0.01 1 31 7 9 ARG C C 175.555 0.2 1 32 7 9 ARG CA C 55.716 0.2 1 33 7 9 ARG N N 122.784 0.05 1 34 8 10 ALA C C 177.181 0.2 1 35 8 10 ALA CA C 52.211 0.2 1 36 8 10 ALA CB C 19.477 0.2 1 37 9 11 ALA H H 8.209 0.01 1 38 9 11 ALA C C 177.573 0.2 1 39 9 11 ALA CA C 52.453 0.2 1 40 9 11 ALA CB C 19.477 0.2 1 41 9 11 ALA N N 123.740 0.05 1 42 10 12 ALA H H 8.010 0.01 1 43 10 12 ALA HA H 4.199 0.01 1 44 10 12 ALA HB H 1.300 0.01 1 45 10 12 ALA C C 177.212 0.2 1 46 10 12 ALA CA C 52.504 0.2 1 47 10 12 ALA CB C 19.155 0.2 1 48 10 12 ALA N N 122.380 0.05 1 49 11 13 MET H H 8.055 0.01 1 50 11 13 MET N N 124.024 0.05 1 51 12 14 GLY HA2 H 3.830 0.01 1 52 12 14 GLY HA3 H 3.830 0.01 1 53 12 14 GLY C C 176.113 0.2 1 54 12 14 GLY CA C 45.257 0.2 1 55 13 15 GLU H H 8.176 0.01 1 56 13 15 GLU HB3 H 1.292 0.01 1 57 13 15 GLU C C 177.034 0.2 1 58 13 15 GLU CA C 56.460 0.2 1 59 13 15 GLU CB C 30.540 0.2 1 60 13 15 GLU CG C 36.154 0.2 1 61 13 15 GLU N N 120.990 0.05 1 62 14 16 LYS H H 8.305 0.01 1 63 14 16 LYS HA H 4.208 0.01 1 64 14 16 LYS HB2 H 1.679 0.01 1 65 14 16 LYS HB3 H 1.679 0.01 1 66 14 16 LYS C C 176.430 0.2 1 67 14 16 LYS CA C 56.253 0.2 1 68 14 16 LYS CB C 32.914 0.2 1 69 14 16 LYS CG C 24.666 0.2 1 70 14 16 LYS CD C 28.982 0.2 1 71 14 16 LYS CE C 42.038 0.2 1 72 14 16 LYS N N 122.795 0.05 1 73 15 17 LYS H H 8.332 0.01 1 74 15 17 LYS HA H 4.233 0.01 1 75 15 17 LYS HB2 H 1.710 0.01 2 76 15 17 LYS HB3 H 1.645 0.01 2 77 15 17 LYS C C 176.552 0.2 1 78 15 17 LYS CA C 56.165 0.2 1 79 15 17 LYS CB C 33.002 0.2 1 80 15 17 LYS CG C 24.598 0.2 1 81 15 17 LYS CD C 29.096 0.2 1 82 15 17 LYS CE C 42.004 0.2 1 83 15 17 LYS N N 123.499 0.05 1 84 16 18 GLU H H 8.481 0.01 1 85 16 18 GLU HA H 4.219 0.01 1 86 16 18 GLU HB2 H 1.963 0.01 2 87 16 18 GLU HB3 H 1.854 0.01 2 88 16 18 GLU C C 177.045 0.2 1 89 16 18 GLU CA C 56.514 0.2 1 90 16 18 GLU CB C 30.204 0.2 1 91 16 18 GLU CG C 36.071 0.2 1 92 16 18 GLU N N 122.584 0.05 1 93 17 19 GLY H H 8.451 0.01 1 94 17 19 GLY C C 174.878 0.2 1 95 17 19 GLY CA C 45.359 0.2 1 96 17 19 GLY N N 110.449 0.05 1 97 18 20 GLY C C 177.109 0.2 1 98 18 20 GLY CA C 45.279 0.2 1 99 19 21 GLY H H 8.182 0.01 1 100 19 21 GLY HA2 H 3.893 0.01 1 101 19 21 GLY HA3 H 3.893 0.01 1 102 19 21 GLY C C 175.113 0.2 1 103 19 21 GLY CA C 45.364 0.2 1 104 19 21 GLY N N 109.336 0.05 1 105 20 22 GLY H H 8.291 0.01 1 106 20 22 GLY HA2 H 3.888 0.01 1 107 20 22 GLY HA3 H 3.888 0.01 1 108 20 22 GLY C C 174.909 0.2 1 109 20 22 GLY CA C 45.279 0.2 1 110 20 22 GLY N N 108.753 0.05 1 111 21 23 GLY H H 8.263 0.01 1 112 21 23 GLY HA2 H 3.857 0.01 1 113 21 23 GLY HA3 H 3.857 0.01 1 114 21 23 GLY C C 174.021 0.2 1 115 21 23 GLY CA C 45.274 0.2 1 116 21 23 GLY N N 108.979 0.05 1 117 22 24 ALA H H 8.157 0.01 1 118 22 24 ALA HA H 4.203 0.01 1 119 22 24 ALA HB H 1.289 0.01 1 120 22 24 ALA C C 177.748 0.2 1 121 22 24 ALA CA C 52.436 0.2 1 122 22 24 ALA CB C 19.226 0.2 1 123 22 24 ALA N N 123.914 0.05 1 124 23 25 ALA H H 8.223 0.01 1 125 23 25 ALA HA H 4.197 0.01 1 126 23 25 ALA HB H 1.292 0.01 1 127 23 25 ALA C C 177.863 0.2 1 128 23 25 ALA CA C 52.521 0.2 1 129 23 25 ALA CB C 19.038 0.2 1 130 23 25 ALA N N 123.268 0.05 1 131 24 26 ALA H H 8.214 0.01 1 132 24 26 ALA HA H 4.201 0.01 1 133 24 26 ALA HB H 1.294 0.01 1 134 24 26 ALA C C 177.717 0.2 1 135 24 26 ALA CA C 52.508 0.2 1 136 24 26 ALA CB C 19.036 0.2 1 137 24 26 ALA N N 123.373 0.05 1 138 25 27 ASP H H 8.138 0.01 1 139 25 27 ASP HA H 4.502 0.01 1 140 25 27 ASP HB2 H 2.628 0.01 1 141 25 27 ASP HB3 H 2.628 0.01 1 142 25 27 ASP C C 177.119 0.2 1 143 25 27 ASP CA C 54.209 0.2 1 144 25 27 ASP CB C 41.214 0.2 1 145 25 27 ASP N N 119.078 0.05 1 146 26 28 GLY H H 8.274 0.01 1 147 26 28 GLY C C 175.105 0.2 1 148 26 28 GLY CA C 45.664 0.2 1 149 26 28 GLY N N 109.477 0.05 1 150 27 29 GLY HA2 H 3.953 0.01 2 151 27 29 GLY HA3 H 3.893 0.01 2 152 27 29 GLY C C 174.797 0.2 1 153 27 29 GLY CA C 45.304 0.2 1 154 28 30 ALA H H 8.284 0.01 1 155 28 30 ALA HA H 4.195 0.01 1 156 28 30 ALA HB H 1.332 0.01 1 157 28 30 ALA C C 179.019 0.2 1 158 28 30 ALA CA C 53.823 0.2 1 159 28 30 ALA CB C 18.895 0.2 1 160 28 30 ALA N N 124.622 0.05 1 161 29 31 GLY H H 8.518 0.01 1 162 29 31 GLY HA2 H 3.842 0.01 1 163 29 31 GLY HA3 H 3.842 0.01 1 164 29 31 GLY C C 175.770 0.2 1 165 29 31 GLY CA C 46.128 0.2 1 166 29 31 GLY N N 107.098 0.05 1 167 30 32 ALA H H 7.994 0.01 1 168 30 32 ALA HA H 4.133 0.01 1 169 30 32 ALA HB H 1.359 0.01 1 170 30 32 ALA C C 179.363 0.2 1 171 30 32 ALA CA C 54.262 0.2 1 172 30 32 ALA CB C 18.548 0.2 1 173 30 32 ALA N N 124.276 0.05 1 174 31 33 ALA H H 8.170 0.01 1 175 31 33 ALA HA H 4.030 0.01 1 176 31 33 ALA HB H 1.469 0.01 1 177 31 33 ALA C C 180.850 0.2 1 178 31 33 ALA CA C 57.008 0.2 1 179 31 33 ALA CB C 18.420 0.2 1 180 31 33 ALA N N 121.927 0.05 1 181 32 34 VAL H H 8.299 0.01 1 182 32 34 VAL HA H 3.571 0.01 1 183 32 34 VAL HB H 2.112 0.01 1 184 32 34 VAL C C 177.154 0.2 1 185 32 34 VAL CA C 66.565 0.2 1 186 32 34 VAL CB C 31.649 0.2 1 187 32 34 VAL CG1 C 24.201 0.2 2 188 32 34 VAL CG2 C 21.572 0.2 2 189 32 34 VAL N N 119.331 0.05 1 190 33 35 SER H H 7.884 0.01 1 191 33 35 SER HA H 3.949 0.01 1 192 33 35 SER HB2 H 3.853 0.01 2 193 33 35 SER C C 177.481 0.2 1 194 33 35 SER CA C 62.203 0.2 1 195 33 35 SER N N 115.105 0.05 1 196 34 36 ARG H H 8.035 0.01 1 197 34 36 ARG HA H 3.997 0.01 1 198 34 36 ARG HB2 H 1.817 0.01 1 