data_17202 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of tandem SH2 domain from Spt6 ; _BMRB_accession_number 17202 _BMRB_flat_file_name bmr17202.str _Entry_type original _Submission_date 2010-09-22 _Accession_date 2010-09-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Jianping . . 2 Zhang Jiahai . . 3 Wu Jihui . . 4 Shi Yunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1136 "13C chemical shifts" 611 "15N chemical shifts" 207 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-13 update BMRB 'update entry citation' 2011-06-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of tandem SH2 domains from Spt6 protein and their binding to the phosphorylated RNA polymerase II C-terminal domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21676864 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Jianping . . 2 Zhang Jiahai . . 3 Gong Qingguo . . 4 Xiong Peng . . 5 Huang Hongda . . 6 Wu Bo . . 7 Lu Guowei . . 8 Wu Jihui . . 9 Shi Yunyu . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 286 _Journal_issue 33 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 29218 _Page_last 29226 _Year 2011 _Details . loop_ _Keyword SH2 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Tandem SH2 domains of Spt6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Tandem SH2 domains of Spt6' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Tandem SH2 domains of Spt6' _Molecular_mass 47542.332 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 199 _Mol_residue_sequence ; THRVINHPYYFPFNGRQAED YLRSKERGEFVIRQSSRGDD HLVITWKLDKDLFQHIDIQE LEKENPLALGKVLIVDNQKY NDLDQIIVEYLQNKVRLLNE MTSSEKFKSGTKKDVVKFIE DYSRVNPNKSVYYFSLNHDN PGWFYLMFKINANSKLYTWN VKLTNTGYFLVNYNYPSVIQ LCNGFKTLLKSLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 THR 2 HIS 3 ARG 4 VAL 5 ILE 6 ASN 7 HIS 8 PRO 9 TYR 10 TYR 11 PHE 12 PRO 13 PHE 14 ASN 15 GLY 16 ARG 17 GLN 18 ALA 19 GLU 20 ASP 21 TYR 22 LEU 23 ARG 24 SER 25 LYS 26 GLU 27 ARG 28 GLY 29 GLU 30 PHE 31 VAL 32 ILE 33 ARG 34 GLN 35 SER 36 SER 37 ARG 38 GLY 39 ASP 40 ASP 41 HIS 42 LEU 43 VAL 44 ILE 45 THR 46 TRP 47 LYS 48 LEU 49 ASP 50 LYS 51 ASP 52 LEU 53 PHE 54 GLN 55 HIS 56 ILE 57 ASP 58 ILE 59 GLN 60 GLU 61 LEU 62 GLU 63 LYS 64 GLU 65 ASN 66 PRO 67 LEU 68 ALA 69 LEU 70 GLY 71 LYS 72 VAL 73 LEU 74 ILE 75 VAL 76 ASP 77 ASN 78 GLN 79 LYS 80 TYR 81 ASN 82 ASP 83 LEU 84 ASP 85 GLN 86 ILE 87 ILE 88 VAL 89 GLU 90 TYR 91 LEU 92 GLN 93 ASN 94 LYS 95 VAL 96 ARG 97 LEU 98 LEU 99 ASN 100 GLU 101 MET 102 THR 103 SER 104 SER 105 GLU 106 LYS 107 PHE 108 LYS 109 SER 110 GLY 111 THR 112 LYS 113 LYS 114 ASP 115 VAL 116 VAL 117 LYS 118 PHE 119 ILE 120 GLU 121 ASP 122 TYR 123 SER 124 ARG 125 VAL 126 ASN 127 PRO 128 ASN 129 LYS 130 SER 131 VAL 132 TYR 133 TYR 134 PHE 135 SER 136 LEU 137 ASN 138 HIS 139 ASP 140 ASN 141 PRO 142 GLY 143 TRP 144 PHE 145 TYR 146 LEU 147 MET 148 PHE 149 LYS 150 ILE 151 ASN 152 ALA 153 ASN 154 SER 155 LYS 156 LEU 157 TYR 158 THR 159 TRP 160 ASN 161 VAL 162 LYS 163 LEU 164 THR 165 ASN 166 THR 167 GLY 168 TYR 169 PHE 170 LEU 171 VAL 172 ASN 173 TYR 174 ASN 175 TYR 176 PRO 177 SER 178 VAL 179 ILE 180 GLN 181 LEU 182 CYS 183 ASN 184 GLY 185 PHE 186 LYS 187 THR 188 LEU 189 LEU 190 LYS 191 SER 192 LEU 193 GLU 194 HIS 195 HIS 196 HIS 197 HIS 198 HIS 199 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 2L3T "Solution Structure Of Tandem Sh2 Domain From Spt6" 100.00 199 100.00 100.00 1.74e-143 PDB 3PSI "Crystal Structure Of The Spt6 Core Domain From Saccharomyces Cerevisiae, Form Spt6(239-1451)" 95.98 1219 100.00 100.00 1.69e-127 PDB 3PSJ "Crystal Structure Of The Spt6 Tandem Sh2 Domain From Saccharomyces Cerevisiae, Form Se-Spt6 (1247-1451)" 95.98 210 98.95 98.95 3.40e-134 PDB 3PSK "Crystal Structure Of The Spt6 Tandem Sh2 Domain From Saccharomyces Cerevisiae, Form Native Spt6 (1247-1451)" 95.98 211 100.00 100.00 1.35e-136 DBJ GAA23491 "K7_Spt6p [Saccharomyces cerevisiae Kyokai no. 7]" 95.98 1451 99.48 100.00 2.99e-126 EMBL CAA97124 "SPT6 [Saccharomyces cerevisiae]" 95.98 1451 100.00 100.00 4.28e-127 EMBL CAA97127 "SPT6 [Saccharomyces cerevisiae]" 95.98 1367 100.00 100.00 3.52e-127 GB AAA35086 "SPT6 protein [Saccharomyces cerevisiae]" 95.98 1451 100.00 100.00 4.28e-127 GB AJP38891 "Spt6p [Saccharomyces cerevisiae YJM1078]" 95.98 1451 98.95 99.48 1.46e-125 GB AJR76211 "Spt6p [Saccharomyces cerevisiae YJM189]" 95.98 1451 99.48 100.00 3.31e-126 GB AJR76711 "Spt6p [Saccharomyces cerevisiae YJM193]" 95.98 1451 99.48 100.00 3.82e-126 GB AJR77209 "Spt6p [Saccharomyces cerevisiae YJM195]" 95.98 1451 99.48 100.00 2.99e-126 REF NP_011631 "chromatin-remodeling histone chaperone SPT6 [Saccharomyces cerevisiae S288c]" 95.98 1451 100.00 100.00 4.28e-127 SP P23615 "RecName: Full=Transcription elongation factor SPT6; AltName: Full=Chromatin elongation factor SPT6" 95.98 1451 100.00 100.00 4.28e-127 TPG DAA08208 "TPA: chromatin-remodeling histone chaperone SPT6 [Saccharomyces cerevisiae S288c]" 95.98 1451 100.00 100.00 4.28e-127 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $entity 'recombinant technology' . Escherichia coli BL21(DE3) pET22b(+) 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 $entity 0.5 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' EDTA 1 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.24 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 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' 0.175 . M pH 5.5 . pH pressure 1 . atm temperature 310 . 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 water C 13 protons ppm 4.658 internal indirect . . . 0.251449530 water H 1 protons ppm 4.658 internal direct . . . 1.000000000 water N 15 protons ppm 4.658 internal 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 HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HCACO' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Tandem SH2 domains of Spt6' _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 1 THR H H 7.148 0.003 1 2 1 1 THR HA H 4.624 0.008 1 3 1 1 THR CA C 61.031 0.050 1 4 1 1 THR CB C 69.767 0.050 1 5 1 1 THR N N 121.997 0.300 1 6 2 2 HIS H H 8.375 0.008 1 7 2 2 HIS HA H 4.828 0.008 1 8 2 2 HIS HB2 H 3.188 0.006 1 9 2 2 HIS HB3 H 3.188 0.006 1 10 2 2 HIS C C 173.726 0.050 1 11 2 2 HIS CA C 55.616 0.074 1 12 2 2 HIS CB C 29.621 0.008 1 13 2 2 HIS N N 120.673 0.045 1 14 3 3 ARG H H 8.483 0.031 1 15 3 3 ARG HA H 4.312 0.009 1 16 3 3 ARG HB2 H 1.677 0.013 1 17 3 3 ARG HB3 H 1.677 0.013 1 18 3 3 ARG HG2 H 1.443 0.010 1 19 3 3 ARG HG3 H 1.443 0.010 1 20 3 3 ARG C C 175.648 0.050 1 21 3 3 ARG CA C 56.001 0.050 1 22 3 3 ARG CB C 31.347 0.050 1 23 3 3 ARG N N 123.252 0.312 1 24 4 4 VAL H H 8.656 0.008 1 25 4 4 VAL HA H 3.951 0.011 1 26 4 4 VAL HB H 1.879 0.007 1 27 4 4 VAL HG1 H 0.771 0.002 2 28 4 4 VAL HG2 H 0.483 0.010 2 29 4 4 VAL C C 174.593 0.050 1 30 4 4 VAL CA C 62.527 0.045 1 31 4 4 VAL CB C 32.846 0.073 1 32 4 4 VAL CG1 C 20.838 0.050 1 33 4 4 VAL CG2 C 20.838 0.050 1 34 4 4 VAL N N 125.765 0.090 1 35 5 5 ILE H H 6.389 0.026 1 36 5 5 ILE HA H 3.927 0.006 1 37 5 5 ILE HG12 H 0.783 0.010 1 38 5 5 ILE HG13 H 0.783 0.010 1 39 5 5 ILE HG2 H 0.491 0.007 1 40 5 5 ILE HD1 H 0.516 0.003 1 41 5 5 ILE C C 174.764 0.050 1 42 5 5 ILE CA C 58.797 0.050 1 43 5 5 ILE CB C 38.208 0.050 1 44 5 5 ILE N N 126.484 0.234 1 45 6 6 ASN H H 8.796 0.021 1 46 6 6 ASN HA H 4.700 0.017 1 47 6 6 ASN HB2 H 2.808 0.005 2 48 6 6 ASN HB3 H 2.603 0.008 2 49 6 6 ASN HD21 H 7.475 0.035 2 50 6 6 ASN HD22 H 6.725 0.036 2 51 6 6 ASN C C 173.333 0.050 1 52 6 6 ASN CA C 52.216 0.043 1 53 6 6 ASN CB C 37.406 0.004 1 54 6 6 ASN N N 125.968 0.244 1 55 6 6 ASN ND2 N 112.226 0.494 1 56 7 7 HIS H H 7.667 0.024 1 57 7 7 HIS HB2 H 2.999 0.042 1 58 7 7 HIS HB3 H 2.999 0.042 1 59 7 7 HIS HD2 H 7.155 0.003 1 60 7 7 HIS N N 124.637 0.259 1 61 9 9 TYR H H 8.298 0.003 1 62 9 9 TYR HB2 H 2.503 0.001 1 63 9 9 TYR HB3 H 2.503 0.001 1 64 9 9 TYR C C 173.914 0.050 1 65 9 9 TYR CA C 58.098 0.050 1 66 10 10 TYR H H 7.630 0.028 1 67 10 10 TYR HA H 5.410 0.011 1 68 10 10 TYR HB2 H 3.007 0.010 1 69 10 10 TYR HB3 H 3.007 0.010 1 70 10 10 TYR HD1 H 6.781 0.010 1 71 10 10 TYR HD2 H 6.781 0.010 1 72 10 10 TYR HE1 H 6.604 0.025 1 73 10 10 TYR HE2 H 6.604 0.025 1 74 10 10 TYR C C 174.577 0.050 1 75 10 10 TYR CA C 57.155 0.050 1 76 10 10 TYR CB C 40.083 0.050 1 77 10 10 TYR N N 119.877 0.274 1 78 11 11 PHE H H 8.287 0.022 1 79 11 11 PHE HA H 4.181 0.003 1 80 11 11 PHE HB2 H 2.480 0.002 2 81 11 11 PHE HB3 H 2.357 0.003 2 82 11 11 PHE HD1 H 6.717 0.004 1 83 11 11 PHE HD2 H 6.717 0.004 1 84 11 11 PHE HE1 H 7.036 0.015 1 85 11 11 PHE HE2 H 7.036 0.015 1 86 11 11 PHE N N 126.470 0.290 1 87 12 12 PRO HA H 4.628 0.003 1 88 12 12 PRO HB2 H 2.412 0.052 1 89 12 12 PRO HB3 H 2.412 0.052 1 90 12 12 PRO HD2 H 3.738 0.003 1 91 12 12 PRO HD3 H 3.738 0.003 1 92 12 12 PRO C C 175.194 0.050 1 93 12 12 PRO CA C 62.136 0.031 1 94 12 12 PRO CB C 28.333 0.029 1 95 13 13 PHE H H 7.555 0.027 1 96 13 13 PHE HA H 5.316 0.009 1 97 13 13 PHE HB2 H 2.474 0.003 1 98 13 13 PHE HB3 H 2.474 0.003 1 99 13 13 PHE HD1 H 6.638 0.013 1 100 13 13 PHE HD2 H 6.638 0.013 1 101 13 13 PHE C C 177.076 0.050 1 102 13 13 PHE CA C 52.691 0.050 1 103 13 13 PHE CB C 42.492 0.050 1 104 13 13 PHE N N 121.817 0.271 1 105 14 14 ASN H H 8.301 0.005 1 106 14 14 ASN HA H 4.946 0.016 1 107 14 14 ASN HB2 H 3.350 0.010 2 108 14 14 ASN HB3 H 2.890 0.004 2 109 14 14 ASN HD21 H 7.406 0.032 