199 34 36 ARG HB3 H 1.817 0.01 1 200 34 36 ARG C C 178.571 0.2 1 201 34 36 ARG CA C 59.326 0.2 1 202 34 36 ARG CB C 30.137 0.2 1 203 34 36 ARG CG C 27.463 0.2 1 204 34 36 ARG CD C 43.437 0.2 1 205 34 36 ARG N N 121.834 0.05 1 206 35 37 ALA H H 7.822 0.01 1 207 35 37 ALA HA H 4.067 0.01 1 208 35 37 ALA HB H 1.289 0.01 1 209 35 37 ALA C C 180.246 0.2 1 210 35 37 ALA CA C 55.073 0.2 1 211 35 37 ALA CB C 19.401 0.2 1 212 35 37 ALA N N 122.867 0.05 1 213 36 38 LEU H H 8.720 0.01 1 214 36 38 LEU HA H 3.749 0.01 1 215 36 38 LEU HB2 H 1.844 0.01 1 216 36 38 LEU HB3 H 1.844 0.01 1 217 36 38 LEU C C 180.577 0.2 1 218 36 38 LEU CA C 58.207 0.2 1 219 36 38 LEU CB C 42.161 0.2 1 220 36 38 LEU N N 119.464 0.05 1 221 37 39 GLN H H 8.138 0.01 1 222 37 39 GLN HA H 3.963 0.01 1 223 37 39 GLN HB2 H 2.126 0.01 1 224 37 39 GLN HB3 H 2.126 0.01 1 225 37 39 GLN C C 179.094 0.2 1 226 37 39 GLN CA C 59.226 0.2 1 227 37 39 GLN CB C 28.000 0.2 1 228 37 39 GLN CG C 33.830 0.2 1 229 37 39 GLN N N 121.612 0.05 1 230 38 40 GLN H H 8.097 0.01 1 231 38 40 GLN HA H 3.990 0.01 1 232 38 40 GLN HB2 H 2.218 0.01 2 233 38 40 GLN HB3 H 1.981 0.01 2 234 38 40 GLN C C 179.544 0.2 1 235 38 40 GLN CA C 59.056 0.2 1 236 38 40 GLN CB C 28.095 0.2 1 237 38 40 GLN CG C 33.801 0.2 1 238 38 40 GLN N N 119.963 0.05 1 239 39 41 CYS H H 8.696 0.01 1 240 39 41 CYS C C 177.669 0.2 1 241 39 41 CYS CA C 66.528 0.2 1 242 39 41 CYS CB C 25.888 0.2 1 243 39 41 CYS N N 116.744 0.05 1 244 40 42 GLY H H 8.323 0.01 1 245 40 42 GLY C C 176.432 0.2 1 246 40 42 GLY CA C 46.818 0.2 1 247 40 42 GLY N N 108.137 0.05 1 248 41 43 GLN H H 7.946 0.01 1 249 41 43 GLN HA H 3.971 0.01 1 250 41 43 GLN HB2 H 2.074 0.01 2 251 41 43 GLN HB3 H 1.993 0.01 2 252 41 43 GLN C C 179.744 0.2 1 253 41 43 GLN CA C 59.085 0.2 1 254 41 43 GLN CB C 27.987 0.2 1 255 41 43 GLN CG C 33.786 0.2 1 256 41 43 GLN N N 123.287 0.05 1 257 42 44 LEU H H 7.942 0.01 1 258 42 44 LEU C C 178.313 0.2 1 259 42 44 LEU CA C 57.661 0.2 1 260 42 44 LEU CB C 42.984 0.2 1 261 42 44 LEU CG C 26.060 0.2 1 262 42 44 LEU CD1 C 23.338 0.2 2 263 42 44 LEU CD2 C 21.014 0.2 2 264 42 44 LEU N N 119.755 0.05 1 265 43 45 GLN H H 8.295 0.01 1 266 43 45 GLN HA H 3.669 0.01 1 267 43 45 GLN HB2 H 2.182 0.01 1 268 43 45 GLN HB3 H 2.182 0.01 1 269 43 45 GLN C C 177.114 0.2 1 270 43 45 GLN CA C 57.510 0.2 1 271 43 45 GLN CB C 27.820 0.2 1 272 43 45 GLN CG C 33.697 0.2 1 273 43 45 GLN N N 119.465 0.05 1 274 44 46 LYS H H 7.235 0.01 1 275 44 46 LYS HA H 4.046 0.01 1 276 44 46 LYS HB2 H 1.824 0.01 1 277 44 46 LYS HB3 H 1.824 0.01 1 278 44 46 LYS C C 179.319 0.2 1 279 44 46 LYS CA C 59.526 0.2 1 280 44 46 LYS CB C 32.024 0.2 1 281 44 46 LYS CG C 25.254 0.2 1 282 44 46 LYS CD C 29.069 0.2 1 283 44 46 LYS CE C 42.208 0.2 1 284 44 46 LYS N N 117.180 0.05 1 285 45 47 LEU H H 6.695 0.01 1 286 45 47 LEU C C 180.854 0.2 1 287 45 47 LEU CA C 57.299 0.2 1 288 45 47 LEU CB C 40.418 0.2 1 289 45 47 LEU CG C 29.115 0.2 1 290 45 47 LEU CD1 C 24.684 0.2 2 291 45 47 LEU N N 117.103 0.05 1 292 46 48 ILE H H 8.486 0.01 1 293 46 48 ILE HA H 3.521 0.01 1 294 46 48 ILE HB H 1.931 0.01 1 295 46 48 ILE C C 176.497 0.2 1 296 46 48 ILE CA C 65.888 0.2 1 297 46 48 ILE CB C 38.269 0.2 1 298 46 48 ILE CG1 C 31.958 0.2 1 299 46 48 ILE CG2 C 17.157 0.2 1 300 46 48 ILE CD1 C 14.372 0.2 1 301 46 48 ILE N N 124.756 0.05 1 302 47 49 ASP H H 9.024 0.01 1 303 47 49 ASP HA H 4.262 0.01 1 304 47 49 ASP HB2 H 2.750 0.01 2 305 47 49 ASP HB3 H 2.566 0.01 2 306 47 49 ASP C C 180.797 0.2 1 307 47 49 ASP CA C 57.783 0.2 1 308 47 49 ASP CB C 39.738 0.2 1 309 47 49 ASP N N 120.635 0.05 1 310 48 50 ILE H H 7.618 0.01 1 311 48 50 ILE HA H 3.786 0.01 1 312 48 50 ILE HB H 1.801 0.01 1 313 48 50 ILE C C 179.193 0.2 1 314 48 50 ILE CA C 64.747 0.2 1 315 48 50 ILE CB C 38.857 0.2 1 316 48 50 ILE CG1 C 29.260 0.2 1 317 48 50 ILE CG2 C 17.030 0.2 1 318 48 50 ILE CD1 C 13.510 0.2 1 319 48 50 ILE N N 120.129 0.05 1 320 49 51 SER H H 8.059 0.01 1 321 49 51 SER HA H 4.229 0.01 1 322 49 51 SER HB2 H 3.785 0.01 1 323 49 51 SER HB3 H 3.785 0.01 1 324 49 51 SER C C 176.101 0.2 1 325 49 51 SER CA C 63.924 0.2 1 326 49 51 SER CB C 64.168 0.2 1 327 49 51 SER N N 118.223 0.05 1 328 50 52 ILE H H 9.590 0.01 1 329 50 52 ILE HA H 3.708 0.01 1 330 50 52 ILE HB H 2.000 0.01 1 331 50 52 ILE C C 177.811 0.2 1 332 50 52 ILE CA C 65.633 0.2 1 333 50 52 ILE CB C 36.367 0.2 1 334 50 52 ILE CG1 C 30.974 0.2 1 335 50 52 ILE CG2 C 16.565 0.2 1 336 50 52 ILE CD1 C 13.112 0.2 1 337 50 52 ILE N N 124.860 0.05 1 338 51 53 GLY H H 7.717 0.01 1 339 51 53 GLY HA2 H 3.906 0.01 2 340 51 53 GLY HA3 H 3.728 0.01 2 341 51 53 GLY C C 177.603 0.2 1 342 51 53 GLY CA C 47.490 0.2 1 343 51 53 GLY N N 107.350 0.05 1 344 52 54 SER H H 7.911 0.01 1 345 52 54 SER HA H 4.233 0.01 1 346 52 54 SER HB2 H 4.038 0.01 2 347 52 54 SER HB3 H 3.863 0.01 2 348 52 54 SER C C 176.482 0.2 1 349 52 54 SER CA C 61.513 0.2 1 350 52 54 SER CB C 62.748 0.2 1 351 52 54 SER N N 118.488 0.05 1 352 53 55 LEU H H 8.639 0.01 1 353 53 55 LEU HA H 3.909 0.01 1 354 53 55 LEU HB2 H 2.147 0.01 2 355 53 55 LEU HB3 H 1.543 0.01 2 356 53 55 LEU C C 177.633 0.2 1 357 53 55 LEU CA C 58.163 0.2 1 358 53 55 LEU CB C 42.742 0.2 1 359 53 55 LEU CG C 26.513 0.2 1 360 53 55 LEU CD1 C 24.795 0.2 2 361 53 55 LEU CD2 C 19.420 0.2 2 362 53 55 LEU N N 125.264 0.05 1 363 54 56 ARG H H 8.822 0.01 1 364 54 56 ARG HA H 4.241 0.01 1 365 54 56 ARG HB2 H 1.800 0.01 2 366 54 56 ARG HB3 H 1.731 0.01 2 367 54 56 ARG C C 180.396 0.2 1 368 54 56 ARG CA C 59.585 0.2 1 369 54 56 ARG CB C 30.217 0.2 1 370 54 56 ARG CG C 27.691 0.2 1 371 54 56 ARG CD C 43.396 0.2 1 372 54 56 ARG N N 119.542 0.05 1 373 55 57 GLY H H 7.599 0.01 1 374 55 57 GLY C C 176.120 0.2 1 375 55 57 GLY CA C 47.093 0.2 1 376 55 57 GLY N N 105.916 0.05 1 377 56 58 LEU H H 7.904 0.01 1 378 56 58 LEU HA H 4.050 0.01 1 379 56 58 LEU HB2 H 1.362 0.01 2 380 56 58 LEU HB3 H 1.267 0.01 2 381 56 58 LEU C C 179.421 0.2 1 382 56 58 LEU CA C 57.724 0.2 1 383 56 58 LEU CB C 43.103 0.2 1 384 56 58 LEU CG C 26.748 0.2 1 385 56 58 LEU CD1 C 23.213 0.2 2 386 56 58 LEU N N 121.785 0.05 1 387 57 59 ARG H H 8.443 0.01 1 388 57 59 ARG HA H 3.926 0.01 1 389 57 59 ARG HB2 H 1.807 0.01 1 390 57 59 ARG HB3 H 1.807 0.01 1 391 57 59 ARG C C 178.153 0.2 1 392 57 59 ARG CA C 59.409 0.2 1 393 57 59 ARG CB C 30.969 0.2 1 394 57 59 ARG CG C 28.709 0.2 1 395 57 59 ARG CD C 42.616 0.2 1 396 57 59 ARG N N 116.534 0.05 1 397 58 60 THR H H 7.517 0.01 1 398 58 60 THR HA H 4.274 0.01 1 399 58 60 THR C C 175.275 0.2 1 400 58 60 THR CA C 63.210 0.2 1 401 58 60 THR CB C 70.139 0.2 1 402 58 60 THR CG2 C 21.499 0.2 1 403 58 60 THR N N 109.309 0.05 1 404 59 61 LYS H H 7.522 0.01 1 405 59 61 LYS C C 176.821 0.2 1 406 59 61 LYS CA C 56.880 0.2 1 407 59 61 LYS CB C 33.067 0.2 1 408 59 61 LYS N N 121.590 0.05 1 409 60 62 CYS CA C 57.487 0.2 1 410 60 62 CYS CB C 41.993 0.2 1 411 61 63 SER H H 8.338 0.01 1 412 61 63 SER HA H 4.455 0.01 1 413 61 63 SER HB2 H 3.943 0.01 2 414 61 63 SER HB3 H 3.756 0.01 2 415 61 63 SER C C 174.897 0.2 1 416 61 63 SER CA C 58.376 0.2 1 417 61 63 SER CB C 63.857 0.2 1 418 61 63 SER N N 118.631 0.05 1 419 62 64 VAL H H 8.045 0.01 1 420 62 64 VAL HA H 4.087 0.01 1 421 62 64 VAL HB H 2.077 0.01 1 422 62 64 VAL C C 175.772 0.2 1 423 62 64 VAL CA C 62.419 0.2 1 424 62 64 VAL CB C 32.512 0.2 1 425 62 64 VAL CG1 C 21.218 0.2 2 426 62 64 VAL CG2 C 20.510 0.2 2 427 62 64 VAL N N 120.546 0.05 1 428 63 65 SER H H 8.132 0.01 1 429 63 65 SER C C 174.382 0.2 1 430 63 65 SER CA C 58.215 0.2 1 431 63 65 SER CB C 63.427 0.2 1 432 63 65 SER N N 116.915 0.05 1 433 65 67 ASP HA H 4.317 0.01 1 434 65 67 ASP HB2 H 2.635 0.01 1 435 65 67 ASP HB3 H 2.635 0.01 1 436 65 67 ASP C C 177.910 0.2 1 437 65 67 ASP CA C 56.482 0.2 1 438 65 67 ASP CB C 40.725 0.2 1 439 66 68 LEU H H 8.079 0.01 1 440 66 68 LEU HA H 4.090 0.01 1 441 66 68 LEU HB2 H 1.695 0.01 2 442 66 68 LEU HB3 H 1.555 0.01 2 443 66 68 LEU C C 179.691 0.2 1 444 66 68 LEU CA C 57.837 0.2 1 445 66 68 LEU CB C 41.146 0.2 1 446 66 68 LEU CG C 26.894 0.2 1 447 66 68 LEU CD1 C 24.869 0.2 2 448 66 68 LEU CD2 C 23.712 0.2 2 449 66 68 LEU N N 120.215 0.05 1 450 67 69 THR H H 7.936 0.01 1 451 67 69 THR HA H 4.231 0.01 1 452 67 69 THR HB H 3.902 0.01 1 453 67 69 THR C C 176.338 0.2 1 454 67 69 THR CA C 66.206 0.2 1 455 67 69 THR CB C 68.461 0.2 1 456 67 69 THR CG2 C 22.893 0.2 1 457 67 69 THR N N 116.563 0.05 1 458 68 70 GLN H H 8.185 0.01 1 459 68 70 GLN HA H 3.875 0.01 1 460 68 70 GLN HB2 H 2.067 0.01 1 461 68 70 GLN HB3 H 2.067 0.01 1 462 68 70 GLN C C 178.642 0.2 1 463 68 70 GLN CA C 59.118 0.2 1 464 68 70 GLN CB C 27.907 0.2 1 465 68 70 GLN CG C 34.032 0.2 1 466 68 70 GLN N N 119.660 0.05 1 467 69 71 GLN H H 8.030 0.01 1 468 69 71 GLN HB2 H 2.111 0.01 1 469 69 71 GLN HB3 H 2.111 0.01 1 470 69 71 GLN C C 178.577 0.2 1 471 69 71 GLN CA C 58.869 0.2 1 472 69 71 GLN CB C 28.126 0.2 1 473 69 71 GLN CG C 33.830 0.2 1 474 69 71 GLN N N 119.176 0.05 1 475 70 72 GLU H H 8.039 0.01 1 476 70 72 GLU C C 179.651 0.2 1 477 70 72 GLU CA C 59.453 0.2 1 478 70 72 GLU CB C 29.785 0.2 1 479 70 72 GLU CG C 36.270 0.2 1 480 70 72 GLU N N 121.854 0.05 1 481 71 73 ILE H H 8.254 0.01 1 482 71 73 ILE HA H 3.351 0.01 1 483 71 73 ILE C C 177.161 0.2 1 484 71 73 ILE CA C 66.522 0.2 1 485 71 73 ILE CB C 38.126 0.2 1 486 71 73 ILE CG1 C 26.990 0.2 1 487 71 73 ILE CG2 C 17.229 0.2 1 488 71 73 ILE CD1 C 13.311 0.2 1 489 71 73 ILE N N 120.634 0.05 1 490 72 74 ARG H H 7.929 0.01 1 491 72 74 ARG HA H 4.044 0.01 1 492 72 74 ARG HB2 H 1.878 0.01 2 493 72 74 ARG HB3 H 1.777 0.01 2 494 72 74 ARG C C 180.279 0.2 1 495 72 74 ARG CA C 59.457 0.2 1 496 72 74 ARG CB C 30.027 0.2 1 497 72 74 ARG CG C 27.721 0.2 1 498 72 74 ARG CD C 43.525 0.2 1 499 72 74 ARG N N 118.515 0.05 1 500 73 75 THR H H 8.180 0.01 1 501 73 75 THR HA H 4.205 0.01 1 502 73 75 THR HB H 3.844 0.01 1 503 73 75 THR C C 176.626 0.2 1 504 73 75 THR CA C 66.540 0.2 1 505 73 75 THR CB C 68.694 0.2 1 506 73 75 THR CG2 C 21.847 0.2 1 507 73 75 THR N N 117.246 0.05 1 508 74 76 LEU H H 7.973 0.01 1 509 74 76 LEU HA H 3.988 0.01 1 510 74 76 LEU HB2 H 1.884 0.01 2 511 74 76 LEU HB3 H 1.410 0.01 2 512 74 76 LEU C C 178.962 0.2 1 513 74 76 LEU CA C 58.234 0.2 1 514 74 76 LEU CB C 42.768 0.2 1 515 74 76 LEU CG C 27.271 0.2 1 516 74 76 LEU CD1 C 25.131 0.2 2 517 74 76 LEU N N 124.494 0.05 1 518 75 77 GLU H H 8.803 0.01 1 519 75 77 GLU HA H 3.526 0.01 1 520 75 77 GLU HB2 H 2.058 0.01 1 521 75 77 GLU HB3 H 2.058 0.01 1 522 75 77 GLU C C 177.922 0.2 1 523 75 77 GLU CA C 60.615 0.2 1 524 75 77 GLU CB C 29.244 0.2 1 525 75 77 GLU CG C 37.983 0.2 1 526 75 77 GLU N N 118.949 0.05 1 527 76 78 ALA H H 7.631 0.01 1 528 76 78 ALA HA H 3.997 0.01 1 529 76 78 ALA HB H 