2 110 14 14 ASN HD22 H 6.807 0.034 2 111 14 14 ASN C C 176.689 0.050 1 112 14 14 ASN CA C 51.307 0.054 1 113 14 14 ASN CB C 38.207 0.050 1 114 14 14 ASN N N 117.161 0.057 1 115 14 14 ASN ND2 N 110.218 0.126 1 116 15 15 GLY H H 8.647 0.024 1 117 15 15 GLY HA2 H 3.858 0.009 2 118 15 15 GLY HA3 H 3.459 0.016 2 119 15 15 GLY C C 175.192 0.050 1 120 15 15 GLY CA C 48.718 0.050 1 121 15 15 GLY N N 106.751 0.258 1 122 16 16 ARG H H 7.766 0.022 1 123 16 16 ARG HA H 3.889 0.007 1 124 16 16 ARG HB2 H 1.754 0.009 1 125 16 16 ARG HB3 H 1.754 0.009 1 126 16 16 ARG HG2 H 1.588 0.006 1 127 16 16 ARG HG3 H 1.588 0.006 1 128 16 16 ARG HD2 H 3.158 0.005 1 129 16 16 ARG HD3 H 3.158 0.005 1 130 16 16 ARG C C 178.892 0.050 1 131 16 16 ARG CA C 58.648 0.050 1 132 16 16 ARG CB C 29.227 0.023 1 133 16 16 ARG CG C 26.994 0.050 1 134 16 16 ARG CD C 42.890 0.050 1 135 16 16 ARG N N 121.761 0.241 1 136 17 17 GLN H H 8.462 0.022 1 137 17 17 GLN HA H 3.768 0.007 1 138 17 17 GLN HB2 H 2.193 0.010 1 139 17 17 GLN HB3 H 2.193 0.010 1 140 17 17 GLN HG2 H 2.486 0.010 1 141 17 17 GLN HG3 H 2.486 0.010 1 142 17 17 GLN HE21 H 7.434 0.056 2 143 17 17 GLN HE22 H 6.788 0.041 2 144 17 17 GLN C C 179.231 0.050 1 145 17 17 GLN CA C 57.987 0.005 1 146 17 17 GLN CB C 27.988 0.050 1 147 17 17 GLN N N 117.834 0.239 1 148 17 17 GLN NE2 N 111.646 0.002 1 149 18 18 ALA H H 8.153 0.026 1 150 18 18 ALA HA H 3.784 0.010 1 151 18 18 ALA HB H 1.460 0.009 1 152 18 18 ALA C C 178.005 0.050 1 153 18 18 ALA CA C 54.955 0.050 1 154 18 18 ALA CB C 18.957 0.009 1 155 18 18 ALA N N 121.320 0.283 1 156 19 19 GLU H H 7.565 0.005 1 157 19 19 GLU HB2 H 2.534 0.014 1 158 19 19 GLU HB3 H 2.534 0.014 1 159 19 19 GLU C C 177.837 0.050 1 160 19 19 GLU CA C 59.718 0.048 1 161 19 19 GLU CB C 28.144 0.050 1 162 19 19 GLU CG C 36.348 0.050 1 163 19 19 GLU N N 117.118 0.070 1 164 20 20 ASP H H 7.915 0.036 1 165 20 20 ASP HA H 4.184 0.005 1 166 20 20 ASP HB2 H 2.506 0.005 1 167 20 20 ASP HB3 H 2.506 0.005 1 168 20 20 ASP C C 178.930 0.050 1 169 20 20 ASP CA C 57.381 0.050 1 170 20 20 ASP CB C 40.061 0.086 1 171 20 20 ASP N N 117.015 0.362 1 172 21 21 TYR H H 7.849 0.040 1 173 21 21 TYR HA H 3.961 0.011 1 174 21 21 TYR HB2 H 2.703 0.011 1 175 21 21 TYR HB3 H 2.703 0.011 1 176 21 21 TYR HD1 H 6.802 0.009 1 177 21 21 TYR HD2 H 6.802 0.009 1 178 21 21 TYR HE1 H 6.644 0.004 1 179 21 21 TYR HE2 H 6.644 0.004 1 180 21 21 TYR C C 177.383 0.050 1 181 21 21 TYR CA C 61.097 0.050 1 182 21 21 TYR CB C 39.174 0.050 1 183 21 21 TYR N N 121.555 0.419 1 184 22 22 LEU H H 7.637 0.026 1 185 22 22 LEU HA H 3.894 0.003 1 186 22 22 LEU HB2 H 1.911 0.003 1 187 22 22 LEU HB3 H 1.911 0.003 1 188 22 22 LEU HG H 1.493 0.003 1 189 22 22 LEU HD1 H 0.814 0.006 1 190 22 22 LEU HD2 H 0.814 0.006 1 191 22 22 LEU C C 178.789 0.050 1 192 22 22 LEU CA C 55.189 0.050 1 193 22 22 LEU CB C 43.859 0.050 1 194 22 22 LEU N N 115.597 0.350 1 195 23 23 ARG H H 7.780 0.024 1 196 23 23 ARG HA H 4.083 0.006 1 197 23 23 ARG HB2 H 2.238 0.007 2 198 23 23 ARG HB3 H 1.899 0.010 2 199 23 23 ARG HG2 H 1.479 0.003 1 200 23 23 ARG HG3 H 1.479 0.003 1 201 23 23 ARG HD2 H 3.433 0.003 1 202 23 23 ARG HD3 H 3.433 0.003 1 203 23 23 ARG CA C 61.311 0.050 1 204 23 23 ARG CB C 29.919 0.050 1 205 23 23 ARG N N 123.239 0.316 1 206 24 24 SER H H 8.035 0.001 1 207 24 24 SER HA H 4.604 0.003 1 208 24 24 SER HB2 H 3.897 0.005 1 209 24 24 SER HB3 H 3.897 0.005 1 210 24 24 SER C C 174.330 0.050 1 211 24 24 SER CA C 57.910 0.029 1 212 24 24 SER CB C 63.454 0.050 1 213 25 25 LYS H H 7.277 0.026 1 214 25 25 LYS HA H 4.487 0.011 1 215 25 25 LYS HB2 H 2.446 0.003 2 216 25 25 LYS HB3 H 1.995 0.010 2 217 25 25 LYS HG2 H 1.242 0.012 1 218 25 25 LYS HG3 H 1.242 0.012 1 219 25 25 LYS HD2 H 1.464 0.009 1 220 25 25 LYS HD3 H 1.464 0.009 1 221 25 25 LYS HE2 H 2.688 0.002 1 222 25 25 LYS HE3 H 2.688 0.002 1 223 25 25 LYS C C 175.394 0.050 1 224 25 25 LYS CA C 54.259 0.050 1 225 25 25 LYS CB C 32.742 0.122 1 226 25 25 LYS CD C 27.839 0.050 1 227 25 25 LYS N N 120.942 0.295 1 228 26 26 GLU H H 8.863 0.023 1 229 26 26 GLU HA H 4.341 0.007 1 230 26 26 GLU HB2 H 2.189 0.006 1 231 26 26 GLU HB3 H 2.189 0.006 1 232 26 26 GLU HG2 H 2.463 0.002 2 233 26 26 GLU HG3 H 2.356 0.012 2 234 26 26 GLU C C 176.218 0.050 1 235 26 26 GLU CA C 55.880 0.048 1 236 26 26 GLU CB C 30.268 0.826 1 237 26 26 GLU CG C 36.259 0.050 1 238 26 26 GLU N N 120.053 0.265 1 239 27 27 ARG H H 8.423 0.024 1 240 27 27 ARG HA H 3.684 0.005 1 241 27 27 ARG HB2 H 1.660 0.003 1 242 27 27 ARG HB3 H 1.660 0.003 1 243 27 27 ARG HG2 H 1.513 0.003 1 244 27 27 ARG HG3 H 1.513 0.003 1 245 27 27 ARG HD2 H 3.297 0.003 2 246 27 27 ARG HD3 H 3.179 0.003 2 247 27 27 ARG N N 119.260 0.242 1 248 28 28 GLY H H 9.710 0.034 1 249 28 28 GLY HA2 H 4.595 0.013 2 250 28 28 GLY HA3 H 3.806 0.016 2 251 28 28 GLY C C 173.729 0.050 1 252 28 28 GLY CA C 45.557 0.050 1 253 28 28 GLY N N 115.266 0.382 1 254 29 29 GLU H H 7.980 0.007 1 255 29 29 GLU HA H 4.443 0.016 1 256 29 29 GLU HB2 H 2.185 0.002 1 257 29 29 GLU HB3 H 2.185 0.002 1 258 29 29 GLU HG2 H 2.525 0.002 2 259 29 29 GLU HG3 H 2.197 0.006 2 260 29 29 GLU C C 174.914 0.050 1 261 29 29 GLU CA C 58.610 0.060 1 262 29 29 GLU CB C 29.650 0.050 1 263 29 29 GLU CG C 38.311 0.050 1 264 29 29 GLU N N 119.323 0.017 1 265 30 30 PHE H H 7.713 0.030 1 266 30 30 PHE HA H 6.046 0.008 1 267 30 30 PHE HB2 H 3.000 0.010 1 268 30 30 PHE HB3 H 3.000 0.010 1 269 30 30 PHE HD1 H 7.044 0.012 1 270 30 30 PHE HD2 H 7.044 0.012 1 271 30 30 PHE HE1 H 6.758 0.012 1 272 30 30 PHE HE2 H 6.758 0.012 1 273 30 30 PHE C C 173.327 0.050 1 274 30 30 PHE CA C 56.002 0.050 1 275 30 30 PHE CB C 44.170 0.050 1 276 30 30 PHE N N 115.170 0.327 1 277 31 31 VAL H H 8.988 0.022 1 278 31 31 VAL HA H 4.962 0.012 1 279 31 31 VAL HB H 2.299 0.010 1 280 31 31 VAL HG1 H 0.893 0.008 1 281 31 31 VAL HG2 H 0.893 0.008 1 282 31 31 VAL C C 174.051 0.050 1 283 31 31 VAL CA C 59.897 0.050 1 284 31 31 VAL CB C 35.934 0.050 1 285 31 31 VAL CG1 C 24.061 0.050 1 286 31 31 VAL CG2 C 24.061 0.050 1 287 31 31 VAL N N 110.585 0.315 1 288 32 32 ILE H H 9.063 0.027 1 289 32 32 ILE HA H 5.115 0.009 1 290 32 32 ILE HB H 1.651 0.008 1 291 32 32 ILE HG2 H 1.008 0.009 1 292 32 32 ILE HD1 H 0.568 0.002 1 293 32 32 ILE C C 173.315 0.050 1 294 32 32 ILE CA C 60.432 0.050 1 295 32 32 ILE CB C 39.274 0.050 1 296 32 32 ILE N N 124.504 0.362 1 297 33 33 ARG H H 9.673 0.023 1 298 33 33 ARG HA H 3.365 0.003 1 299 33 33 ARG HB2 H 1.450 0.006 1 300 33 33 ARG HB3 H 1.450 0.006 1 301 33 33 ARG HD2 H 3.145 0.003 1 302 33 33 ARG HD3 H 3.145 0.003 1 303 33 33 ARG C C 174.526 0.050 1 304 33 33 ARG CA C 54.154 0.050 1 305 33 33 ARG CB C 32.773 0.050 1 306 33 33 ARG N N 122.829 0.346 1 307 34 34 GLN H H 7.898 0.033 1 308 34 34 GLN HA H 4.663 0.009 1 309 34 34 GLN HB2 H 2.220 0.011 1 310 34 34 GLN HB3 H 2.220 0.011 1 311 34 34 GLN HG2 H 2.445 0.007 1 312 34 34 GLN HG3 H 2.445 0.007 1 313 34 34 GLN HE21 H 7.396 0.003 2 314 34 34 GLN HE22 H 6.878 0.042 2 315 34 34 GLN C C 175.589 0.050 1 316 34 34 GLN CA C 56.010 0.050 1 317 34 34 GLN CB C 29.894 0.049 1 318 34 34 GLN CG C 34.006 0.050 1 319 34 34 GLN N N 117.721 0.359 1 320 34 34 GLN NE2 N 112.327 0.300 1 321 35 35 SER H H 8.401 0.036 1 322 35 35 SER HB2 H 3.627 0.003 2 323 35 35 SER HB3 H 3.531 0.009 2 324 35 35 SER N N 115.455 0.356 1 325 36 36 SER H H 7.752 0.057 1 326 36 36 SER HA H 4.475 0.003 1 327 36 36 SER HB2 H 4.032 0.003 1 328 36 36 SER HB3 H 4.032 0.003 1 329 36 36 SER C C 179.984 0.050 1 330 36 36 SER CB C 63.444 0.050 1 331 36 36 SER N N 118.979 0.571 1 332 37 37 ARG H H 8.504 0.005 1 333 37 37 ARG HA H 4.186 0.004 1 334 37 37 ARG HB2 H 1.605 0.012 1 335 37 37 ARG HB3 H 1.605 0.012 1 336 37 37 ARG HG2 H 1.457 0.004 1 337 37 37 ARG HG3 H 1.457 0.004 1 338 37 37 ARG HD2 H 2.946 0.003 1 339 37 37 ARG HD3 H 2.946 0.003 1 340 37 37 ARG C C 176.441 0.050 1 341 37 37 ARG CA C 56.915 0.050 1 342 37 37 ARG CB C 30.163 0.050 1 343 37 37 ARG N N 120.710 0.038 1 344 38 38 GLY H H 7.500 0.026 1 345 38 38 GLY HA2 H 4.418 0.007 2 346 38 38 GLY HA3 H 3.896 0.005 2 347 38 38 GLY C C 173.503 0.050 1 348 38 38 GLY CA C 45.144 0.080 1 349 38 38 GLY N N 106.104 0.264 1 350 39 39 ASP H H 8.299 0.026 1 351 39 39 ASP HA H 4.658 0.008 1 352 39 39 ASP HB2 H 2.857 0.005 2 353 39 39 ASP HB3 H 2.653 0.013 2 354 39 39 ASP C C 174.750 0.050 1 355 39 39 ASP CA C 55.161 0.050 1 356 39 39 ASP CB C 40.868 0.050 1 357 39 39 ASP N N 118.555 0.287 1 358 40 40 ASP H H 8.672 0.026 1 359 40 40 ASP HA H 4.652 0.006 1 360 40 40 ASP HB2 H 2.960 0.003 2 361 40 40 ASP HB3 H 2.596 0.003 2 362 40 40 ASP C C 174.681 0.050 1 363 40 40 ASP CA C 53.070 0.050 1 364 40 40 ASP CB C 39.562 0.050 1 365 40 40 ASP N N 115.591 0.257 1 366 41 41 HIS H H 7.755 0.030 1 367 41 41 HIS HA H 5.413 0.009 1 368 41 41 HIS HB2 H 3.131 0.009 1 369 41 41 HIS HB3 H 3.131 0.009 1 370 41 41 HIS HD2 H 7.379 0.004 1 371 41 41 HIS C C 173.210 0.050 1 372 41 41 HIS CA C 55.174 0.050 1 373 41 41 HIS N N 116.074 0.253 1 374 42 42 LEU H H 9.213 0.026 1 375 42 42 LEU HA H 4.889 0.013 1 376 42 42 LEU HB2 H 1.417 0.005 1 377 42 42 LEU HB3 H 1.417 0.005 1 378 42 42 LEU HG H 0.830 0.005 1 379 42 42 LEU HD1 H 0.604 0.002 1 380 42 42 LEU HD2 H 0.604 0.002 1 381 42 42 LEU C C 174.844 0.050 1 382 42 42 LEU CA C 53.707 0.050 1 383 42 42 LEU CB C 47.021 0.050 1 384 42 42 LEU N N 121.568 0.316 1 385 43 43 VAL H H 8.836 0.025 1 386 43 43 VAL