1.372 0.01 1 530 76 78 ALA C C 181.031 0.2 1 531 76 78 ALA CA C 55.014 0.2 1 532 76 78 ALA CB C 17.897 0.2 1 533 76 78 ALA N N 118.743 0.05 1 534 77 79 LYS H H 7.694 0.01 1 535 77 79 LYS C C 178.910 0.2 1 536 77 79 LYS CA C 59.475 0.2 1 537 77 79 LYS CB C 32.120 0.2 1 538 77 79 LYS N N 120.524 0.05 1 539 78 80 LEU H H 8.145 0.01 1 540 78 80 LEU HA H 4.324 0.01 1 541 78 80 LEU HB2 H 1.278 0.01 1 542 78 80 LEU HB3 H 1.278 0.01 1 543 78 80 LEU C C 178.755 0.2 1 544 78 80 LEU CA C 58.915 0.2 1 545 78 80 LEU CB C 42.443 0.2 1 546 78 80 LEU CG C 27.322 0.2 1 547 78 80 LEU CD1 C 22.345 0.2 2 548 78 80 LEU CD2 C 21.479 0.2 2 549 78 80 LEU N N 118.847 0.05 1 550 79 81 VAL H H 8.049 0.01 1 551 79 81 VAL HA H 3.536 0.01 1 552 79 81 VAL HB H 2.058 0.01 1 553 79 81 VAL C C 178.314 0.2 1 554 79 81 VAL CA C 67.476 0.2 1 555 79 81 VAL CB C 31.811 0.2 1 556 79 81 VAL CG1 C 24.282 0.2 2 557 79 81 VAL CG2 C 22.167 0.2 2 558 79 81 VAL N N 118.136 0.05 1 559 80 82 LYS H H 7.377 0.01 1 560 80 82 LYS C C 180.023 0.2 1 561 80 82 LYS CA C 60.134 0.2 1 562 80 82 LYS CB C 31.472 0.2 1 563 80 82 LYS CG C 25.131 0.2 1 564 80 82 LYS CD C 29.513 0.2 1 565 80 82 LYS CE C 45.251 0.2 1 566 80 82 LYS N N 120.399 0.05 1 567 81 83 TYR H H 8.184 0.01 1 568 81 83 TYR C C 179.240 0.2 1 569 81 83 TYR CA C 58.893 0.2 1 570 81 83 TYR CB C 37.844 0.2 1 571 81 83 TYR N N 118.813 0.05 1 572 82 84 ILE H H 8.521 0.01 1 573 82 84 ILE HA H 4.185 0.01 1 574 82 84 ILE HB H 2.340 0.01 1 575 82 84 ILE C C 179.281 0.2 1 576 82 84 ILE CA C 64.613 0.2 1 577 82 84 ILE CB C 37.432 0.2 1 578 82 84 ILE CG1 C 28.252 0.2 1 579 82 84 ILE CG2 C 17.694 0.2 1 580 82 84 ILE CD1 C 13.577 0.2 1 581 82 84 ILE N N 118.748 0.05 1 582 83 85 CYS H H 8.533 0.01 1 583 83 85 CYS HA H 4.037 0.01 1 584 83 85 CYS HB2 H 3.853 0.01 1 585 83 85 CYS HB3 H 3.853 0.01 1 586 83 85 CYS C C 177.175 0.2 1 587 83 85 CYS CA C 64.769 0.2 1 588 83 85 CYS CB C 26.648 0.2 1 589 83 85 CYS N N 119.161 0.05 1 590 84 86 LYS H H 8.251 0.01 1 591 84 86 LYS C C 180.156 0.2 1 592 84 86 LYS CA C 59.198 0.2 1 593 84 86 LYS CB C 32.389 0.2 1 594 84 86 LYS N N 120.616 0.05 1 595 85 87 GLN H H 8.216 0.01 1 596 85 87 GLN C C 177.379 0.2 1 597 85 87 GLN CA C 59.616 0.2 1 598 85 87 GLN CB C 29.790 0.2 1 599 85 87 GLN CG C 36.884 0.2 1 600 85 87 GLN N N 122.105 0.05 1 601 86 88 GLN H H 8.061 0.01 1 602 86 88 GLN HA H 4.420 0.01 1 603 86 88 GLN HB2 H 2.893 0.01 1 604 86 88 GLN HB3 H 2.893 0.01 1 605 86 88 GLN C C 177.252 0.2 1 606 86 88 GLN CA C 59.198 0.2 1 607 86 88 GLN CB C 27.699 0.2 1 608 86 88 GLN CG C 29.978 0.2 1 609 86 88 GLN N N 119.710 0.05 1 610 87 89 GLN H H 8.374 0.01 1 611 87 89 GLN HA H 3.566 0.01 1 612 87 89 GLN HB2 H 2.110 0.01 2 613 87 89 GLN C C 177.939 0.2 1 614 87 89 GLN CA C 59.505 0.2 1 615 87 89 GLN CB C 29.134 0.2 1 616 87 89 GLN CG C 33.868 0.2 1 617 87 89 GLN N N 118.479 0.05 1 618 88 90 SER H H 7.874 0.01 1 619 88 90 SER HA H 4.376 0.01 1 620 88 90 SER HB2 H 3.741 0.01 1 621 88 90 SER HB3 H 3.741 0.01 1 622 88 90 SER C C 177.632 0.2 1 623 88 90 SER CA C 62.364 0.2 1 624 88 90 SER CB C 63.472 0.2 1 625 88 90 SER N N 114.669 0.05 1 626 89 91 LYS H H 8.037 0.01 1 627 89 91 LYS HA H 3.716 0.01 1 628 89 91 LYS HB2 H 1.483 0.01 1 629 89 91 LYS HB3 H 1.483 0.01 1 630 89 91 LYS C C 176.821 0.2 1 631 89 91 LYS CA C 60.549 0.2 1 632 89 91 LYS CB C 30.970 0.2 1 633 89 91 LYS N N 122.893 0.05 1 634 90 92 LEU H H 7.912 0.01 1 635 90 92 LEU HA H 4.097 0.01 1 636 90 92 LEU HB2 H 1.609 0.01 2 637 90 92 LEU HB3 H 1.409 0.01 2 638 90 92 LEU C C 178.066 0.2 1 639 90 92 LEU CA C 56.028 0.2 1 640 90 92 LEU CB C 41.118 0.2 1 641 90 92 LEU CG C 26.071 0.2 1 642 90 92 LEU CD1 C 24.205 0.2 2 643 90 92 LEU CD2 C 22.505 0.2 2 644 90 92 LEU N N 114.280 0.05 1 645 91 93 SER H H 7.626 0.01 1 646 91 93 SER HA H 4.211 0.01 1 647 91 93 SER HB2 H 4.052 0.01 2 648 91 93 SER HB3 H 3.992 0.01 2 649 91 93 SER C C 173.613 0.2 1 650 91 93 SER CA C 60.404 0.2 1 651 91 93 SER CB C 63.504 0.2 1 652 91 93 SER N N 114.455 0.05 1 653 92 94 VAL H H 7.526 0.01 1 654 92 94 VAL HA H 4.063 0.01 1 655 92 94 VAL HB H 1.945 0.01 1 656 92 94 VAL C C 175.166 0.2 1 657 92 94 VAL CA C 60.942 0.2 1 658 92 94 VAL CB C 32.979 0.2 1 659 92 94 VAL CG1 C 22.860 0.2 2 660 92 94 VAL CG2 C 22.143 0.2 2 661 92 94 VAL N N 124.699 0.05 1 662 93 95 THR H H 8.835 0.01 1 663 93 95 THR C C 174.418 0.2 1 664 93 95 THR CA C 61.353 0.2 1 665 93 95 THR CB C 69.501 0.2 1 666 93 95 THR N N 125.782 0.05 1 667 94 96 PRO HA H 3.676 0.01 1 668 94 96 PRO C C 179.113 0.2 1 669 94 96 PRO CA C 67.391 0.2 1 670 94 96 PRO CB C 31.867 0.2 1 671 94 96 PRO CG C 27.533 0.2 1 672 94 96 PRO CD C 50.836 0.2 1 673 95 97 SER H H 8.226 0.01 1 674 95 97 SER HA H 4.069 0.01 1 675 95 97 SER HB2 H 3.748 0.01 1 676 95 97 SER HB3 H 3.748 0.01 1 677 95 97 SER C C 174.894 0.2 1 678 95 97 SER CA C 60.786 0.2 1 679 95 97 SER CB C 62.530 0.2 1 680 95 97 SER N N 110.150 0.05 1 681 96 98 ASP H H 7.880 0.01 1 682 96 98 ASP HA H 4.682 0.01 1 683 96 98 ASP HB2 H 2.579 0.01 2 684 96 98 ASP HB3 H 2.484 0.01 2 685 96 98 ASP C C 176.256 0.2 1 686 96 98 ASP CA C 54.191 0.2 1 687 96 98 ASP CB C 42.073 0.2 1 688 96 98 ASP N N 120.013 0.05 1 689 97 99 ARG H H 7.229 0.01 1 690 97 99 ARG HA H 3.732 0.01 1 691 97 99 ARG HB2 H 1.987 0.01 1 692 97 99 ARG HB3 H 1.987 0.01 1 693 97 99 ARG C C 175.566 0.2 1 694 97 99 ARG CA C 58.637 0.2 1 