HA H 5.229 0.013 1 387 43 43 VAL HB H 1.650 0.002 1 388 43 43 VAL HG1 H 0.999 0.013 1 389 43 43 VAL HG2 H 0.999 0.013 1 390 43 43 VAL C C 176.121 0.050 1 391 43 43 VAL CA C 60.500 0.050 1 392 43 43 VAL CB C 37.342 0.050 1 393 43 43 VAL N N 119.688 0.362 1 394 44 44 ILE H H 9.011 0.023 1 395 44 44 ILE HA H 5.189 0.011 1 396 44 44 ILE HB H 1.670 0.012 1 397 44 44 ILE HG12 H 0.563 0.003 1 398 44 44 ILE HG13 H 0.563 0.003 1 399 44 44 ILE HG2 H 0.838 0.006 1 400 44 44 ILE HD1 H 0.483 0.008 1 401 44 44 ILE C C 175.765 0.050 1 402 44 44 ILE CA C 59.993 0.050 1 403 44 44 ILE CB C 40.652 0.050 1 404 44 44 ILE N N 123.755 0.341 1 405 45 45 THR H H 9.183 0.022 1 406 45 45 THR HA H 5.538 0.017 1 407 45 45 THR HB H 3.685 0.004 1 408 45 45 THR HG2 H 1.455 0.002 1 409 45 45 THR C C 173.270 0.050 1 410 45 45 THR CA C 62.463 0.050 1 411 45 45 THR CB C 71.532 0.050 1 412 45 45 THR N N 127.776 0.298 1 413 46 46 TRP H H 9.311 0.021 1 414 46 46 TRP HA H 5.938 0.008 1 415 46 46 TRP HB2 H 3.300 0.004 2 416 46 46 TRP HB3 H 3.021 0.003 2 417 46 46 TRP HD1 H 7.067 0.001 1 418 46 46 TRP HE1 H 9.972 0.003 1 419 46 46 TRP N N 124.001 0.307 1 420 46 46 TRP NE1 N 128.627 0.507 1 421 47 47 LYS HA H 4.375 0.003 1 422 47 47 LYS C C 174.411 0.050 1 423 47 47 LYS CA C 55.699 0.050 1 424 48 48 LEU H H 8.366 0.030 1 425 48 48 LEU HA H 3.934 0.012 1 426 48 48 LEU HB2 H 1.056 0.009 2 427 48 48 LEU HB3 H 1.179 0.007 2 428 48 48 LEU HG H 0.814 0.001 1 429 48 48 LEU HD1 H -0.331 0.017 1 430 48 48 LEU HD2 H -0.331 0.017 1 431 48 48 LEU C C 175.027 0.050 1 432 48 48 LEU CA C 51.486 0.050 1 433 48 48 LEU CB C 43.124 0.050 1 434 48 48 LEU N N 128.291 0.401 1 435 49 49 ASP H H 7.763 0.036 1 436 49 49 ASP HA H 4.489 0.008 1 437 49 49 ASP HB2 H 2.522 0.007 1 438 49 49 ASP HB3 H 2.522 0.007 1 439 49 49 ASP C C 174.411 0.050 1 440 49 49 ASP CA C 52.166 0.050 1 441 49 49 ASP CB C 43.326 0.050 1 442 49 49 ASP N N 115.595 0.362 1 443 50 50 LYS H H 8.745 0.027 1 444 50 50 LYS HA H 3.904 0.005 1 445 50 50 LYS HB2 H 1.694 0.008 1 446 50 50 LYS HB3 H 1.694 0.008 1 447 50 50 LYS HG2 H 1.274 0.004 1 448 50 50 LYS HG3 H 1.274 0.004 1 449 50 50 LYS HD2 H 1.410 0.004 1 450 50 50 LYS HD3 H 1.410 0.004 1 451 50 50 LYS HE2 H 2.983 0.004 1 452 50 50 LYS HE3 H 2.983 0.004 1 453 50 50 LYS N N 121.449 0.296 1 454 52 52 LEU HD1 H 0.216 0.011 1 455 52 52 LEU HD2 H 0.216 0.011 1 456 52 52 LEU C C 172.758 0.050 1 457 53 53 PHE H H 8.660 0.006 1 458 53 53 PHE HA H 5.085 0.009 1 459 53 53 PHE HB2 H 2.492 0.009 1 460 53 53 PHE HB3 H 2.492 0.009 1 461 53 53 PHE HD1 H 6.843 0.003 1 462 53 53 PHE HD2 H 6.843 0.003 1 463 53 53 PHE HE1 H 7.061 0.016 1 464 53 53 PHE HE2 H 7.061 0.016 1 465 53 53 PHE CA C 55.083 0.050 1 466 53 53 PHE CB C 42.104 0.050 1 467 53 53 PHE N N 125.827 0.120 1 468 54 54 GLN H H 7.983 0.010 1 469 54 54 GLN HA H 4.770 0.003 1 470 54 54 GLN HB2 H 2.153 0.003 1 471 54 54 GLN HB3 H 2.153 0.003 1 472 54 54 GLN HG2 H 2.498 0.003 1 473 54 54 GLN HG3 H 2.498 0.003 1 474 54 54 GLN C C 172.985 0.050 1 475 54 54 GLN CA C 53.546 0.050 1 476 54 54 GLN N N 119.356 0.050 1 477 55 55 HIS H H 9.047 0.029 1 478 55 55 HIS HA H 5.205 0.005 1 479 55 55 HIS HB2 H 2.766 0.013 2 480 55 55 HIS HB3 H 2.593 0.002 2 481 55 55 HIS HD2 H 7.133 0.003 1 482 55 55 HIS C C 175.410 0.050 1 483 55 55 HIS CA C 55.061 0.050 1 484 55 55 HIS CB C 31.787 0.258 1 485 55 55 HIS N N 127.860 0.289 1 486 56 56 ILE H H 9.905 0.023 1 487 56 56 ILE HA H 4.272 0.005 1 488 56 56 ILE HB H 1.935 0.009 1 489 56 56 ILE HG12 H 1.248 0.012 1 490 56 56 ILE HG13 H 1.248 0.012 1 491 56 56 ILE HG2 H 0.445 0.001 1 492 56 56 ILE HD1 H 0.822 0.004 1 493 56 56 ILE C C 174.417 0.050 1 494 56 56 ILE CA C 60.844 0.050 1 495 56 56 ILE N N 127.474 0.341 1 496 57 57 ASP H H 8.663 0.029 1 497 57 57 ASP HA H 4.867 0.006 1 498 57 57 ASP HB2 H 2.659 0.008 1 499 57 57 ASP HB3 H 2.659 0.008 1 500 57 57 ASP C C 174.626 0.050 1 501 57 57 ASP CA C 55.715 0.105 1 502 57 57 ASP CB C 43.184 0.050 1 503 57 57 ASP N N 127.348 0.292 1 504 58 58 ILE H H 8.823 0.035 1 505 58 58 ILE HA H 4.412 0.007 1 506 58 58 ILE HB H 1.641 0.011 1 507 58 58 ILE HG2 H 0.544 0.007 1 508 58 58 ILE C C 175.398 0.050 1 509 58 58 ILE CA C 60.295 0.050 1 510 58 58 ILE CB C 39.805 0.050 1 511 58 58 ILE N N 124.170 0.320 1 512 59 59 GLN H H 8.659 0.038 1 513 59 59 GLN HA H 4.312 0.003 1 514 59 59 GLN HB2 H 1.631 0.003 1 515 59 59 GLN HB3 H 1.631 0.003 1 516 59 59 GLN HG2 H 1.950 0.003 1 517 59 59 GLN HG3 H 1.950 0.003 1 518 59 59 GLN C C 174.734 0.050 1 519 59 59 GLN CA C 54.435 0.050 1 520 59 59 GLN CB C 30.199 0.050 1 521 59 59 GLN CG C 33.550 0.050 1 522 59 59 GLN N N 126.511 0.451 1 523 60 60 GLU H H 8.578 0.030 1 524 60 60 GLU HA H 4.840 0.008 1 525 60 60 GLU HB2 H 1.603 0.003 2 526 60 60 GLU HB3 H 1.437 0.003 2 527 60 60 GLU HG2 H 1.902 0.003 1 528 60 60 GLU HG3 H 1.902 0.003 1 529 60 60 GLU C C 175.490 0.050 1 530 60 60 GLU CA C 55.540 0.050 1 531 60 60 GLU CB C 34.132 0.050 1 532 60 60 GLU N N 123.846 0.318 1 533 61 61 LEU H H 9.139 0.023 1 534 61 61 LEU HA H 4.612 0.008 1 535 61 61 LEU HB2 H 1.569 0.003 1 536 61 61 LEU HB3 H 1.569 0.003 1 537 61 61 LEU HD1 H 0.804 0.003 1 538 61 61 LEU HD2 H 0.804 0.003 1 539 61 61 LEU C C 175.303 0.050 1 540 61 61 LEU CA C 53.266 0.050 1 541 61 61 LEU CB C 45.475 0.050 1 542 61 61 LEU N N 123.744 0.268 1 543 62 62 GLU H H 8.637 0.031 1 544 62 62 GLU HA H 3.757 0.004 1 545 62 62 GLU HB2 H 2.082 0.027 1 546 62 62 GLU HB3 H 2.082 0.027 1 547 62 62 GLU HG2 H 2.132 0.009 1 548 62 62 GLU HG3 H 2.132 0.009 1 549 62 62 GLU C C 176.732 0.050 1 550 62 62 GLU CA C 56.790 0.050 1 551 62 62 GLU CB C 27.256 0.050 1 552 62 62 GLU CG C 35.731 0.050 1 553 62 62 GLU N N 115.765 0.301 1 554 63 63 LYS H H 8.365 0.002 1 555 63 63 LYS HA H 4.237 0.006 1 556 63 63 LYS HB2 H 1.933 0.004 1 557 63 63 LYS HB3 H 1.933 0.004 1 558 63 63 LYS HG2 H 1.388 0.001 2 559 63 63 LYS HG3 H 1.250 0.003 2 560 63 63 LYS HD2 H 1.744 0.003 1 561 63 63 LYS HD3 H 1.744 0.003 1 562 63 63 LYS C C 177.846 0.050 1 563 63 63 LYS CA C 55.589 0.015 1 564 63 63 LYS CB C 32.704 0.050 1 565 63 63 LYS N N 120.610 0.051 1 566 64 64 GLU H H 9.022 0.024 1 567 64 64 GLU HA H 4.006 0.018 1 568 64 64 GLU HB2 H 1.928 0.008 1 569 64 64 GLU HB3 H 1.928 0.008 1 570 64 64 GLU HG2 H 2.246 0.009 1 571 64 64 GLU HG3 H 2.246 0.009 1 572 64 64 GLU C C 175.650 0.050 1 573 64 64 GLU CA C 58.565 0.009 1 574 64 64 GLU CB C 30.394 0.050 1 575 64 64 GLU CG C 36.123 0.050 1 576 64 64 GLU N N 124.971 0.261 1 577 65 65 ASN H H 7.579 0.022 1 578 65 65 ASN HA H 4.788 0.005 1 579 65 65 ASN HB2 H 3.761 0.007 2 580 65 65 ASN HB3 H 2.909 0.007 2 581 65 65 ASN HD21 H 7.755 0.002 2 582 65 65 ASN HD22 H 6.877 0.032 2 583 65 65 ASN CA C 51.510 0.004 1 584 65 65 ASN CB C 38.680 0.050 1 585 65 65 ASN N N 112.711 0.237 1 586 65 65 ASN ND2 N 116.244 0.553 1 587 66 66 PRO HA H 4.206 0.008 1 588 66 66 PRO HB2 H 2.437 0.011 1 589 66 66 PRO HB3 H 2.437 0.011 1 590 66 66 PRO HG2 H 1.844 0.003 1 591 66 66 PRO HG3 H 1.844 0.003 1 592 66 66 PRO HD2 H 3.743 0.003 1 593 66 66 PRO HD3 H 3.743 0.003 1 594 66 66 PRO C C 177.201 0.050 1 595 66 66 PRO CA C 65.738 0.055 1 596 66 66 PRO CB C 32.564 0.097 1 597 66 66 PRO CG C 27.710 0.050 1 598 67 67 LEU H H 7.882 0.024 1 599 67 67 LEU HA H 4.290 0.013 1 600 67 67 LEU HB2 H 1.632 0.014 1 601 67 67 LEU HB3 H 1.632 0.014 1 602 67 67 LEU HG H 1.615 0.004 1 603 67 67 LEU HD1 H 0.880 0.002 2 604 67 67 LEU HD2 H 0.773 0.008 2 605 67 67 LEU C C 177.330 0.050 1 606 67 67 LEU CA C 54.621 0.005 1 607 67 67 LEU CB C 41.745 0.050 1 608 67 67 LEU CG C 27.395 0.050 1 609 67 67 LEU CD1 C 24.933 0.050 2 610 67 67 LEU CD2 C 22.798 0.050 2 611 67 67 LEU N N 114.292 0.244 1 612 68 68 ALA H H 7.564 0.024 1 613 68 68 ALA HA H 4.348 0.003 1 614 68 68 ALA HB H 1.404 0.010 1 615 68 68 ALA C C 176.652 0.050 1 616 68 68 ALA CA C 51.389 0.036 1 617 68 68 ALA CB C 21.349 0.028 1 618 68 68 ALA N N 125.197 0.277 1 619 69 69 LEU H H 8.323 0.026 1 620 69 69 LEU HA H 4.227 0.005 1 621 69 69 LEU HB2 H 1.791 0.003 2 622 69 69 LEU HB3 H 1.348 0.009 2 623 69 69 LEU HG H 1.844 0.011 1 624 69 69 LEU HD1 H 0.833 0.006 1 625 69 69 LEU HD2 H 0.833 0.006 1 626 69 69 LEU CB C 42.673 0.050 1 627 69 69 LEU N N 122.704 0.277 1 628 70 70 GLY H H 9.402 0.025 1 629 70 70 GLY HA2 H 3.623 0.008 2 630 70 70 GLY HA3 H 3.404 0.005 2 631 70 70 GLY C C 171.522 0.050 1 632 70 70 GLY CA C 46.941 0.050 1 633 70 70 GLY N N 113.940 0.289 1 634 71 71 LYS H H 7.508 0.025 1 635 71 71 LYS HA H 4.219 0.007 1 636 71 71 LYS HB2 H 1.959 0.012 1 637 71 71 LYS HB3 H 1.959 0.012 1 638 71 71 LYS HG2 H 1.795 0.005 2 639 71 71 LYS HG3 H 1.627 0.009 2 640 71 71 LYS HD2 H 1.778 0.007 1 641 71 71 LYS HD3 H 1.778 0.007 1 642 71 71 LYS HE2 H 3.055 0.016 1 643 71 71 LYS HE3 H 3.055 0.016 1 644 71 71 LYS C C 175.866 0.050 1 645 71 71 LYS CA C 57.488 0.028 1 646 71 71 LYS CB C 33.149 0.050 1 647 71 71 LYS N N 119.429 0.268 1 648 72 72 VAL H H 7.626 0.027 1 649 72 72 VAL HA H 4.150 0.005 1 650 72 72 VAL HG1 H 0.782 0.009 1 651 72 72 VAL HG2 H 0.782 0.009 1 652 72 72 VAL C C 172.934 0.050 1 653 72 72 VAL CA C 61.951 0.050 1 654 72 72 VAL CB C 34.584 0.050 1 655 72 72 VAL CG1 C 21.089 0.050 1 656 72 72 VAL CG2 C 21.089 0.050 1 657 72 72 VAL N N 117.446 0.362 1 658 73 73 LEU H H 8.418 0.027 1 659 73 73 LEU HA H 5.159 0.008 1 660 73 73 LEU HB2 H 1.484 0.011 2 661 73 73 LEU HB3 H 1.017 0.002 2 662 73 73 LEU HG H 1.340 0.005 1 663 73 73 LEU HD1 H 0.677 0.015 2 664 73 73 LEU HD2 H 0.542 0.009 2 665 73 73 LEU C C 175.390 0.050 1 666 73 73 LEU CA C 52.685 0.050 1 667 73 73 LEU CB C 44.032 0.050 1 668 73 73 LEU N N 125.961 0.307 1 669 74 74 ILE H H 9.220 0.029 1 670 74 74 ILE HA H 5.152 0.006 1 671 74 74 ILE HG12 H 1.307 0.008 1 672 74 74 ILE HG13 H 1.307 0.008 1 673 74 74 ILE HG2 H 0.695 0.011 1 674 74 74 ILE HD1 H 0.609 0.006 1 675 74 74 ILE C C 176.553 0.050 1 676 74 74 ILE CA C 59.234 0.050 1 677 74 74 ILE CB C 39.179 0.050 1 678 74 74 ILE CG2 C 14.514 0.050 1 679 74 74 ILE CD1 C 12.266 0.050 1 680 74 74 ILE N N 122.587 0.368 1 681 75 75 VAL H H 8.687 0.025 1 682 75 75 VAL HA H 4.259 0.003 1 683 75 75 VAL HB H 1.503 0.012 1 684 75 75 VAL HG1 H -0.004 0.006 2 685 75 75 VAL HG2 H 0.465 0.005 2 686 75 75 VAL C C 175.346 0.050 1 687 75 75 VAL CA C 60.787 0.050 1 688 75 75 VAL CB C 34.532 0.050 1 689 75 75 VAL CG1 C 20.229 0.050 1 690 75 75 VAL CG2 C 20.229 0.050 1 691 75 75 VAL N N 126.957 0.336 1 692 76 76 ASP H H 9.490 0.024 1 693 76 76 ASP HA H 4.203 0.012 1 694 76 76 ASP HB2 H 3.122 0.004 2 695 76 76 ASP HB3 H 2.530 0.008 2 696 76 76 ASP C C 175.300 0.050 1 697 76 76 ASP CA C 55.401 0.153 1 698 76 76 ASP CB C 39.757 0.050 1 699 76 76 ASP N N 129.795 0.267 1 700 77 77 ASN H H 8.640 0.023 1 701 77 77 ASN HA H 4.022 0.008 1 702 77 77 ASN HB2 H 3.006 0.007 2 703 77 77 ASN HB3 H 2.865 0.004 2 704 77 77 ASN HD21 H 7.447 0.037 2 705 77 77 ASN HD22 H 6.778 0.003 2 706 77 77 ASN C C 173.573 0.050 1 707 77 77 ASN CA C 55.201 0.073 1 708 77 77 ASN CB C 38.150 0.041 1 709 77 77 ASN N N 108.686 0.239 1 710 77 77 ASN ND2 N 112.915 0.337 1 711 78 78 GLN H H 8.059 0.019 1 712 78 78 GLN HA H 4.420 0.004 1 713 78 78 GLN HB2 H 2.190 0.009 2 714 78 78 GLN HB3 H 1.851 0.014 2 715 78 78 GLN HG2 H 2.311 0.003 2 716 78 78 GLN HG3 H 2.195 0.002 2 717 78 78 GLN HE21 H 7.221 0.038 2 718 78 78 GLN HE22 H 7.156 0.042 2 719 78 78 GLN C C 173.142 0.050 1 720 78 78 GLN CA C 54.638 0.039 1 721 78 78 GLN CB C 31.613 0.050 1 722 78 78 GLN CG C 33.916 0.050 1 723 78 78 GLN N N 120.819 0.223 1 724 78 78 GLN NE2 N 111.653 0.300 1 725 79 79 LYS H H 7.883 0.023 1 726 79 79 LYS HA H 4.581 0.010 1 727 79 79 LYS HB2 H 1.474 0.007 1 728 79 79 LYS HB3 H 1.474 0.007 1 729 79 79 LYS HG2 H 1.291 0.009 2 730 79 79 LYS HG3 H 0.995 0.015 2 731 79 79 LYS HD2 H 1.774 0.006 1 732 79 79 LYS HD3 H 1.774 0.006 1 733 79 79 LYS HE2 H 2.773 0.006 1 734 79 79 LYS HE3 H 2.773 0.006 1 735 79 79 LYS C C 175.358 0.050 1 736 79 79 LYS CA C 56.204 0.050 1 737 79 79 LYS CB C 34.095 0.050 1 738 79 79 LYS N N 120.891 0.271 1 739 80 80 TYR H H 9.375 0.023 1 740 80 80 TYR HA H 4.546 0.007 1 741 80 80 TYR HB2 H 2.925 0.012 2 742 80 80 TYR HB3 H 2.454 0.009 2 743 80 80 TYR HD1 H 6.781 0.012 1 744 80 80 TYR HD2 H 6.781 0.012 1 745 80 80 TYR HE1 H 6.598 0.010 1 746 80 80 TYR HE2 H 6.598 0.010 1 747 80 80 TYR C C 175.058 0.050 1 748 80 80 TYR CA C 56.979 0.050 1 749 80 80 TYR CB C 42.969 0.050 1 750 80 80 TYR N N 122.323 0.238 1 751 81 81 ASN H H 9.099 0.019 1 752 81 81 ASN HA H 4.899 0.011 1 753 81 81 ASN HB2 H 2.942 0.007 2 754 81 81 ASN HB3 H 2.702 0.005 2 755 81 81 ASN HD21 H 7.727 0.039 2 756 81 81 ASN HD22 H 6.912 0.040 2 757 81 81 ASN C C 174.740 0.050 1 758 81 81 ASN CA C 54.532 0.021 1 759 81 81 ASN CB C 40.404 0.011 1 760 81 81 ASN N N 116.248 0.239 1 761 81 81 ASN ND2 N 113.401 0.403 1 762 82 82 ASP H H 7.406 0.021 1 763 82 82 ASP HA H 4.569 0.008 1 764 82 82 ASP HB2 H 3.009 0.011 1 765 82 82 ASP HB3 H 3.009 0.011 1 766 82 82 ASP C C 175.292 0.050 1 767 82 82 ASP CA C 53.262 0.023 1 768 82 82 ASP CB C 41.954 0.050 1 769 82 82 ASP N N 111.422 0.220 1 770 83 83 LEU H H 8.605 0.028 1 771 83 83 LEU HA H 3.715 0.012 1 772 83 83 LEU HB2 H 1.574 0.018 2 773 83 83 LEU HB3 H 0.847 0.003 2 774 83 83 LEU HG H 0.639 0.001 1 775 83 83 LEU HD1 H 0.451 0.011 1 776 83 83 LEU HD2 H 0.451 0.011 1 777 83 83 LEU C C 178.530 0.050 1 778 83 83 LEU CA C 57.878 0.050 1 779 83 83 LEU CB C 41.813 0.050 1 780 83 83 LEU N N 118.261 0.275 1 781 84 84 ASP H H 8.125 0.005 1 782 84 84 ASP HA H 4.527 0.008 1 783 84 84 ASP HB2 H 2.682 0.011 1 784 84 84 ASP HB3 H 2.682 0.011 1 785 84 84 ASP C C 178.138 0.050 1 786 84 84 ASP CA C 58.244 0.050 1 787 84 84 ASP CB C 40.314 0.050 1 788 84 84 ASP N N 118.490 0.030 1 789 85 85 GLN H H 8.547 0.028 1 790 85 85 GLN HA H 4.047 0.011 1 791 85 85 GLN HB2 H 2.263 0.007 1 792 85 85 GLN HB3 H 2.263 0.007 1 793 85 85 GLN HG2 H 2.727 0.010 1 794 85 85 GLN HG3 H 2.727 0.010 1 795 85 85 GLN HE21 H 7.839 0.031 2 796 85 85 GLN HE22 H 6.885 0.001 2 797 85 85 GLN C C 178.707 0.050 1 798 85 85 GLN CA C 59.150 0.050 1 799 85 85 GLN CB C 28.625 0.050 1 800 85 85 GLN CG C 33.999 0.050 1 801 85 85 GLN N N 121.211 0.329 1 802 85 85 GLN NE2 N 112.112 0.449 1 803 86 86 ILE H H 7.101 0.021 1 804 86 86 ILE HA H 2.732 0.011 1 805 86 86 ILE HB H 1.743 0.006 1 806 86 86 ILE HG12 H 0.500 0.006 1 807 86 86 ILE HG13 H 0.500 0.006 1 808 86 86 ILE HG2 H 0.299 0.009 1 809 86 86 ILE HD1 H -0.037 0.014 1 810 86 86 ILE C C 178.501 0.050 1 811 86 86 ILE CA C 65.096 0.121 1 812 86 86 ILE CB C 37.601 0.050 1 813 86 86 ILE CG2 C 17.048 0.050 1 814 86 86 ILE N N 117.211 0.301 1 815 87 87 ILE H H 8.029 0.031 1 816 87 87 ILE HA H 3.153 0.012 1 817 87 87 ILE HB H 2.045 0.015 1 818 87 87 ILE HG12 H 1.416 0.003 1 819 87 87 ILE HG13 H 1.416 0.003 1 820 87 87 ILE HG2 H 0.737 0.008 1 821 87 87 ILE HD1 H 0.694 0.005 1 822 87 87 ILE C C 176.541 0.050 1 823 87 87 ILE CA C 65.575 0.050 1 824 87 87 ILE CB C 37.359 0.050 1 825 87 87 ILE N N 121.973 0.357 1 826 88 88 VAL H H 8.139 0.023 1 827 88 88 VAL HA H 3.661 0.010 1 828 88 88 VAL HB H 1.978 0.006 1 829 88 88 VAL HG1 H 1.020 0.007 2 830 88 88 VAL HG2 H 0.905 0.003 2 831 88 88 VAL C C 177.006 0.050 1 832 88 88 VAL CA C 65.669 0.095 1 833 88 88 VAL CB C 32.913 0.092 1 834 88 88 VAL CG1 C 21.806 0.050 1 835 88 88 VAL CG2 C 21.806 0.050 1 836 88 88 VAL N N 116.780 0.337 1 837 89 89 GLU H H 8.476 0.030 1 838 89 89 GLU HA H 4.243 0.009 1 839 89 89 GLU HB2 H 2.240 0.045 1 840 89 89 GLU HB3 H 2.240 0.045 1 841 89 89 GLU HG2 H 2.525 0.010 1 842 89 89 GLU HG3 H 2.525 0.010 1 843 89 89 GLU C C 178.024 0.050 1 844 89 89 GLU CA C 58.136 0.038 1 845 89 89 GLU CB C 30.379 0.050 1 846 89 89 GLU CG C 36.426 0.050 1 847 89 89 GLU N N 115.305 0.313 1 848 90 90 TYR H H 7.683 0.028 1 849 90 90 TYR HA H 4.489 0.001 1 850 90 90 TYR HB2 H 3.341 0.004 1 851 90 90 TYR HB3 H 3.341 0.004 1 852 90 90 TYR HD1 H 6.772 0.004 1 853 90 90 TYR HD2 H 6.772 0.004 1 854 90 90 TYR HE1 H 6.599 0.011 1 855 90 90 TYR HE2 H 6.599 0.011 1 856 90 90 TYR C C 176.117 0.050 1 857 90 90 TYR CA C 59.992 0.050 1 858 90 90 TYR CB C 38.286 0.050 1 859 90 90 TYR N N 119.980 0.340 1 860 91 91 LEU H H 8.366 0.026 1 861 91 91 LEU HA H 3.236 0.013 1 862 91 91 LEU HD1 H -0.064 0.005 2 863 91 91 LEU HD2 H -0.390 0.008 2 864 91 91 LEU C C 178.493 0.050 1 865 91 91 LEU CA C 58.439 0.050 1 866 91 91 LEU CB C 41.879 0.050 1 867 91 91 LEU N N 121.163 0.377 1 868 92 92 GLN H H 8.732 0.023 1 869 92 92 GLN HA H 3.698 0.014 1 870 92 92 GLN HB2 H 2.343 0.007 2 871 92 92 GLN HB3 H 1.973 0.010 2 872 92 92 GLN HG2 H 2.479 0.003 2 873 92 92 GLN HG3 H 2.345 0.002 2 874 92 92 GLN HE21 H 7.116 0.034 2 875 92 92 GLN HE22 H 6.824 0.043 2 876 92 92 GLN C C 179.295 0.050 1 877 92 92 GLN CA C 59.577 0.007 1 878 92 92 GLN CB C 27.420 0.050 1 879 92 92 GLN CG C 34.706 0.050 1 880 92 92 GLN N N 115.719 0.320 1 881 92 92 GLN NE2 N 109.787 0.427 1 882 93 93 ASN H H 6.228 0.024 1 883 93 93 ASN HA H 4.590 0.012 1 884 93 93 ASN HB2 H 2.873 0.006 1 885 93 93 ASN HB3 H 2.873 0.006 1 886 93 93 ASN HD21 H 8.015 0.038 2 887 93 93 ASN HD22 H 7.222 0.035 2 888 93 93 ASN C C 176.248 0.050 1 889 93 93 ASN CA C 56.313 0.050 1 890 93 93 ASN CB C 39.575 0.050 1 891 93 93 ASN N N 115.060 0.263 1 892 93 93 ASN ND2 N 116.894 0.500 1 893 94 94 LYS H H 7.221 0.005 1 894 94 94 LYS HA H 3.683 0.011 1 895 94 94 LYS HB2 H 1.244 0.007 1 896 94 94 LYS HB3 H 1.244 0.007 1 897 94 94 LYS HG2 H 0.974 0.009 1 898 94 94 LYS HG3 H 0.974 0.009 1 899 94 94 LYS HD2 H 1.805 0.014 1 900 94 94 LYS HD3 H 1.805 0.014 1 901 94 94 LYS HE2 H 2.468 0.003 1 902 94 94 LYS HE3 H 2.468 0.003 1 903 94 94 LYS C C 178.049 0.050 1 904 94 94 LYS CA C 61.669 0.050 1 905 94 94 LYS CB C 32.665 0.050 1 906 94 94 LYS N N 120.264 0.052 1 907 95 95 VAL H H 8.107 0.008 1 908 95 95 VAL HA H 3.432 0.007 1 909 95 95 VAL HB H 1.968 0.011 1 910 95 95 VAL HG1 H 0.806 0.003 1 911 95 95 VAL HG2 H 0.806 0.003 1 912 95 95 VAL C C 177.523 0.050 1 913 95 95 VAL CA C 67.204 0.091 1 914 95 95 VAL CB C 31.687 0.050 1 915 95 95 VAL CG1 C 21.861 0.050 1 916 95 95 VAL CG2 C 21.861 0.050 1 917 95 95 VAL N N 118.443 0.053 1 918 96 96 ARG H H 7.865 0.035 1 919 96 96 ARG HA H 4.098 0.010 1 920 96 96 ARG HB2 H 1.933 0.003 1 921 96 96 ARG HB3 H 1.933 0.003 1 922 96 96 ARG HD2 H 3.092 0.003 1 923 96 96 ARG HD3 H 3.092 0.003 1 924 96 96 ARG C C 179.752 0.050 1 925 96 96 ARG CA C 59.780 0.050 1 926 96 96 ARG CB C 29.773 0.050 1 927 96 96 ARG N N 121.313 0.398 1 928 97 97 LEU H H 8.155 0.034 1 929 97 97 LEU HA H 4.108 0.016 1 930 97 97 LEU HD1 H 0.280 0.007 1 931 97 97 LEU HD2 H 0.280 0.007 1 932 97 97 LEU C C 181.506 0.050 1 933 97 97 LEU CA C 57.309 0.050 1 934 97 97 LEU CB C 42.103 0.050 1 935 97 97 LEU N N 120.500 0.399 1 936 98 98 LEU H H 8.851 0.029 1 937 98 98 LEU HA H 4.269 0.013 1 938 98 98 LEU