695 97 99 ARG CB C 30.556 0.2 1 696 97 99 ARG CG C 29.018 0.2 1 697 97 99 ARG CD C 44.598 0.2 1 698 97 99 ARG N N 118.056 0.05 1 699 98 100 THR H H 6.214 0.01 1 700 98 100 THR HA H 4.672 0.01 1 701 98 100 THR HB H 4.494 0.01 1 702 98 100 THR C C 174.579 0.2 1 703 98 100 THR CA C 58.801 0.2 1 704 98 100 THR CB C 71.668 0.2 1 705 98 100 THR CG2 C 22.809 0.2 1 706 98 100 THR N N 110.320 0.05 1 707 99 101 ALA H H 8.927 0.01 1 708 99 101 ALA HA H 4.029 0.01 1 709 99 101 ALA HB H 1.343 0.01 1 710 99 101 ALA C C 180.630 0.2 1 711 99 101 ALA CA C 55.436 0.2 1 712 99 101 ALA CB C 17.688 0.2 1 713 99 101 ALA N N 123.818 0.05 1 714 100 102 GLU H H 8.341 0.01 1 715 100 102 GLU HA H 3.841 0.01 1 716 100 102 GLU HB2 H 1.988 0.01 2 717 100 102 GLU HB3 H 1.759 0.01 2 718 100 102 GLU C C 179.562 0.2 1 719 100 102 GLU CA C 59.448 0.2 1 720 100 102 GLU CB C 29.479 0.2 1 721 100 102 GLU CG C 36.321 0.2 1 722 100 102 GLU N N 116.689 0.05 1 723 101 103 LEU H H 7.375 0.01 1 724 101 103 LEU HA H 4.221 0.01 1 725 101 103 LEU HB2 H 1.319 0.01 1 726 101 103 LEU HB3 H 1.319 0.01 1 727 101 103 LEU C C 176.584 0.2 1 728 101 103 LEU CA C 57.923 0.2 1 729 101 103 LEU CB C 42.045 0.2 1 730 101 103 LEU CG C 27.529 0.2 1 731 101 103 LEU CD1 C 23.532 0.2 2 732 101 103 LEU CD2 C 19.323 0.2 2 733 101 103 LEU N N 121.467 0.05 1 734 102 104 ASN H H 8.193 0.01 1 735 102 104 ASN HA H 4.624 0.01 1 736 102 104 ASN HB2 H 2.788 0.01 2 737 102 104 ASN HB3 H 2.610 0.01 2 738 102 104 ASN C C 176.070 0.2 1 739 102 104 ASN CA C 54.135 0.2 1 740 102 104 ASN CB C 38.035 0.2 1 741 102 104 ASN N N 113.094 0.05 1 742 103 105 SER H H 7.337 0.01 1 743 103 105 SER HA H 4.307 0.01 1 744 103 105 SER HB2 H 4.152 0.01 2 745 103 105 SER HB3 H 3.744 0.01 2 746 103 105 SER C C 172.112 0.2 1 747 103 105 SER CA C 59.725 0.2 1 748 103 105 SER CB C 63.377 0.2 1 749 103 105 SER N N 115.201 0.05 1 750 104 106 TYR H H 7.580 0.01 1 751 104 106 TYR C C 175.132 0.2 1 752 104 106 TYR CA C 56.033 0.2 1 753 104 106 TYR CB C 40.906 0.2 1 754 104 106 TYR N N 119.325 0.05 1 755 105 107 PRO HA H 4.857 0.01 1 756 105 107 PRO HB2 H 2.990 0.01 2 757 105 107 PRO HB3 H 1.934 0.01 2 758 105 107 PRO C C 175.967 0.2 1 759 105 107 PRO CA C 62.090 0.2 1 760 105 107 PRO CB C 34.732 0.2 1 761 105 107 PRO CG C 25.923 0.2 1 762 105 107 PRO CD C 50.539 0.2 1 763 106 108 ARG H H 10.710 0.01 1 764 106 108 ARG HA H 4.423 0.01 1 765 106 108 ARG HB2 H 2.232 0.01 2 766 106 108 ARG HB3 H 1.778 0.01 2 767 106 108 ARG C C 178.246 0.2 1 768 106 108 ARG CA C 56.930 0.2 1 769 106 108 ARG CB C 29.515 0.2 1 770 106 108 ARG CG C 28.283 0.2 1 771 106 108 ARG CD C 43.724 0.2 1 772 106 108 ARG N N 123.403 0.05 1 773 107 109 PHE H H 8.894 0.01 1 774 107 109 PHE HA H 4.429 0.01 1 775 107 109 PHE HB2 H 3.330 0.01 2 776 107 109 PHE HB3 H 3.242 0.01 2 777 107 109 PHE C C 177.610 0.2 1 778 107 109 PHE CA C 59.028 0.2 1 779 107 109 PHE CB C 38.626 0.2 1 780 107 109 PHE N N 127.973 0.05 1 781 108 110 SER H H 8.868 0.01 1 782 108 110 SER HA H 3.780 0.01 1 783 108 110 SER C C 177.305 0.2 1 784 108 110 SER CA C 61.721 0.2 1 785 108 110 SER CB C 61.894 0.2 1 786 108 110 SER N N 110.640 0.05 1 787 109 111 ASP H H 6.746 0.01 1 788 109 111 ASP C C 176.955 0.2 1 789 109 111 ASP CA C 57.942 0.2 1 790 109 111 ASP CB C 40.632 0.2 1 791 109 111 ASP N N 122.369 0.05 1 792 110 112 TRP H H 8.030 0.01 1 793 110 112 TRP HA H 4.065 0.01 1 794 110 112 TRP HB2 H 3.740 0.01 1 795 110 112 TRP HB3 H 3.740 0.01 1 796 110 112 TRP C C 177.102 0.2 1 797 110 112 TRP CA C 62.836 0.2 1 798 110 112 TRP CB C 29.609 0.2 1 799 110 112 TRP N N 121.120 0.05 1 800 111 113 LEU H H 8.686 0.01 1 801 111 113 LEU HA H 3.596 0.01 1 802 111 113 LEU HB2 H 1.708 0.01 2 803 111 113 LEU HB3 H 1.109 0.01 2 804 111 113 LEU C C 178.829 0.2 1 805 111 113 LEU CA C 57.752 0.2 1 806 111 113 LEU CB C 42.407 0.2 1 807 111 113 LEU CG C 26.882 0.2 1 808 111 113 LEU CD1 C 25.685 0.2 2 809 111 113 LEU CD2 C 23.904 0.2 2 810 111 113 LEU N N 115.411 0.05 1 811 112 114 TYR H H 7.492 0.01 1 812 112 114 TYR C C 180.258 0.2 1 813 112 114 TYR CA C 62.115 0.2 1 814 112 114 TYR CB C 38.636 0.2 1 815 112 114 TYR N N 117.461 0.05 1 816 113 115 ILE H H 8.535 0.01 1 817 113 115 ILE HA H 2.812 0.01 1 818 113 115 ILE HB H 1.292 0.01 1 819 113 115 ILE C C 176.688 0.2 1 820 113 115 ILE CA C 66.638 0.2 1 821 113 115 ILE CB C 37.499 0.2 1 822 113 115 ILE CG1 C 29.381 0.2 1 823 113 115 ILE CG2 C 16.764 0.2 1 824 113 115 ILE CD1 C 15.360 0.2 1 825 113 115 ILE N N 123.633 0.05 1 826 114 116 PHE H H 6.896 0.01 1 827 114 116 PHE HA H 3.917 0.01 1 828 114 116 PHE HB2 H 2.785 0.01 2 829 114 116 PHE HB3 H 1.803 0.01 2 830 114 116 PHE C C 173.789 0.2 1 831 114 116 PHE CA C 59.712 0.2 1 832 114 116 PHE CB C 37.732 0.2 1 833 114 116 PHE N N 113.143 0.05 1 834 115 117 ASN H H 7.609 0.01 1 835 115 117 ASN HA H 3.963 0.01 1 836 115 117 ASN HB2 H 3.093 0.01 2 837 115 117 ASN HB3 H 1.964 0.01 2 838 115 117 ASN C C 174.033 0.2 1 839 115 117 ASN CA C 52.776 0.2 1 840 115 117 ASN CB C 37.097 0.2 1 841 115 117 ASN N N 117.781 0.05 1 842 116 118 VAL H H 7.712 0.01 1 843 116 118 VAL HA H 3.698 0.01 1 844 116 118 VAL C C 176.100 0.2 1 845 116 118 VAL CA C 63.136 0.2 1 846 116 118 VAL CB C 31.180 0.2 1 847 116 118 VAL CG1 C 23.553 0.2 2 848 116 118 VAL CG2 C 21.689 0.2 2 849 116 118 VAL N N 119.645 0.05 1 850 117 119 ARG H H 8.136 0.01 1 851 117 119 ARG C C 176.098 0.2 1 852 117 119 ARG CA C 55.739 0.2 1 853 117 119 ARG CB C 29.347 0.2 1 854 117 119 ARG N N 127.793 0.05 1 855 118 120 PRO HA H 4.080 0.01 1 856 118 120 PRO HB2 H 2.282 0.01 2 857 118 120 PRO HB3 H 1.885 0.01 2 858 118 120 PRO C C 178.357 0.2 1 859 118 120 PRO CA C 65.407 0.2 1 860 118 120 PRO CB C 31.798 0.2 1 861 118 120 PRO CG C 27.771 0.2 1 862 118 120 PRO CD C 50.771 0.2 1 863 119 121 GLU H H 9.692 0.01 1 864 119 121 GLU HA H 3.957 0.01 1 865 119 121 GLU HB2 H 1.872 0.01 1 866 119 121 GLU HB3 H 1.872 0.01 1 867 119 121 GLU C C 178.322 0.2 1 868 119 121 GLU CA C 59.737 0.2 1 869 119 121 GLU CB C 28.289 0.2 1 870 119 121 GLU CG C 36.647 0.2 1 871 119 121 GLU N N 116.821 0.05 1 872 120 122 VAL H H 7.371 0.01 1 873 120 122 VAL HA H 3.979 0.01 1 874 120 122 VAL HB H 2.114 0.01 1 875 120 122 VAL C C 177.327 0.2 1 876 120 122 VAL CA C 64.411 0.2 1 877 120 122 VAL CB C 31.422 0.2 1 878 120 122 VAL CG1 C 21.970 0.2 2 879 120 122 VAL CG2 C 20.488 0.2 2 880 120 122 VAL N N 120.789 0.05 1 881 121 123 VAL H H 7.382 0.01 1 882 121 123 VAL HA H 3.109 0.01 1 883 121 123 VAL HB H 1.960 0.01 1 884 121 123 VAL C C 178.651 0.2 1 885 121 123 VAL CA C 66.271 0.2 1 886 121 123 VAL CB C 31.517 0.2 1 887 121 123 VAL CG1 C 22.971 0.2 2 888 121 123 VAL CG2 C 21.477 0.2 2 889 121 123 VAL N N 118.280 0.05 1 890 122 124 GLN H H 7.795 0.01 1 891 122 124 GLN HA H 3.896 0.01 1 892 122 124 GLN HB2 H 1.957 0.01 1 893 122 124 GLN HB3 H 1.957 0.01 1 894 122 124 GLN C C 176.488 0.2 1 895 122 124 GLN CA C 57.505 0.2 1 896 122 124 GLN CB C 28.528 0.2 1 897 122 124 GLN CG C 33.676 0.2 1 898 122 124 GLN N N 114.789 0.05 1 899 123 125 GLU H H 7.281 0.01 1 900 123 125 GLU HA H 4.046 0.01 1 901 123 125 GLU HB2 H 2.268 0.01 2 902 123 125 GLU HB3 H 2.009 0.01 2 903 123 125 GLU C C 176.008 0.2 1 904 123 125 GLU CA C 55.558 0.2 1 905 123 125 GLU CB C 30.243 0.2 1 906 123 125 GLU CG C 35.760 0.2 1 907 123 125 GLU N N 117.059 0.05 1 908 124 126 ILE H H 6.882 0.01 1 909 124 126 ILE C C 174.964 0.2 1 910 124 126 ILE CA C 60.190 0.2 1 911 124 126 ILE CB C 37.732 0.2 1 912 124 126 ILE N N 121.630 0.05 1 913 125 127 PRO HA H 4.197 0.01 1 914 125 127 PRO HB2 H 2.353 0.01 2 915 125 127 PRO HB3 H 1.773 0.01 2 916 125 127 PRO C C 178.173 0.2 1 917 125 127 PRO CA C 63.297 0.2 1 918 125 127 PRO CB C 32.220 0.2 1 919 125 127 PRO CG C 27.853 0.2 1 920 125 127 PRO CD C 50.718 0.2 1 921 126 128 GLN H H 8.672 0.01 1 922 126 128 GLN HA H 3.849 0.01 1 923 126 128 GLN HB2 H 1.950 0.01 1 924 126 128 GLN HB3 H 1.950 0.01 1 925 126 128 GLN C C 176.843 0.2 1 926 126 128 GLN CA C 58.383 0.2 1 927 126 128 GLN CB C 28.520 0.2 1 928 126 128 GLN CG C 33.943 0.2 1 929 126 128 GLN N N 123.364 0.05 1 930 127 129 GLU H H 8.861 0.01 1 931 127 129 GLU HA H 4.071 0.01 1 932 127 129 GLU HB2 H 1.914 0.01 1 933 127 129 GLU HB3 H 1.914 0.01 1 934 127 129 GLU C C 176.784 0.2 1 935 127 129 GLU CA C 56.987 0.2 1 936 127 129 GLU CB C 28.725 0.2 1 937 127 129 GLU CG C 36.023 0.2 1 938 127 129 GLU N N 115.193 0.05 1 939 128 130 LEU H H 7.290 0.01 1 940 128 130 LEU HA H 4.091 0.01 1 941 128 130 LEU HB2 H 1.602 0.01 2 942 128 130 LEU HB3 H 1.295 0.01 2 943 128 130 LEU C C 175.430 0.2 1 944 128 130 LEU CA C 55.598 0.2 1 945 128 130 LEU CB C 42.285 0.2 1 946 128 130 LEU CG C 26.741 0.2 1 947 128 130 LEU CD1 C 24.418 0.2 2 948 128 130 LEU N N 123.228 0.05 1 949 129 131 THR H H 6.972 0.01 1 950 129 131 THR HA H 4.524 0.01 1 951 129 131 THR HB H 4.391 0.01 1 952 129 131 THR C C 174.189 0.2 1 953 129 131 THR CA C 58.652 0.2 1 954 129 131 THR CB C 71.381 0.2 1 955 129 131 THR CG2 C 21.632 0.2 1 956 129 131 THR N N 113.969 0.05 1 957 130 132 LEU H H 8.258 0.01 1 958 130 132 LEU HA H 4.080 0.01 1 959 130 132 LEU HB2 H 2.077 0.01 1 960 130 132 LEU HB3 H 2.077 0.01 1 961 130 132 LEU C C 178.283 0.2 1 962 130 132 LEU CA C 57.412 0.2 1 963 130 132 LEU CB C 41.015 0.2 1 964 130 132 LEU CG C 26.755 0.2 1 965 130 132 LEU CD1 C 24.818 0.2 2 966 130 132 LEU N N 121.922 0.05 1 967 131 133 ASP H H 8.145 0.01 1 968 131 133 ASP HA H 4.054 0.01 1 969 131 133 ASP HB2 H 2.384 0.01 1 970 131 133 ASP HB3 H 2.384 0.01 1 971 131 133 ASP C C 177.706 0.2 1 972 131 133 ASP CA C 57.809 0.2 1 973 131 133 ASP CB C 41.203 0.2 1 974 131 133 ASP N N 116.651 0.05 1 975 132 134 ALA H H 7.625 0.01 1 976 132 134 ALA HA H 3.926 0.01 1 977 132 134 ALA HB H 1.326 0.01 1 978 132 134 ALA C C 180.922 0.2 1 979 132 134 ALA CA C 54.744 0.2 1 980 132 134 ALA CB C 18.387 0.2 1 981 132 134 ALA N N 120.682 0.05 1 982 133 135 LEU H H 7.523 0.01 1 983 133 135 LEU HB2 H 1.306 0.01 1 984 133 135 LEU HB3 H 1.306 0.01 1 985 133 135 LEU C C 178.771 0.2 1 986 133 135 LEU CA C 57.461 0.2 1 987 133 135 LEU CB C 42.270 0.2 1 988 133 135 LEU CG C 26.193 0.2 1 989 133 135 LEU CD1 C 23.803 0.2 2 990 133 135 LEU N N 119.549 0.05 1 991 134 136 LEU H H 8.354 0.01 1 992 134 136 LEU HA H 3.720 0.01 1 993 134 136 LEU HB2 H 1.758 0.01 2 994 134 136 LEU HB3 H 1.368 0.01 2 995 134 136 LEU C C 178.164 0.2 1 996 134 136 LEU CA C 57.554 0.2 1 997 134 136 LEU CB C 42.411 0.2 1 998 134 136 LEU CD1 C 25.795 0.2 2 999 134 136 LEU N N 119.111 0.05 1 1000 135 137 GLU H H 7.334 0.01 1 1001 135 137 GLU HA H 4.022 0.01 1 1002 135 137 GLU HB2 H 1.960 0.01 2 1003 135 137 GLU HB3 H 1.852 0.01 2 1004 135 137 GLU C C 176.832 0.2 1 1005 135 137 GLU CA C 56.675 0.2 1 1006 135 137 GLU CB C 