HB2 H 1.750 0.010 1 939 98 98 LEU HB3 H 1.750 0.010 1 940 98 98 LEU HD1 H 0.269 0.015 1 941 98 98 LEU HD2 H 0.269 0.015 1 942 98 98 LEU C C 177.412 0.050 1 943 98 98 LEU CA C 59.104 0.050 1 944 98 98 LEU CB C 41.591 0.050 1 945 98 98 LEU N N 127.429 0.336 1 946 99 99 ASN H H 8.479 0.005 1 947 99 99 ASN HA H 4.473 0.012 1 948 99 99 ASN HB2 H 2.867 0.011 2 949 99 99 ASN HB3 H 2.713 0.005 2 950 99 99 ASN HD21 H 7.368 0.038 2 951 99 99 ASN HD22 H 6.974 0.051 2 952 99 99 ASN C C 177.935 0.050 1 953 99 99 ASN CA C 55.637 0.050 1 954 99 99 ASN CB C 37.860 0.050 1 955 99 99 ASN N N 118.474 0.089 1 956 99 99 ASN ND2 N 113.531 0.009 1 957 100 100 GLU H H 8.538 0.026 1 958 100 100 GLU HA H 3.877 0.011 1 959 100 100 GLU HB2 H 2.165 0.010 1 960 100 100 GLU HB3 H 2.165 0.010 1 961 100 100 GLU HG2 H 2.419 0.017 1 962 100 100 GLU HG3 H 2.419 0.017 1 963 100 100 GLU C C 178.162 0.050 1 964 100 100 GLU CA C 59.640 0.045 1 965 100 100 GLU CB C 29.400 0.050 1 966 100 100 GLU CG C 36.367 0.050 1 967 100 100 GLU N N 122.600 0.360 1 968 101 101 MET H H 7.344 0.023 1 969 101 101 MET HA H 4.196 0.012 1 970 101 101 MET HB2 H 2.156 0.003 1 971 101 101 MET HB3 H 2.156 0.003 1 972 101 101 MET HG2 H 2.433 0.006 1 973 101 101 MET HG3 H 2.433 0.006 1 974 101 101 MET HE H -0.022 0.008 1 975 101 101 MET C C 178.043 0.050 1 976 101 101 MET CA C 57.602 0.050 1 977 101 101 MET N N 116.686 0.304 1 978 102 102 THR H H 8.419 0.026 1 979 102 102 THR HA H 2.852 0.014 1 980 102 102 THR HB H 3.923 0.004 1 981 102 102 THR HG2 H 0.575 0.006 1 982 102 102 THR C C 175.717 0.050 1 983 102 102 THR CA C 64.091 0.050 1 984 102 102 THR CB C 67.990 0.050 1 985 102 102 THR CG2 C 20.621 0.050 1 986 102 102 THR N N 108.753 0.317 1 987 103 103 SER H H 7.395 0.025 1 988 103 103 SER HA H 4.533 0.010 1 989 103 103 SER HB2 H 3.939 0.001 1 990 103 103 SER HB3 H 3.939 0.001 1 991 103 103 SER C C 174.150 0.050 1 992 103 103 SER CA C 58.722 0.027 1 993 103 103 SER CB C 64.136 0.050 1 994 103 103 SER N N 114.896 0.352 1 995 104 104 SER H H 7.527 0.061 1 996 104 104 SER HA H 4.421 0.006 1 997 104 104 SER HB2 H 4.178 0.012 2 998 104 104 SER HB3 H 4.086 0.001 2 999 104 104 SER HG H 5.731 0.006 1 1000 104 104 SER C C 176.744 0.050 1 1001 104 104 SER CA C 58.737 0.058 1 1002 104 104 SER CB C 64.290 0.050 1 1003 104 104 SER N N 118.105 0.311 1 1004 105 105 GLU H H 9.162 0.022 1 1005 105 105 GLU HA H 4.411 0.007 1 1006 105 105 GLU HB2 H 2.174 0.006 1 1007 105 105 GLU HB3 H 2.174 0.006 1 1008 105 105 GLU HG2 H 2.342 0.008 1 1009 105 105 GLU HG3 H 2.342 0.008 1 1010 105 105 GLU C C 177.355 0.050 1 1011 105 105 GLU CA C 58.534 0.004 1 1012 105 105 GLU CB C 29.114 0.050 1 1013 105 105 GLU CG C 35.905 0.050 1 1014 105 105 GLU N N 125.953 0.245 1 1015 106 106 LYS H H 8.370 0.020 1 1016 106 106 LYS HA H 4.407 0.008 1 1017 106 106 LYS HB2 H 2.079 0.026 2 1018 106 106 LYS HB3 H 1.769 0.007 2 1019 106 106 LYS HG2 H 1.299 0.011 1 1020 106 106 LYS HG3 H 1.299 0.011 1 1021 106 106 LYS HE2 H 2.585 0.005 2 1022 106 106 LYS HE3 H 2.448 0.009 2 1023 106 106 LYS C C 174.296 0.050 1 1024 106 106 LYS CA C 54.187 0.050 1 1025 106 106 LYS CB C 31.433 0.050 1 1026 106 106 LYS N N 116.718 0.229 1 1027 107 107 PHE H H 7.664 0.020 1 1028 107 107 PHE HA H 5.105 0.010 1 1029 107 107 PHE HB2 H 3.051 0.022 1 1030 107 107 PHE HB3 H 3.051 0.022 1 1031 107 107 PHE HD1 H 7.025 0.016 1 1032 107 107 PHE HD2 H 7.025 0.016 1 1033 107 107 PHE HE1 H 6.795 0.016 1 1034 107 107 PHE HE2 H 6.795 0.016 1 1035 107 107 PHE C C 174.357 0.050 1 1036 107 107 PHE CA C 57.485 0.050 1 1037 107 107 PHE CB C 41.605 0.050 1 1038 107 107 PHE N N 121.441 0.303 1 1039 108 108 LYS H H 8.288 0.021 1 1040 108 108 LYS HA H 4.375 0.014 1 1041 108 108 LYS HB2 H 1.368 0.011 2 1042 108 108 LYS HB3 H 1.098 0.012 2 1043 108 108 LYS HG2 H 0.796 0.003 2 1044 108 108 LYS HG3 H 0.682 0.004 2 1045 108 108 LYS HD2 H 1.801 0.004 1 1046 108 108 LYS HD3 H 1.801 0.004 1 1047 108 108 LYS HE2 H 2.550 0.007 2 1048 108 108 LYS HE3 H 2.500 0.006 2 1049 108 108 LYS C C 174.129 0.050 1 1050 108 108 LYS CA C 52.421 0.107 1 1051 108 108 LYS CB C 34.203 0.059 1 1052 108 108 LYS CG C 25.085 0.050 1 1053 108 108 LYS N N 127.915 0.304 1 1054 109 109 SER H H 8.106 0.027 1 1055 109 109 SER HA H 4.314 0.006 1 1056 109 109 SER HB2 H 3.984 0.006 1 1057 109 109 SER HB3 H 3.984 0.006 1 1058 109 109 SER C C 173.295 0.050 1 1059 109 109 SER CA C 58.389 0.019 1 1060 109 109 SER CB C 64.069 0.050 1 1061 109 109 SER N N 118.071 0.268 1 1062 110 110 GLY H H 8.009 0.022 1 1063 110 110 GLY HA2 H 4.584 0.008 2 1064 110 110 GLY HA3 H 3.966 0.008 2 1065 110 110 GLY C C 175.478 0.050 1 1066 110 110 GLY CA C 43.669 0.176 1 1067 110 110 GLY N N 108.682 0.221 1 1068 111 111 THR H H 8.729 0.024 1 1069 111 111 THR HA H 4.459 0.009 1 1070 111 111 THR HB H 4.551 0.010 1 1071 111 111 THR HG2 H 1.094 0.003 1 1072 111 111 THR C C 175.232 0.050 1 1073 111 111 THR CA C 61.118 0.050 1 1074 111 111 THR CB C 70.936 0.050 1 1075 111 111 THR CG2 C 21.579 0.050 1 1076 111 111 THR N N 111.022 0.269 1 1077 112 112 LYS H H 8.712 0.025 1 1078 112 112 LYS HA H 3.751 0.010 1 1079 112 112 LYS HB2 H 1.912 0.004 2 1080 112 112 LYS HB3 H 1.748 0.003 2 1081 112 112 LYS HG2 H 1.108 0.006 1 1082 112 112 LYS HG3 H 1.108 0.006 1 1083 112 112 LYS HD2 H 1.354 0.005 1 1084 112 112 LYS HD3 H 1.354 0.005 1 1085 112 112 LYS HE2 H 2.523 0.001 1 1086 112 112 LYS HE3 H 2.523 0.001 1 1087 112 112 LYS C C 177.937 0.050 1 1088 112 112 LYS CA C 60.938 0.047 1 1089 112 112 LYS CB C 32.698 0.024 1 1090 112 112 LYS CG C 24.843 0.050 1 1091 112 112 LYS CD C 29.100 0.050 1 1092 112 112 LYS N N 122.805 0.257 1 1093 113 113 LYS H H 8.043 0.023 1 1094 113 113 LYS HA H 3.842 0.009 1 1095 113 113 LYS HB2 H 1.699 0.015 1 1096 113 113 LYS HB3 H 1.699 0.015 1 1097 113 113 LYS HG2 H 1.388 0.012 1 1098 113 113 LYS HG3 H 1.388 0.012 1 1099 113 113 LYS HD2 H 0.898 0.003 1 1100 113 113 LYS HD3 H 0.898 0.003 1 1101 113 113 LYS HE2 H 2.901 0.009 2 1102 113 113 LYS HE3 H 2.542 0.003 2 1103 113 113 LYS C C 178.937 0.050 1 1104 113 113 LYS CA C 59.529 0.046 1 1105 113 113 LYS CB C 32.158 0.050 1 1106 113 113 LYS CG C 24.954 0.050 1 1107 113 113 LYS CD C 29.287 0.050 1 1108 113 113 LYS CE C 41.991 0.050 1 1109 113 113 LYS N N 115.151 0.217 1 1110 114 114 ASP H H 7.342 0.028 1 1111 114 114 ASP HA H 4.331 0.012 1 1112 114 114 ASP HB2 H 2.880 0.009 2 1113 114 114 ASP HB3 H 2.608 0.003 2 1114 114 114 ASP C C 178.617 0.050 1 1115 114 114 ASP CA C 57.193 0.026 1 1116 114 114 ASP CB C 40.409 0.004 1 1117 114 114 ASP N N 119.964 0.287 1 1118 115 115 VAL H H 8.055 0.027 1 1119 115 115 VAL HA H 3.471 0.012 1 1120 115 115 VAL HB H 1.922 0.008 1 1121 115 115 VAL HG1 H 0.816 0.005 2 1122 115 115 VAL HG2 H 0.724 0.006 2 1123 115 115 VAL C C 177.591 0.050 1 1124 115 115 VAL CA C 67.180 0.080 1 1125 115 115 VAL CB C 31.429 0.050 1 1126 115 115 VAL N N 123.209 0.306 1 1127 116 116 VAL H H 8.431 0.027 1 1128 116 116 VAL HA H 3.382 0.008 1 1129 116 116 VAL HB H 1.946 0.008 1 1130 116 116 VAL HG1 H 0.824 0.005 1 1131 116 116 VAL HG2 H 0.824 0.005 1 1132 116 116 VAL C C 177.447 0.050 1 1133 116 116 VAL CA C 67.415 0.111 1 1134 116 116 VAL CB C 31.564 0.050 1 1135 116 116 VAL CG1 C 21.465 0.050 1 1136 116 116 VAL CG2 C 21.465 0.050 1 1137 116 116 VAL N N 120.879 0.366 1 1138 117 117 LYS H H 7.281 0.028 1 1139 117 117 LYS HA H 3.968 0.011 1 1140 117 117 LYS HB2 H 1.873 0.012 1 1141 117 117 LYS HB3 H 1.873 0.012 1 1142 117 117 LYS HG2 H 1.421 0.011 1 1143 117 117 LYS HG3 H 1.421 0.011 1 1144 117 117 LYS HD2 H 1.725 0.006 1 1145 117 117 LYS HD3 H 1.725 0.006 1 1146 117 117 LYS HE2 H 3.004 0.014 1 1147 117 117 LYS HE3 H 3.004 0.014 1 1148 117 117 LYS C C 177.879 0.050 1 1149 117 117 LYS CA C 59.418 0.050 1 1150 117 117 LYS CB C 31.826 0.252 1 1151 117 117 LYS CG C 25.095 0.050 1 1152 117 117 LYS CD C 28.944 0.050 1 1153 117 117 LYS CE C 42.079 0.050 1 1154 117 117 LYS N N 118.046 0.303 1 1155 118 118 PHE H H 7.667 0.026 1 1156 118 118 PHE HA H 4.250 0.011 1 1157 118 118 PHE HB2 H 3.143 0.015 1 1158 118 118 PHE HB3 H 3.143 0.015 1 1159 118 118 PHE HD1 H 6.955 0.013 1 1160 118 118 PHE HD2 H 6.955 0.013 1 1161 118 118 PHE HE1 H 7.026 0.009 1 1162 118 118 PHE HE2 H 7.026 0.009 1 1163 118 118 PHE C C 178.389 0.050 1 1164 118 118 PHE CA C 61.411 0.050 1 1165 118 118 PHE CB C 38.870 0.096 1 1166 118 118 PHE N N 118.450 0.283 1 1167 119 119 ILE H H 8.537 0.028 1 1168 119 119 ILE HA H 3.442 0.009 1 1169 119 119 ILE HB H 1.924 0.004 1 1170 119 119 ILE HG12 H 1.379 0.015 1 1171 119 119 ILE HG13 H 1.379 0.015 1 1172 119 119 ILE HG2 H 0.805 0.005 1 1173 119 119 ILE HD1 H 0.807 0.005 1 1174 119 119 ILE C C 177.526 0.050 1 1175 119 119 ILE CA C 66.087 0.050 1 1176 119 119 ILE CB C 37.589 0.050 1 1177 119 119 ILE CG2 C 17.373 0.050 1 1178 119 119 ILE N N 120.683 0.391 1 1179 120 120 GLU H H 8.718 0.031 1 1180 120 120 GLU HA H 3.985 0.008 1 1181 120 120 GLU HB2 H 1.957 0.006 1 1182 120 120 GLU HB3 H 1.957 0.006 1 1183 120 120 GLU HG2 H 2.375 0.012 1 1184 120 120 GLU HG3 H 2.375 0.012 1 1185 120 120 GLU C C 175.119 0.050 1 1186 120 120 GLU CA C 59.816 0.005 1 1187 120 120 GLU CB C 29.362 0.050 1 1188 120 120 GLU CG C 36.088 0.050 1 1189 120 120 GLU N N 120.596 0.342 1 1190 121 121 ASP H H 8.513 0.007 1 1191 121 121 ASP HA H 4.318 0.015 1 1192 121 121 ASP HB2 H 2.724 0.012 2 1193 121 121 ASP HB3 H 2.517 0.009 2 1194 121 121 ASP C C 178.347 