30.094 0.2 1 1007 135 137 GLU CG C 36.121 0.2 1 1008 135 137 GLU N N 115.201 0.05 1 1009 136 138 MET H H 7.029 0.01 1 1010 136 138 MET HA H 3.980 0.01 1 1011 136 138 MET HB2 H 1.421 0.01 1 1012 136 138 MET HB3 H 1.421 0.01 1 1013 136 138 MET C C 176.324 0.2 1 1014 136 138 MET CA C 56.550 0.2 1 1015 136 138 MET CB C 33.726 0.2 1 1016 136 138 MET CG C 32.236 0.2 1 1017 136 138 MET N N 118.900 0.05 1 1018 137 139 ASP H H 8.452 0.01 1 1019 137 139 ASP HA H 4.348 0.01 1 1020 137 139 ASP HB2 H 2.730 0.01 2 1021 137 139 ASP HB3 H 2.498 0.01 2 1022 137 139 ASP C C 176.597 0.2 1 1023 137 139 ASP CA C 54.534 0.2 1 1024 137 139 ASP CB C 42.212 0.2 1 1025 137 139 ASP N N 123.734 0.05 1 1026 138 140 GLU H H 8.743 0.01 1 1027 138 140 GLU HA H 3.779 0.01 1 1028 138 140 GLU HB2 H 1.920 0.01 1 1029 138 140 GLU HB3 H 1.920 0.01 1 1030 138 140 GLU C C 178.510 0.2 1 1031 138 140 GLU CA C 60.265 0.2 1 1032 138 140 GLU CB C 29.796 0.2 1 1033 138 140 GLU CG C 36.818 0.2 1 1034 138 140 GLU N N 123.299 0.05 1 1035 139 141 ALA H H 8.280 0.01 1 1036 139 141 ALA HA H 4.042 0.01 1 1037 139 141 ALA HB H 1.341 0.01 1 1038 139 141 ALA C C 180.845 0.2 1 1039 139 141 ALA CA C 55.087 0.2 1 1040 139 141 ALA CB C 17.963 0.2 1 1041 139 141 ALA N N 121.412 0.05 1 1042 140 142 LYS H H 7.710 0.01 1 1043 140 142 LYS HA H 3.940 0.01 1 1044 140 142 LYS C C 178.910 0.2 1 1045 140 142 LYS CA C 58.348 0.2 1 1046 140 142 LYS CB C 32.103 0.2 1 1047 140 142 LYS CG C 24.865 0.2 1 1048 140 142 LYS CD C 28.849 0.2 1 1049 140 142 LYS CE C 42.196 0.2 1 1050 140 142 LYS N N 120.858 0.05 1 1051 141 143 ALA H H 8.421 0.01 1 1052 141 143 ALA HA H 3.843 0.01 1 1053 141 143 ALA HB H 1.185 0.01 1 1054 141 143 ALA C C 178.831 0.2 1 1055 141 143 ALA CA C 55.358 0.2 1 1056 141 143 ALA CB C 17.693 0.2 1 1057 141 143 ALA N N 122.205 0.05 1 1058 142 144 LYS H H 7.731 0.01 1 1059 142 144 LYS HA H 3.581 0.01 1 1060 142 144 LYS HB2 H 1.781 0.01 1 1061 142 144 LYS HB3 H 1.781 0.01 1 1062 142 144 LYS C C 177.766 0.2 1 1063 142 144 LYS CA C 60.147 0.2 1 1064 142 144 LYS CB C 32.069 0.2 1 1065 142 144 LYS CG C 25.396 0.2 1 1066 142 144 LYS CD C 29.646 0.2 1 1067 142 144 LYS CE C 42.012 0.2 1 1068 142 144 LYS N N 116.959 0.05 1 1069 143 145 GLU H H 7.318 0.01 1 1070 143 145 GLU HA H 3.794 0.01 1 1071 143 145 GLU HB2 H 1.949 0.01 1 1072 143 145 GLU HB3 H 1.949 0.01 1 1073 143 145 GLU C C 178.974 0.2 1 1074 143 145 GLU CA C 58.886 0.2 1 1075 143 145 GLU CB C 29.262 0.2 1 1076 143 145 GLU CG C 35.772 0.2 1 1077 143 145 GLU N N 117.489 0.05 1 1078 144 146 MET H H 7.761 0.01 1 1079 144 146 MET HB2 H 1.557 0.01 1 1080 144 146 MET HB3 H 1.557 0.01 1 1081 144 146 MET C C 176.069 0.2 1 1082 144 146 MET CA C 57.984 0.2 1 1083 144 146 MET CB C 30.868 0.2 1 1084 144 146 MET CG C 31.838 0.2 1 1085 144 146 MET N N 119.610 0.05 1 1086 145 147 LEU H H 7.846 0.01 1 1087 145 147 LEU HA H 3.462 0.01 1 1088 145 147 LEU HB2 H 1.153 0.01 2 1089 145 147 LEU HB3 H 1.072 0.01 2 1090 145 147 LEU C C 179.353 0.2 1 1091 145 147 LEU CA C 58.149 0.2 1 1092 145 147 LEU CB C 41.903 0.2 1 1093 145 147 LEU CG C 27.521 0.2 1 1094 145 147 LEU CD1 C 25.795 0.2 2 1095 145 147 LEU CD2 C 23.471 0.2 2 1096 145 147 LEU N N 117.074 0.05 1 1097 146 148 ARG H H 7.843 0.01 1 1098 146 148 ARG HA H 4.002 0.01 1 1099 146 148 ARG HB2 H 1.765 0.01 2 1100 146 148 ARG C C 181.097 0.2 1 1101 146 148 ARG CA C 58.461 0.2 1 1102 146 148 ARG CB C 29.378 0.2 1 1103 146 148 ARG CG C 27.389 0.2 1 1104 146 148 ARG CD C 42.860 0.2 1 1105 146 148 ARG N N 116.815 0.05 1 1106 147 149 ARG H H 7.917 0.01 1 1107 147 149 ARG HA H 3.904 0.01 1 1108 147 149 ARG HB2 H 1.794 0.01 1 1109 147 149 ARG HB3 H 1.794 0.01 1 1110 147 149 ARG C C 179.070 0.2 1 1111 147 149 ARG CA C 59.203 0.2 1 1112 147 149 ARG CB C 29.382 0.2 1 1113 147 149 ARG CG C 27.490 0.2 1 1114 147 149 ARG CD C 43.659 0.2 1 1115 147 149 ARG N N 123.613 0.05 1 1116 148 150 TRP H H 7.868 0.01 1 1117 148 150 TRP HA H 4.661 0.01 1 1118 148 150 TRP HB2 H 3.400 0.01 2 1119 148 150 TRP HB3 H 3.254 0.01 2 1120 148 150 TRP C C 175.104 0.2 1 1121 148 150 TRP CA C 56.128 0.2 1 1122 148 150 TRP CB C 28.838 0.2 1 1123 148 150 TRP N N 119.732 0.05 1 1124 149 151 GLY H H 7.681 0.01 1 1125 149 151 GLY HA2 H 4.277 0.01 2 1126 149 151 GLY HA3 H 3.598 0.01 2 1127 149 151 GLY C C 175.159 0.2 1 1128 149 151 GLY CA C 44.549 0.2 1 1129 149 151 GLY N N 102.969 0.05 1 1130 150 152 ALA H H 8.008 0.01 1 1131 150 152 ALA HA H 4.397 0.01 1 1132 150 152 ALA HB H 1.170 0.01 1 1133 150 152 ALA C C 177.675 0.2 1 1134 150 152 ALA CA C 52.237 0.2 1 1135 150 152 ALA CB C 18.854 0.2 1 1136 150 152 ALA N N 123.816 0.05 1 1137 151 153 SER H H 9.516 0.01 1 1138 151 153 SER HA H 4.473 0.01 1 1139 151 153 SER HB2 H 3.947 0.01 1 1140 151 153 SER HB3 H 3.947 0.01 1 1141 151 153 SER C C 175.686 0.2 1 1142 151 153 SER CA C 56.845 0.2 1 1143 151 153 SER CB C 65.873 0.2 1 1144 151 153 SER N N 120.274 0.05 1 1145 152 154 THR H H 9.066 0.01 1 1146 152 154 THR HA H 4.076 0.01 1 1147 152 154 THR HB H 3.774 0.01 1 1148 152 154 THR C C 177.151 0.2 1 1149 152 154 THR CA C 67.245 0.2 1 1150 152 154 THR CB C 68.186 0.2 1 1151 152 154 THR CG2 C 22.105 0.2 1 1152 152 154 THR N N 118.137 0.05 1 1153 153 155 GLU H H 8.631 0.01 1 1154 153 155 GLU HA H 4.028 0.01 1 1155 153 155 GLU HB2 H 1.952 0.01 1 1156 153 155 GLU HB3 H 1.952 0.01 1 1157 153 155 GLU C C 179.419 0.2 1 