0.050 1 1195 121 121 ASP CA C 57.305 0.050 1 1196 121 121 ASP CB C 39.935 0.050 1 1197 121 121 ASP N N 120.685 0.083 1 1198 122 122 TYR H H 8.210 0.022 1 1199 122 122 TYR HA H 3.869 0.004 1 1200 122 122 TYR HB2 H 2.269 0.004 1 1201 122 122 TYR HB3 H 2.269 0.004 1 1202 122 122 TYR HD1 H 6.904 0.009 1 1203 122 122 TYR HD2 H 6.904 0.009 1 1204 122 122 TYR HE1 H 6.726 0.009 1 1205 122 122 TYR HE2 H 6.726 0.009 1 1206 122 122 TYR C C 178.744 0.050 1 1207 122 122 TYR CA C 61.916 0.050 1 1208 122 122 TYR CB C 38.487 0.024 1 1209 122 122 TYR N N 121.771 0.247 1 1210 123 123 SER H H 8.722 0.020 1 1211 123 123 SER HA H 4.092 0.014 1 1212 123 123 SER HB2 H 3.851 0.008 1 1213 123 123 SER HB3 H 3.851 0.008 1 1214 123 123 SER C C 175.690 0.050 1 1215 123 123 SER CA C 60.313 0.017 1 1216 123 123 SER CB C 63.811 0.050 1 1217 123 123 SER N N 114.491 0.252 1 1218 124 124 ARG H H 7.559 0.003 1 1219 124 124 ARG HA H 3.916 0.007 1 1220 124 124 ARG HB2 H 1.916 0.009 1 1221 124 124 ARG HB3 H 1.916 0.009 1 1222 124 124 ARG HG2 H 1.730 0.004 2 1223 124 124 ARG HG3 H 1.588 0.004 2 1224 124 124 ARG HD2 H 3.212 0.009 1 1225 124 124 ARG HD3 H 3.212 0.009 1 1226 124 124 ARG C C 178.297 0.050 1 1227 124 124 ARG CA C 59.030 0.050 1 1228 124 124 ARG CB C 30.299 0.224 1 1229 124 124 ARG CG C 27.673 0.050 1 1230 124 124 ARG CD C 43.237 0.050 1 1231 124 124 ARG N N 117.036 0.035 1 1232 125 125 VAL H H 6.898 0.023 1 1233 125 125 VAL HA H 4.013 0.006 1 1234 125 125 VAL HB H 2.014 0.021 1 1235 125 125 VAL HG1 H 0.846 0.009 1 1236 125 125 VAL HG2 H 0.846 0.009 1 1237 125 125 VAL C C 175.041 0.050 1 1238 125 125 VAL CA C 62.711 0.007 1 1239 125 125 VAL CB C 31.724 0.066 1 1240 125 125 VAL N N 112.059 0.238 1 1241 126 126 ASN H H 7.406 0.024 1 1242 126 126 ASN HA H 5.078 0.006 1 1243 126 126 ASN HB2 H 3.571 0.011 2 1244 126 126 ASN HB3 H 3.221 0.009 2 1245 126 126 ASN HD21 H 6.763 0.031 2 1246 126 126 ASN HD22 H 6.045 0.029 2 1247 126 126 ASN CA C 51.371 0.050 1 1248 126 126 ASN N N 118.927 0.241 1 1249 126 126 ASN ND2 N 117.681 0.375 1 1250 127 127 PRO HA H 4.718 0.014 1 1251 127 127 PRO HB2 H 2.197 0.011 1 1252 127 127 PRO HB3 H 2.197 0.011 1 1253 127 127 PRO HG2 H 1.935 0.006 1 1254 127 127 PRO HG3 H 1.935 0.006 1 1255 127 127 PRO C C 177.458 0.050 1 1256 127 127 PRO CA C 65.289 0.050 1 1257 127 127 PRO CB C 32.809 0.050 1 1258 127 127 PRO CG C 27.205 0.050 1 1259 127 127 PRO CD C 49.770 0.050 1 1260 128 128 ASN H H 8.493 0.023 1 1261 128 128 ASN HA H 5.028 0.005 1 1262 128 128 ASN HB2 H 2.978 0.006 2 1263 128 128 ASN HB3 H 2.744 0.005 2 1264 128 128 ASN HD21 H 7.537 0.003 2 1265 128 128 ASN HD22 H 6.954 0.039 2 1266 128 128 ASN C C 174.691 0.050 1 1267 128 128 ASN CA C 52.661 0.048 1 1268 128 128 ASN CB C 38.960 0.022 1 1269 128 128 ASN N N 115.786 0.266 1 1270 128 128 ASN ND2 N 113.415 0.377 1 1271 129 129 LYS H H 7.383 0.024 1 1272 129 129 LYS HA H 4.689 0.004 1 1273 129 129 LYS HB2 H 1.957 0.007 2 1274 129 129 LYS HB3 H 1.733 0.010 2 1275 129 129 LYS HG2 H 1.433 0.009 1 1276 129 129 LYS HG3 H 1.433 0.009 1 1277 129 129 LYS HD2 H 1.639 0.003 1 1278 129 129 LYS HD3 H 1.639 0.003 1 1279 129 129 LYS HE2 H 2.956 0.003 1 1280 129 129 LYS HE3 H 2.956 0.003 1 1281 129 129 LYS C C 174.895 0.050 1 1282 129 129 LYS CA C 55.130 0.050 1 1283 129 129 LYS CB C 35.070 0.030 1 1284 129 129 LYS CG C 24.937 0.050 1 1285 129 129 LYS CE C 42.178 0.050 1 1286 129 129 LYS N N 119.802 0.241 1 1287 130 130 SER H H 8.285 0.003 1 1288 130 130 SER HA H 4.754 0.010 1 1289 130 130 SER HB2 H 4.002 0.013 2 1290 130 130 SER HB3 H 3.900 0.007 2 1291 130 130 SER C C 174.204 0.050 1 1292 130 130 SER CA C 57.384 0.050 1 1293 130 130 SER CB C 64.376 0.050 1 1294 130 130 SER N N 117.150 0.077 1 1295 131 131 VAL H H 8.342 0.025 1 1296 131 131 VAL HA H 4.424 0.007 1 1297 131 131 VAL HB H 1.946 0.012 1 1298 131 131 VAL HG1 H 0.929 0.010 2 1299 131 131 VAL HG2 H 0.618 0.008 2 1300 131 131 VAL C C 172.259 0.050 1 1301 131 131 VAL CA C 60.139 0.050 1 1302 131 131 VAL CB C 34.364 0.077 1 1303 131 131 VAL CG1 C 20.968 0.050 1 1304 131 131 VAL CG2 C 20.968 0.050 1 1305 131 131 VAL N N 119.990 0.258 1 1306 132 132 TYR H H 7.222 0.003 1 1307 132 132 TYR HA H 5.610 0.033 1 1308 132 132 TYR HB2 H 2.472 0.004 2 1309 132 132 TYR HB3 H 2.299 0.006 2 1310 132 132 TYR HD1 H 6.660 0.008 1 1311 132 132 TYR HD2 H 6.660 0.008 1 1312 132 132 TYR HE1 H 6.894 0.015 1 1313 132 132 TYR HE2 H 6.894 0.015 1 1314 132 132 TYR C C 171.497 0.050 1 1315 132 132 TYR CA C 55.673 0.050 1 1316 132 132 TYR CB C 42.338 0.050 1 1317 132 132 TYR N N 120.341 0.036 1 1318 133 133 TYR H H 8.376 0.020 1 1319 133 133 TYR HA H 4.745 0.007 1 1320 133 133 TYR HB2 H 2.723 0.012 1 1321 133 133 TYR HB3 H 2.723 0.012 1 1322 133 133 TYR HD1 H 6.763 0.011 1 1323 133 133 TYR HD2 H 6.763 0.011 1 1324 133 133 TYR HE1 H 6.606 0.014 1 1325 133 133 TYR HE2 H 6.606 0.014 1 1326 133 133 TYR C C 174.165 0.050 1 1327 133 133 TYR CA C 57.150 0.050 1 1328 133 133 TYR CB C 44.984 0.050 1 1329 133 133 TYR N N 115.014 0.290 1 1330 134 134 PHE H H 8.994 0.028 1 1331 134 134 PHE HA H 5.099 0.014 1 1332 134 134 PHE HB2 H 3.026 0.016 2 1333 134 134 PHE HB3 H 2.893 0.007 2 1334 134 134 PHE HD1 H 7.012 0.010 1 1335 134 134 PHE HD2 H 7.012 0.010 1 1336 134 134 PHE HE1 H 6.126 0.020 1 1337 134 134 PHE HE2 H 6.126 0.020 1 1338 134 134 PHE C C 174.737 0.050 1 1339 134 134 PHE CA C 55.530 0.050 1 1340 134 134 PHE CB C 44.001 0.050 1 1341 134 134 PHE N N 118.133 0.336 1 1342 135 135 SER H H 9.186 0.019 1 1343 135 135 SER HA H 4.673 0.014 1 1344 135 135 SER HB2 H 3.733 0.013 1 1345 135 135 SER HB3 H 3.733 0.013 1 1346 135 135 SER C C 175.436 0.050 1 1347 135 135 SER CA C 58.516 0.033 1 1348 135 135 SER CB C 66.300 0.050 1 1349 135 135 SER N N 112.495 0.318 1 1350 136 136 LEU H H 9.799 0.032 1 1351 136 136 LEU HA H 4.344 0.008 1 1352 136 136 LEU HB2 H 1.818 0.010 1 1353 136 136 LEU HB3 H 1.818 0.010 1 1354 136 136 LEU HG H 1.018 0.003 1 1355 136 136 LEU HD1 H 0.898 0.006 2 1356 136 136 LEU HD2 H 0.651 0.007 2 1357 136 136 LEU C C 175.540 0.050 1 1358 136 136 LEU CA C 56.495 0.050 1 1359 136 136 LEU CB C 43.128 0.050 1 1360 136 136 LEU N N 123.368 0.270 1 1361 137 137 ASN H H 7.556 0.021 1 1362 137 137 ASN HB2 H 2.831 0.003 1 1363 137 137 ASN HB3 H 2.831 0.003 1 1364 137 137 ASN CA C 57.043 0.050 1 1365 137 137 ASN CB C 43.379 0.050 1 1366 137 137 ASN N N 118.996 0.297 1 1367 138 138 HIS HA H 4.188 0.002 1 1368 138 138 HIS C C 174.341 0.050 1 1369 139 139 ASP H H 8.437 0.030 1 1370 139 139 ASP HA H 4.662 0.007 1 1371 139 139 ASP HB2 H 2.749 0.005 1 1372 139 139 ASP HB3 H 2.749 0.005 1 1373 139 139 ASP C C 175.779 0.050 1 1374 139 139 ASP CA C 55.591 0.059 1 1375 139 139 ASP CB C 41.710 0.086 1 1376 139 139 ASP N N 117.913 0.273 1 1377 140 140 ASN H H 6.888 0.021 1 1378 140 140 ASN HA H 4.994 0.011 1 1379 140 140 ASN HB2 H 2.485 0.010 2 1380 140 140 ASN HB3 H 2.054 0.007 2 1381 140 140 ASN HD21 H 6.396 0.049 2 1382 140 140 ASN HD22 H 5.860 0.044 2 1383 140 140 ASN CA C 49.070 0.040 1 1384 140 140 ASN CB C 38.432 0.050 1 1385 140 140 ASN N N 118.029 0.281 1 1386 140 140 ASN ND2 N 108.970 0.532 1 1387 141 141 PRO HA H 3.998 0.007 1 1388 141 141 PRO HB2 H 1.837 0.005 1 1389 141 141 PRO HB3 H 1.837 0.005 1 1390 141 141 PRO HD2 H 3.769 0.005 2 1391 141 141 PRO HD3 H 3.548 0.007 2 1392 141 141 PRO C C 177.718 0.050 1 1393 141 141 PRO CA C 63.780 0.050 1 1394 142 142 GLY H H 8.859 0.026 1 1395 142 142 GLY HA2 H 4.647 0.003 1 1396 142 142 GLY HA3 H 4.647 0.003 1 1397 142 142 GLY C C 171.573 0.050 1 1398 142 142 GLY CA C 44.514 0.050 1 1399 142 142 GLY N N 111.199 0.391 1 1400 143 143 TRP H H 7.952 0.029 1 1401 143 143 TRP HA H 5.196 0.017 1 1402 143 143 TRP HB2 H 2.966 0.003 2 1403 143 143 TRP HB3 H 2.877 0.003 2 1404 143 143 TRP HD1 H 6.775 0.003 1 1405 143 143 TRP HE1 H 10.180 0.131 1 1406 143 143 TRP C C 176.026 0.050 1 1407 143 143 TRP CA C 56.145 0.050 1 1408 143 143 TRP CB C 30.831 0.050 1 1409 143 143 TRP N N 119.821 0.425 1 1410 144 144 PHE H H 10.389 0.046 1 1411 144 144 PHE HA H 5.550 0.029 1 1412 144 144 PHE HD1 H 7.190 0.013 1 1413 144 144 PHE HD2 H 7.190 0.013 1 1414 144 144 PHE HE1 H 7.088 0.024 1 1415 144 144 PHE HE2 H 7.088 0.024 1 1416 144 144 PHE C C 178.030 0.050 1 1417 144 144 PHE CA C 56.041 0.050 1 1418 144 144 PHE CB C 41.807 0.050 1 1419 144 144 PHE N N 118.792 0.380 1 1420 145 145 TYR H H 9.689 0.022 1 1421 145 145 TYR HA H 3.759 0.001 1 1422 145 145 TYR HB2 H 3.197 0.016 2 1423 145 145 TYR HB3 H 2.908 0.003 2 1424 145 145 TYR HD1 H 7.152 0.024 1 1425 145 145 TYR HD2 H 7.152 0.024 1 1426 145 145 TYR HE1 H 7.000 0.022 1 1427 145 145 TYR HE2 H 7.000 0.022 1 1428 145 145 TYR C C 174.689 0.050 1 1429 145 145 TYR CA C 57.823 0.050 1 1430 145 145 TYR N N 124.080 0.287 1 1431 146 146 LEU H H 9.060 0.006 1 1432 146 146 LEU HA H 4.880 0.019 1 1433 146 146 LEU HB2 H 1.337 0.003 1 1434 146 146 LEU HB3 H 1.337 0.003 1 1435 146 146 LEU HG H 1.087 0.006 1 1436 146 146 LEU HD1 H 0.077 0.013 2 1437 146 146 LEU HD2 H -0.200 0.012 2 1438 146 146 LEU C C 174.668 0.050 1 1439 146 146 LEU CA C 54.365 0.050 1 1440 146 146 LEU CB C 43.828 0.050 1 1441 146 146 LEU CG C 26.893 0.050 1 1442 146 146 LEU N N 125.145 0.066 1 1443 147 147 MET H H 8.673 0.024 1 1444 147 147 MET HA H 5.677 0.017 1 1445 147 147 MET HB2 H 1.825 0.011 1 1446 147 147 MET HB3 H 1.825 0.011 1 1447 147 147 MET HG2 H 2.734 0.004 1 1448 147 147 MET