1158 153 155 GLU CA C 59.992 0.2 1 1159 153 155 GLU CB C 29.213 0.2 1 1160 153 155 GLU CG C 36.643 0.2 1 1161 153 155 GLU N N 121.880 0.05 1 1162 154 156 GLU H H 7.840 0.01 1 1163 154 156 GLU HA H 3.790 0.01 1 1164 154 156 GLU HB2 H 1.700 0.01 1 1165 154 156 GLU HB3 H 1.700 0.01 1 1166 154 156 GLU C C 178.867 0.2 1 1167 154 156 GLU CA C 59.455 0.2 1 1168 154 156 GLU CB C 30.204 0.2 1 1169 154 156 GLU CG C 37.729 0.2 1 1170 154 156 GLU N N 120.605 0.05 1 1171 155 157 CYS H H 8.877 0.01 1 1172 155 157 CYS HA H 3.817 0.01 1 1173 155 157 CYS HB2 H 2.968 0.01 2 1174 155 157 CYS HB3 H 2.704 0.01 2 1175 155 157 CYS C C 176.505 0.2 1 1176 155 157 CYS CA C 64.416 0.2 1 1177 155 157 CYS CB C 26.437 0.2 1 1178 155 157 CYS N N 116.611 0.05 1 1179 156 158 SER H H 7.919 0.01 1 1180 156 158 SER HA H 3.882 0.01 1 1181 156 158 SER C C 177.129 0.2 1 1182 156 158 SER CA C 61.659 0.2 1 1183 156 158 SER CB C 62.511 0.2 1 1184 156 158 SER N N 114.302 0.05 1 1185 157 159 ARG H H 7.868 0.01 1 1186 157 159 ARG HA H 3.975 0.01 1 1187 157 159 ARG HB2 H 1.739 0.01 1 1188 157 159 ARG HB3 H 1.739 0.01 1 1189 157 159 ARG C C 179.624 0.2 1 1190 157 159 ARG CA C 59.625 0.2 1 1191 157 159 ARG CB C 30.644 0.2 1 1192 157 159 ARG CG C 27.953 0.2 1 1193 157 159 ARG CD C 43.918 0.2 1 1194 157 159 ARG N N 121.267 0.05 1 1195 158 160 LEU H H 8.433 0.01 1 1196 158 160 LEU HA H 3.674 0.01 1 1197 158 160 LEU HB2 H 1.829 0.01 2 1198 158 160 LEU HB3 H 1.256 0.01 2 1199 158 160 LEU C C 178.958 0.2 1 1200 158 160 LEU CA C 57.511 0.2 1 1201 158 160 LEU CB C 41.514 0.2 1 1202 158 160 LEU CG C 27.138 0.2 1 1203 158 160 LEU CD1 C 25.125 0.2 2 1204 158 160 LEU CD2 C 22.289 0.2 2 1205 158 160 LEU N N 119.673 0.05 1 1206 159 161 GLN H H 8.640 0.01 1 1207 159 161 GLN HA H 4.030 0.01 1 1208 159 161 GLN HB2 H 2.082 0.01 1 1209 159 161 GLN HB3 H 2.082 0.01 1 1210 159 161 GLN C C 179.615 0.2 1 1211 159 161 GLN CA C 60.530 0.2 1 1212 159 161 GLN CB C 28.802 0.2 1 1213 159 161 GLN CG C 35.440 0.2 1 1214 159 161 GLN N N 118.298 0.05 1 1215 160 162 GLN H H 7.826 0.01 1 1216 160 162 GLN HA H 4.028 0.01 1 1217 160 162 GLN HB2 H 2.066 0.01 1 1218 160 162 GLN HB3 H 2.066 0.01 1 1219 160 162 GLN C C 178.544 0.2 1 1220 160 162 GLN CA C 59.028 0.2 1 1221 160 162 GLN CB C 28.147 0.2 1 1222 160 162 GLN CG C 34.045 0.2 1 1223 160 162 GLN N N 120.108 0.05 1 1224 161 163 ALA H H 7.628 0.01 1 1225 161 163 ALA HA H 3.970 0.01 1 1226 161 163 ALA HB H 0.814 0.01 1 1227 161 163 ALA C C 181.214 0.2 1 1228 161 163 ALA CA C 55.073 0.2 1 1229 161 163 ALA CB C 18.461 0.2 1 1230 161 163 ALA N N 123.964 0.05 1 1231 162 164 LEU H H 8.540 0.01 1 1232 162 164 LEU HA H 3.980 0.01 1 1233 162 164 LEU HB2 H 2.029 0.01 1 1234 162 164 LEU HB3 H 2.029 0.01 1 1235 162 164 LEU C C 178.508 0.2 1 1236 162 164 LEU CA C 58.016 0.2 1 1237 162 164 LEU CB C 41.415 0.2 1 1238 162 164 LEU CG C 25.264 0.2 1 1239 162 164 LEU CD1 C 23.338 0.2 2 1240 162 164 LEU N N 121.112 0.05 1 1241 163 165 THR H H 8.038 0.01 1 1242 163 165 THR HA H 4.271 0.01 1 1243 163 165 THR HB H 3.765 0.01 1 1244 163 165 THR C C 175.854 0.2 1 1245 163 165 THR CA C 67.079 0.2 1 1246 163 165 THR CB C 68.296 0.2 1 1247 163 165 THR CG2 C 22.047 0.2 1 1248 163 165 THR N N 117.139 0.05 1 1249 164 166 CYS H H 7.609 0.01 1 1250 164 166 CYS HA H 3.992 0.01 1 1251 164 166 CYS HB2 H 2.996 0.01 1 1252 164 166 CYS HB3 H 2.996 0.01 1 1253 164 166 CYS C C 177.039 0.2 1 1254 164 166 CYS CA C 62.447 0.2 1 1255 164 166 CYS CB C 26.331 0.2 1 1256 164 166 CYS N N 118.490 0.05 1 1257 165 167 LEU H H 7.502 0.01 1 1258 165 167 LEU HA H 4.307 0.01 1 1259 165 167 LEU HB2 H 2.185 0.01 2 1260 165 167 LEU HB3 H 1.793 0.01 2 1261 165 167 LEU C C 179.122 0.2 1 1262 165 167 LEU CA C 57.299 0.2 1 1263 165 167 LEU CB C 42.561 0.2 1 1264 165 167 LEU CG C 27.256 0.2 1 1265 165 167 LEU CD1 C 25.330 0.2 2 1266 165 167 LEU N N 119.714 0.05 1 1267 166 168 ARG H H 8.498 0.01 1 1268 166 168 ARG HA H 3.811 0.01 1 1269 166 168 ARG HB2 H 1.910 0.01 2 1270 166 168 ARG HB3 H 1.785 0.01 2 1271 166 168 ARG C C 176.992 0.2 1 1272 166 168 ARG CA C 58.925 0.2 1 1273 166 168 ARG CB C 30.639 0.2 1 1274 166 168 ARG CG C 29.181 0.2 1 1275 166 168 ARG CD C 43.328 0.2 1 1276 166 168 ARG N N 120.638 0.05 1 1277 167 169 LYS H H 7.310 0.01 1 1278 167 169 LYS HA H 4.096 0.01 1 1279 167 169 LYS HB2 H 1.906 0.01 2 1280 167 169 LYS HB3 H 1.759 0.01 2 1281 167 169 LYS C C 177.095 0.2 1 1282 167 169 LYS CA C 56.675 0.2 1 1283 167 169 LYS CB C 32.860 0.2 1 1284 167 169 LYS CG C 25.326 0.2 1 1285 167 169 LYS CD C 29.248 0.2 1 1286 167 169 LYS CE C 42.227 0.2 1 1287 167 169 LYS N N 114.822 0.05 1 1288 168 170 VAL H H 7.241 0.01 1 1289 168 170 VAL HA H 3.822 0.01 1 1290 168 170 VAL HB H 2.131 0.01 1 1291 168 170 VAL C C 175.664 0.2 1 1292 168 170 VAL CA C 63.961 0.2 1 1293 168 170 VAL CB C 31.640 0.2 1 1294 168 170 VAL CG1 C 22.190 0.2 2 1295 168 170 VAL CG2 C 21.725 0.2 2 1296 168 170 VAL N N 120.111 0.05 1 1297 169 171 THR H H 8.003 0.01 1 1298 169 171 THR HA H 4.467 0.01 1 1299 169 171 THR HB H 4.255 0.01 1 1300 169 171 THR C C 173.991 0.2 1 1301 169 171 THR CA C 60.546 0.2 1 1302 169 171 THR CB C 71.125 0.2 1 1303 169 171 THR CG2 C 21.043 0.2 1 1304 169 171 THR N N 117.632 0.05 1 1305 170 172 GLY H H 8.018 0.01 1 1306 170 172 GLY C C 179.059 0.2 1 1307 170 172 GLY CA C 46.374 0.2 1 1308 170 172 GLY N N 114.331 0.05 1 stop_ save_