HG3 H 2.734 0.004 1 1449 147 147 MET HE H -0.182 0.047 1 1450 147 147 MET C C 174.747 0.050 1 1451 147 147 MET CA C 54.029 0.050 1 1452 147 147 MET CB C 36.637 0.050 1 1453 147 147 MET N N 125.113 0.295 1 1454 148 148 PHE H H 8.751 0.028 1 1455 148 148 PHE HA H 5.739 0.067 1 1456 148 148 PHE HB2 H 2.936 0.006 1 1457 148 148 PHE HB3 H 2.936 0.006 1 1458 148 148 PHE HD1 H 6.472 0.024 1 1459 148 148 PHE HD2 H 6.472 0.024 1 1460 148 148 PHE HE1 H 5.939 0.014 1 1461 148 148 PHE HE2 H 5.939 0.014 1 1462 148 148 PHE C C 173.034 0.050 1 1463 148 148 PHE CA C 55.657 0.050 1 1464 148 148 PHE CB C 41.544 0.050 1 1465 148 148 PHE N N 116.227 0.339 1 1466 149 149 LYS H H 8.477 0.008 1 1467 149 149 LYS HA H 4.672 0.009 1 1468 149 149 LYS HB2 H 1.245 0.003 1 1469 149 149 LYS HB3 H 1.245 0.003 1 1470 149 149 LYS HG2 H 1.159 0.012 1 1471 149 149 LYS HG3 H 1.159 0.012 1 1472 149 149 LYS HE2 H 2.735 0.002 1 1473 149 149 LYS HE3 H 2.735 0.002 1 1474 149 149 LYS C C 175.763 0.050 1 1475 149 149 LYS CA C 55.619 0.050 1 1476 149 149 LYS CB C 36.075 0.050 1 1477 149 149 LYS N N 118.428 0.067 1 1478 150 150 ILE H H 8.598 0.024 1 1479 150 150 ILE HA H 3.721 0.010 1 1480 150 150 ILE HG12 H 1.673 0.010 1 1481 150 150 ILE HG13 H 1.673 0.010 1 1482 150 150 ILE HG2 H 0.887 0.012 1 1483 150 150 ILE HD1 H 0.237 0.005 1 1484 150 150 ILE C C 174.920 0.050 1 1485 150 150 ILE CA C 63.939 0.050 1 1486 150 150 ILE CB C 38.773 0.050 1 1487 150 150 ILE CG1 C 29.106 0.050 1 1488 150 150 ILE N N 122.385 0.264 1 1489 151 151 ASN H H 7.659 0.023 1 1490 151 151 ASN HA H 4.390 0.015 1 1491 151 151 ASN HB2 H 3.339 0.013 2 1492 151 151 ASN HB3 H 3.238 0.011 2 1493 151 151 ASN HD21 H 7.637 0.037 2 1494 151 151 ASN HD22 H 6.739 0.026 2 1495 151 151 ASN C C 176.003 0.050 1 1496 151 151 ASN CA C 52.577 0.050 1 1497 151 151 ASN CB C 38.118 0.050 1 1498 151 151 ASN N N 110.236 0.244 1 1499 151 151 ASN ND2 N 113.805 0.374 1 1500 152 152 ALA H H 8.567 0.021 1 1501 152 152 ALA HA H 4.060 0.006 1 1502 152 152 ALA HB H 1.440 0.008 1 1503 152 152 ALA C C 178.648 0.050 1 1504 152 152 ALA CA C 55.325 0.050 1 1505 152 152 ALA CB C 19.235 0.002 1 1506 152 152 ALA N N 118.860 0.225 1 1507 153 153 ASN H H 7.982 0.021 1 1508 153 153 ASN HA H 4.814 0.007 1 1509 153 153 ASN HB2 H 2.914 0.004 2 1510 153 153 ASN HB3 H 2.581 0.006 2 1511 153 153 ASN HD21 H 7.508 0.039 2 1512 153 153 ASN HD22 H 6.864 0.037 2 1513 153 153 ASN C C 175.110 0.050 1 1514 153 153 ASN CA C 52.834 0.222 1 1515 153 153 ASN CB C 39.154 0.121 1 1516 153 153 ASN N N 113.428 0.233 1 1517 153 153 ASN ND2 N 114.334 0.990 1 1518 154 154 SER H H 7.603 0.024 1 1519 154 154 SER HA H 4.623 0.011 1 1520 154 154 SER HB2 H 4.297 0.007 2 1521 154 154 SER HB3 H 3.911 0.004 2 1522 154 154 SER C C 173.529 0.050 1 1523 154 154 SER CA C 57.995 0.062 1 1524 154 154 SER CB C 66.107 0.050 1 1525 154 154 SER N N 116.702 0.237 1 1526 155 155 LYS H H 8.235 0.024 1 1527 155 155 LYS HA H 4.125 0.006 1 1528 155 155 LYS HB2 H 1.353 0.012 1 1529 155 155 LYS HB3 H 1.353 0.012 1 1530 155 155 LYS HG2 H 1.058 0.016 1 1531 155 155 LYS HG3 H 1.058 0.016 1 1532 155 155 LYS HD2 H 1.432 0.007 1 1533 155 155 LYS HD3 H 1.432 0.007 1 1534 155 155 LYS HE2 H 2.737 0.004 1 1535 155 155 LYS HE3 H 2.737 0.004 1 1536 155 155 LYS C C 174.759 0.050 1 1537 155 155 LYS CA C 56.401 0.023 1 1538 155 155 LYS CB C 32.647 0.015 1 1539 155 155 LYS CG C 24.423 0.050 1 1540 155 155 LYS CD C 29.211 0.050 1 1541 155 155 LYS CE C 41.922 0.050 1 1542 155 155 LYS N N 120.831 0.246 1 1543 156 156 LEU H H 7.950 0.024 1 1544 156 156 LEU HA H 4.470 0.008 1 1545 156 156 LEU HB2 H 1.619 0.011 1 1546 156 156 LEU HB3 H 1.619 0.011 1 1547 156 156 LEU HG H 1.344 0.006 1 1548 156 156 LEU HD1 H 0.819 0.004 2 1549 156 156 LEU HD2 H 0.754 0.003 2 1550 156 156 LEU C C 176.333 0.050 1 1551 156 156 LEU CA C 54.718 0.050 1 1552 156 156 LEU CB C 42.299 0.050 1 1553 156 156 LEU N N 122.678 0.255 1 1554 157 157 TYR H H 8.860 0.022 1 1555 157 157 TYR HA H 4.263 0.005 1 1556 157 157 TYR HB2 H 1.850 0.008 1 1557 157 157 TYR HB3 H 1.850 0.008 1 1558 157 157 TYR HD1 H 6.886 0.008 1 1559 157 157 TYR HD2 H 6.886 0.008 1 1560 157 157 TYR C C 174.639 0.050 1 1561 157 157 TYR CA C 57.689 0.050 1 1562 157 157 TYR CB C 40.608 0.050 1 1563 157 157 TYR N N 129.816 0.331 1 1564 158 158 THR H H 8.275 0.021 1 1565 158 158 THR HA H 5.016 0.010 1 1566 158 158 THR HB H 3.937 0.006 1 1567 158 158 THR HG2 H 1.119 0.014 1 1568 158 158 THR C C 173.828 0.050 1 1569 158 158 THR CA C 62.123 0.050 1 1570 158 158 THR CB C 70.489 0.050 1 1571 158 158 THR N N 114.840 0.236 1 1572 159 159 TRP H H 10.025 0.022 1 1573 159 159 TRP HA H 5.455 0.029 1 1574 159 159 TRP HB2 H 3.319 0.032 2 1575 159 159 TRP HB3 H 3.271 0.011 2 1576 159 159 TRP HD1 H 7.437 0.019 1 1577 159 159 TRP HE1 H 10.252 0.403 1 1578 159 159 TRP HE3 H 7.704 0.003 1 1579 159 159 TRP C C 174.868 0.050 1 1580 159 159 TRP CA C 54.209 0.050 1 1581 159 159 TRP CB C 32.843 0.115 1 1582 159 159 TRP N N 129.073 0.378 1 1583 159 159 TRP NE1 N 130.680 0.515 1 1584 160 160 ASN H H 9.126 0.025 1 1585 160 160 ASN HA H 5.727 0.014 1 1586 160 160 ASN HB2 H 3.040 0.015 1 1587 160 160 ASN HB3 H 3.040 0.015 1 1588 160 160 ASN HD21 H 7.585 0.132 2 1589 160 160 ASN HD22 H 6.986 0.043 2 1590 160 160 ASN C C 173.879 0.050 1 1591 160 160 ASN CA C 53.736 0.050 1 1592 160 160 ASN CB C 41.771 0.050 1 1593 160 160 ASN N N 118.987 0.256 1 1594 160 160 ASN ND2 N 116.864 0.300 1 1595 161 161 VAL H H 9.195 0.024 1 1596 161 161 VAL HA H 5.261 0.025 1 1597 161 161 VAL HB H 2.359 0.006 1 1598 161 161 VAL HG1 H 1.027 0.011 1 1599 161 161 VAL HG2 H 1.027 0.011 1 1600 161 161 VAL C C 174.316 0.050 1 1601 161 161 VAL CA C 60.559 0.050 1 1602 161 161 VAL CB C 35.918 0.050 1 1603 161 161 VAL CG1 C 22.228 0.050 1 1604 161 161 VAL CG2 C 22.228 0.050 1 1605 161 161 VAL N N 122.826 0.357 1 1606 162 162 LYS H H 9.057 0.025 1 1607 162 162 LYS HA H 3.674 0.011 1 1608 162 162 LYS HB2 H 1.420 0.301 1 1609 162 162 LYS HB3 H 1.420 0.301 1 1610 162 162 LYS HE2 H 2.562 0.010 1 1611 162 162 LYS HE3 H 2.562 0.010 1 1612 162 162 LYS C C 175.745 0.050 1 1613 162 162 LYS CA C 56.008 0.050 1 1614 162 162 LYS CB C 35.116 0.050 1 1615 162 162 LYS N N 130.790 0.347 1 1616 163 163 LEU H H 8.023 0.031 1 1617 163 163 LEU HA H 4.495 0.007 1 1618 163 163 LEU HB2 H 1.265 0.003 1 1619 163 163 LEU HB3 H 1.265 0.003 1 1620 163 163 LEU HG H 1.035 0.014 1 1621 163 163 LEU HD1 H 0.562 0.008 2 1622 163 163 LEU HD2 H 0.265 0.010 2 1623 163 163 LEU C C 175.029 0.050 1 1624 163 163 LEU CB C 42.620 0.050 1 1625 163 163 LEU CG C 26.898 0.050 1 1626 163 163 LEU N N 127.374 0.323 1 1627 164 164 THR H H 8.428 0.029 1 1628 164 164 THR HA H 4.876 0.011 1 1629 164 164 THR HB H 3.790 0.010 1 1630 164 164 THR HG2 H 0.972 0.007 1 1631 164 164 THR C C 171.854 0.050 1 1632 164 164 THR CA C 60.237 0.050 1 1633 164 164 THR CB C 71.095 0.255 1 1634 164 164 THR CG2 C 20.566 0.050 1 1635 164 164 THR N N 121.054 0.388 1 1636 165 165 ASN H H 8.423 0.025 1 1637 165 165 ASN HA H 3.986 0.012 1 1638 165 165 ASN HB2 H 2.918 0.016 2 1639 165 165 ASN HB3 H 1.753 0.004 2 1640 165 165 ASN C C 173.870 0.050 1 1641 165 165 ASN CA C 54.598 0.050 1 1642 165 165 ASN CB C 38.407 0.050 1 1643 165 165 ASN N N 109.179 0.319 1 1644 166 166 THR H H 7.743 0.024 1 1645 166 166 THR HA H 4.262 0.012 1 1646 166 166 THR HB H 4.493 0.011 1 1647 166 166 THR HG2 H 0.975 0.008 1 1648 166 166 THR C C 173.460 0.050 1 1649 166 166 THR CA C 60.551 0.013 1 1650 166 166 THR CB C 69.329 0.050 1 1651 166 166 THR CG2 C 21.439 0.050 1 1652 166 166 THR N N 105.705 0.225 1 1653 167 167 GLY H H 6.786 0.024 1 1654 167 167 GLY HA2 H 4.118 0.012 2 1655 167 167 GLY HA3 H 2.957 0.014 2 1656 167 167 GLY C C 170.433 0.050 1 1657 167 167 GLY CA C 45.643 0.050 1 1658 167 167 GLY N N 112.765 0.301 1 1659 168 168 TYR H H 9.008 0.025 1 1660 168 168 TYR HA H 5.056 0.009 1 1661 168 168 TYR HB2 H 2.147 0.005 1 1662 168 168 TYR HB3 H 2.147 0.005 1 1663 168 168 TYR HD1 H 6.672 0.018 1 1664 168 168 TYR HD2 H 6.672 0.018 1 1665 168 168 TYR HE1 H 6.166 0.013 1 1666 168 168 TYR HE2 H 6.166 0.013 1 1667 168 168 TYR HH H 9.194 0.006 1 1668 168 168 TYR C C 174.922 0.050 1 1669 168 168 TYR CA C 55.077 0.050 1 1670 168 168 TYR CB C 41.430 0.050 1 1671 168 168 TYR N N 120.816 0.350 1 1672 169 169 PHE H H 9.645 0.031 1 1673 169 169 PHE HA H 5.355 0.022 1 1674 169 169 PHE HB2 H 3.004 0.014 2 1675 169 169 PHE HB3 H 2.791 0.006 2 1676 169 169 PHE HD1 H 6.987 0.026 1 1677 169 169 PHE HD2 H 6.987 0.026 1 1678 169 169 PHE C C 174.253 0.050 1 1679 169 169 PHE CA C 57.951 0.035 1 1680 169 169 PHE CB C 40.832 0.050 1 1681 169 169 PHE N N 127.163 0.327 1 1682 170 170 LEU H H 8.442 0.020 1 1683 170 170 LEU HA H 4.944 0.011 1 1684 170 170 LEU HB2 H 2.151 0.003 1 1685 170 170 LEU HB3 H 2.151 0.003 1 1686 170 170 LEU HD1 H 0.906 0.005 2 1687 170 170 LEU HD2 H 0.745 0.011 2 1688 170 170 LEU C C 175.417 0.050 1 1689 170 170 LEU CA C 54.490 0.050 1 1690 170 170 LEU CB C 44.412 0.167 1 1691 170 170 LEU N N 130.278 0.298 1 1692 171 171 VAL H H 9.537 0.023 1 1693 171 171 VAL HA H 3.182 0.006 1 1694 171 171 VAL HB H 2.358 0.007 1 1695 171 171 VAL HG1 H 1.188 0.004 2 1696 171 171 VAL HG2 H 0.786 0.007 2 1697 171 171 VAL C C 173.977 0.050 1 1698 171 171 VAL CA C 68.940 0.050 1 1699 171 171 VAL CB C 29.894 0.050 1 1700 171 171 VAL CG1 C 21.628 0.050 1 1701 171 171 VAL CG2 C 21.628 0.050 1 1702 171 171 VAL N N 125.028 0.256 1 1703 172 172 ASN H H 8.658 0.022 1 1704 172 172 ASN HA H 4.687 0.006 1 1705 172 172 ASN HB2 H 3.005 0.004 2 1706 172 172 ASN HB3 H 2.756 0.008 2 1707 172 172 ASN HD21 H 7.451 0.048 2 1708 172 172 ASN HD22 H 6.748 0.043 2 1709 172 172 ASN C C 173.369 0.050 1 1710 172 172 ASN CA C 53.231 0.050 1 1711 172 172 ASN CB C 38.683 0.050 1 1712 172 172 ASN N N 119.459 0.242 1 1713 172 172 ASN ND2 N 111.861 0.013 1 1714 173 173 TYR H H 6.942 0.021 1 1715 173 173 TYR HA H 4.308 0.007 1 1716 173 173 TYR HB2 H 2.626 0.013 1 1717 173 173 TYR HB3 H 2.626 0.013 1 1718 173 173 TYR HD1 H 7.165 0.012 1 1719 173 173 TYR HD2 H 7.165 0.012 1 1720 173 173 TYR HE1 H 6.163 0.004 1 1721 173 173 TYR HE2 H 6.163 0.004 1 1722 173 173 TYR C C 170.918 0.050 1 1723 173 173 TYR CA C 57.843 0.014 1 1724 173 173 TYR CB C 41.667 0.054 1 1725 173 173 TYR N N 120.839 0.216 1 1726 174 174 ASN H H 7.394 0.026 1 1727 174 174 ASN HA H 4.731 0.009 1 1728 174 174 ASN HB2 H 2.473 0.009 2 1729 174 174 ASN HB3 H 2.193 0.008 2 1730 174 174 ASN HD21 H 6.763 0.036 2 1731 174 174 ASN HD22 H 6.111 0.039 2 1732 174 174 ASN C C 173.538 0.050 1 1733 174 174 ASN CA C 51.561 0.102 1 1734 174 174 ASN CB C 40.072 0.060 1 1735 174 174 ASN N N 124.144 0.249 1 1736 174 174 ASN ND2 N 109.428 0.481 1 1737 175 175 TYR H H 9.067 0.005 1 1738 175 175 TYR HD1 H 7.080 0.003 1 1739 175 175 TYR HD2 H 7.080 0.003 1 1740 175 175 TYR HE1 H 6.938 0.002 1 1741 175 175 TYR HE2 H 6.938 0.002 1 1742 175 175 TYR N N 125.166 0.071 1 1743 176 176 PRO HA H 4.726 0.009 1 1744 176 176 PRO HB2 H 2.550 0.003 2 1745 176 176 PRO HB3 H 2.131 0.030 2 1746 176 176 PRO HD2 H 4.147 0.003 2 1747 176 176 PRO HD3 H 3.876 0.003 2 1748 176 176 PRO C C 174.859 0.050 1 1749 176 176 PRO CA C 64.657 0.050 1 1750 176 176 PRO CB C 32.747 0.050 1 1751 177 177 SER H H 7.241 0.021 1 1752 177 177 SER HA H 5.139 0.014 1 1753 177 177 SER HB2 H 4.436 0.011 1 1754 177 177 SER HB3 H 4.436 0.011 1 1755 177 177 SER C C 174.236 0.050 1 1756 177 177 SER N N 109.018 0.210 1 1757 178 178 VAL H H 9.707 0.034 1 1758 178 178 VAL HA H 3.247 0.010 1 1759 178 178 VAL HB H 2.064 0.012 1 1760 178 178 VAL HG1 H 0.729 0.013 2 1761 178 178 VAL HG2 H -0.023 0.001 2 1762 178 178 VAL C C 178.342 0.050 1 1763 178 178 VAL CA C 66.736 0.045 1 1764 178 178 VAL CB C 31.268 0.050 1 1765 178 178 VAL CG1 C 21.596 0.050 1 1766 178 178 VAL CG2 C 21.596 0.050 1 1767 178 178 VAL N N 125.306 0.277 1 1768 179 179 ILE H H 8.317 0.024 1 1769 179 179 ILE HA H 3.862 0.008 1 1770 179 179 ILE HB H 1.797 0.011 1 1771 179 179 ILE HG12 H 1.576 0.013 1 1772 179 179 ILE HG13 H 1.576 0.013 1 1773 179 179 ILE HG2 H 0.923 0.005 1 1774 179 179 ILE HD1 H 0.911 0.007 1 1775 179 179 ILE C C 178.471 0.050 1 1776 179 179 ILE CA C 64.995 0.004 1 1777 179 179 ILE CB C 37.693 0.050 1 1778 179 179 ILE CG2 C 17.350 0.050 1 1779 179 179 ILE CD1 C 12.782 0.050 1 1780 179 179 ILE N N 120.825 0.253 1 1781 180 180 GLN H H 7.686 0.027 1 1782 180 180 GLN HA H 4.173 0.011 1 1783 180 180 GLN HB2 H 2.093 0.018 1 1784 180 180 GLN HB3 H 2.093 0.018 1 1785 180 180 GLN HG2 H 2.538 0.013 1 1786 180 180 GLN HG3 H 2.538 0.013 1 1787 180 180 GLN HE21 H 7.648 0.040 2 1788 180 180 GLN HE22 H 7.099 0.040 2 1789 180 180 GLN C C 178.448 0.050 1 1790 180 180 GLN CA C 59.736 0.050 1 1791 180 180 GLN CB C 28.729 0.050 1 1792 180 180 GLN CG C 35.228 0.050 1 1793 180 180 GLN N N 118.198 0.317 1 1794 180 180 GLN NE2 N 113.794 0.341 1 1795 181 181 LEU H H 8.310 0.028 1 1796 181 181 LEU HA H 3.228 0.014 1 1797 181 181 LEU HB2 H 2.119 0.011 1 1798 181 181 LEU HB3 H 2.119 0.011 1 1799 181 181 LEU HG H 1.322 0.011 1 1800 181 181 LEU HD1 H 0.746 0.005 2 1801 181 181 LEU HD2 H 0.139 0.015 2 1802 181 181 LEU C C 177.401 0.050 1 1803 181 181 LEU CA C 58.293 0.050 1 1804 181 181 LEU CB C 42.096 0.050 1 1805 181 181 LEU CD1 C 27.734 0.050 1 1806 181 181 LEU CD2 C 27.734 0.050 1 1807 181 181 LEU N N 124.145 0.288 1 1808 182 182 CYS H H 8.515 0.024 1 1809 182 182 CYS HA H 4.001 0.011 1 1810 182 182 CYS HB2 H 2.788 0.017 1 1811 182 182 CYS HB3 H 2.788 0.017 1 1812 182 182 CYS C C 176.727 0.050 1 1813 182 182 CYS CA C 64.898 0.050 1 1814 182 182 CYS CB C 26.682 0.050 1 1815 182 182 CYS N N 117.466 0.305 1 1816 183 183 ASN H H 7.953 0.026 1 1817 183 183 ASN HA H 4.376 0.012 1 1818 183 183 ASN HB2 H 2.824 0.013 1 1819 183 183 ASN HB3 H 2.824 0.013 1 1820 183 183 ASN HD21 H 7.547 0.034 2 1821 183 183 ASN HD22 H 6.890 0.005 2 1822 183 183 ASN C C 178.168 0.050 1 1823 183 183 ASN CA C 56.176 0.050 1 1824 183 183 ASN CB C 37.786 0.050 1 1825 183 183 ASN N N 118.610 0.297 1 1826 183 183 ASN ND2 N 112.178 0.466 1 1827 184 184 GLY H H 8.437 0.022 1 1828 184 184 GLY HA2 H 3.840 0.007 2 1829 184 184 GLY HA3 H 3.570 0.013 2 1830 184 184 GLY C C 176.063 0.050 1 1831 184 184 GLY CA C 47.086 0.050 1 1832 184 184 GLY N N 110.751 0.237 1 1833 185 185 PHE H H 8.506 0.026 1 1834 185 185 PHE HA H 4.060 0.013 1 1835 185 185 PHE HB2 H 2.734 0.015 1 1836 185 185 PHE HB3 H 2.734 0.015 1 1837 185 185 PHE HD1 H 6.182 0.018 1 1838 185 185 PHE HD2 H 6.182 0.018 1 1839 185 185 PHE HE1 H 6.865 0.015 1 1840 185 185 PHE HE2 H 6.865 0.015 1 1841 185 185 PHE C C 175.715 0.050 1 1842 185 185 PHE CA C 60.464 0.050 1 1843 185 185 PHE CB C 37.981 0.010 1 1844 185 185 PHE N N 122.833 0.278 1 1845 186 186 LYS H H 7.793 0.023 1 1846 186 186 LYS HA H 3.148 0.007 1 1847 186 186 LYS HB2 H 1.790 0.003 2 1848 186 186 LYS HB3 H 1.693 0.005 2 1849 186 186 LYS HG2 H 1.210 0.007 1 1850 186 186 LYS HG3 H 1.210 0.007 1 1851 186 186 LYS HD2 H 1.495 0.007 1 1852 186 186 LYS HD3 H 1.495 0.007 1 1853 186 186 LYS HE2 H 2.898 0.003 1 1854 186 186 LYS HE3 H 2.898 0.003 1 1855 186 186 LYS C C 179.185 0.050 1 1856 186 186 LYS CA C 59.810 0.001 1 1857 186 186 LYS CB C 31.435 0.050 1 1858 186 186 LYS CG C 25.352 0.050 1 1859 186 186 LYS CD C 29.106 0.050 1 1860 186 186 LYS CE C 41.853 0.050 1 1861 186 186 LYS N N 117.776 0.226 1 1862 187 187 THR H H 7.515 0.021 1 1863 187 187 THR HA H 3.817 0.007 1 1864 187 187 THR HB H 4.284 0.010 1 1865 187 187 THR HG2 H 1.182 0.009 1 1866 187 187 THR C C 176.580 0.050 1 1867 187 187 THR CA C 66.336 0.007 1 1868 187 187 THR CB C 68.623 0.050 1 1869 187 187 THR CG2 C 22.028 0.050 1 1870 187 187 THR N N 115.394 0.224 1 1871 188 188 LEU H H 7.723 0.022 1 1872 188 188 LEU HA H 4.014 0.010 1 1873 188 188 LEU HB2 H 1.899 0.012 2 1874 188 188 LEU HB3 H 1.712 0.007 2 1875 188 188 LEU HG H 1.526 0.006 1 1876 188 188 LEU HD1 H 0.860 0.006 2 1877 188 188 LEU HD2 H 0.798 0.007 2 1878 188 188 LEU CA C 57.940 0.050 1 1879 188 188 LEU CB C 41.645 0.050 1 1880 188 188 LEU N N 124.868 0.213 1 1881 189 189 LEU H H 8.131 0.022 1 1882 189 189 LEU HA H 3.556 0.009 1 1883 189 189 LEU HB2 H 1.092 0.012 2 1884 189 189 LEU HB3 H 0.714 0.007 2 1885 189 189 LEU HG H 0.879 0.019 1 1886 189 189 LEU HD1 H 0.223 0.010 1 1887 189 189 LEU HD2 H 0.223 0.010 1 1888 189 189 LEU C C 178.789 0.050 1 1889 189 189 LEU CA C 57.491 0.074 1 1890 189 189 LEU CB C 41.075 0.131 1 1891 189 189 LEU CG C 25.881 0.050 1 1892 189 189 LEU CD1 C 24.144 0.050 1 1893 189 189 LEU CD2 C 24.144 0.050 1 1894 189 189 LEU N N 120.490 0.250 1 1895 190 190 LYS H H 7.359 0.022 1 1896 190 190 LYS HA H 4.005 0.006 1 1897 190 190 LYS HB2 H 1.835 0.010 1 1898 190 190 LYS HB3 H 1.835 0.010 1 1899 190 190 LYS HG2 H 1.514 0.008 1 1900 190 190 LYS HG3 H 1.514 0.008 1 1901 190 190 LYS HD2 H 1.637 0.009 1 1902 190 190 LYS HD3 H 1.637 0.009 1 1903 190 190 LYS HE2 H 2.913 0.011 1 1904 190 190 LYS HE3 H 2.913 0.011 1 1905 190 190 LYS C C 178.696 0.050 1 1906 190 190 LYS CA C 58.779 0.032 1 1907 190 190 LYS CB C 31.855 0.051 1 1908 190 190 LYS CG C 24.997 0.050 1 1909 190 190 LYS CD C 28.933 0.050 1 1910 190 190 LYS CE C 41.916 0.050 1 1911 190 190 LYS N N 117.522 0.225 1 1912 191 191 SER H H 7.536 0.026 1 1913 191 191 SER HA H 4.335 0.011 1 1914 191 191 SER HB2 H 3.984 0.004 1 1915 191 191 SER HB3 H 3.984 0.004 1 1916 191 191 SER C C 175.532 0.050 1 1917 191 191 SER CA C 60.355 0.011 1 1918 191 191 SER CB C 63.479 0.050 1 1919 191 191 SER N N 113.416 0.266 1 1920 192 192 LEU H H 7.593 0.024 1 1921 192 192 LEU HA H 4.212 0.004 1 1922 192 192 LEU HB2 H 1.748 0.009 2 1923 192 192 LEU HB3 H 1.595 0.006 2 1924 192 192 LEU HG H 1.727 0.005 1 1925 192 192 LEU HD1 H 0.828 0.006 1 1926 192 192 LEU HD2 H 0.828 0.006 1 1927 192 192 LEU C C 178.212 0.050 1 1928 192 192 LEU CA C 56.666 0.023 1 1929 192 192 LEU CB C 42.156 0.089 1 1930 192 192 LEU CG C 26.855 0.050 1 1931 192 192 LEU CD1 C 24.981 0.050 2 1932 192 192 LEU CD2 C 23.588 0.050 2 1933 192 192 LEU N N 122.303 0.268 1 1934 193 193 GLU H H 7.920 0.025 1 1935 193 193 GLU HA H 4.035 0.007 1 1936 193 193 GLU HB2 H 1.943 0.006 1 1937 193 193 GLU HB3 H 1.943 0.006 1 1938 193 193 GLU HG2 H 2.284 0.010 1 1939 193 193 GLU HG3 H 2.284 0.010 1 1940 193 193 GLU C C 176.741 0.050 1 1941 193 193 GLU CA C 57.668 0.060 1 1942 193 193 GLU CB C 30.189 0.143 1 1943 193 193 GLU CG C 36.203 0.050 1 1944 193 193 GLU N N 118.905 0.249 1 1945 194 194 HIS H H 8.020 0.060 1 1946 194 194 HIS HA H 4.607 0.042 1 1947 194 194 HIS HB2 H 3.118 0.011 1 1948 194 194 HIS HB3 H 3.118 0.011 1 1949 194 194 HIS CA C 55.967 0.050 1 1950 194 194 HIS CB C 29.327 0.026 1 1951 194 194 HIS N N 117.813 0.352 1 1952 195 195 HIS H H 8.250 0.047 1 1953 195 195 HIS C C 173.646 0.050 1 1954 195 195 HIS N N 119.120 0.442 1 stop_ save_