data_25762 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of Pleiotrophin ; _BMRB_accession_number 25762 _BMRB_flat_file_name bmr25762.str _Entry_type original _Submission_date 2015-08-20 _Accession_date 2015-08-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution Structure of Pleiotrophin' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ryan Eathen O. . 2 Shen Di . . 3 Wang Xu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 540 "13C chemical shifts" 533 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-05 update BMRB 'update entry citation' 2016-03-29 original author 'original release' stop_ _Original_release_date 2016-03-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Studies Reveal an Important Role for the Pleiotrophin C Terminus in Mediating Interactions with Chondroitin Sulfate. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26896299 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ryan Eathen O. . 2 Shen Di . . 3 Wang Xu . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_name_full 'FEBS Journal' _Journal_volume 283 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1488 _Page_last 1503 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Pleiotrophin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Pleiotrophin $PTN 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_PTN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PTN _Molecular_mass 15347.028 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; GKKEKPEKKVKKSDCGEWQW SVCVPTSGDCGLGTREGTRT GAECKQTMKTQRCKIPCNWK KQFGAECKYQFQAWGECDLN TALKTRTGSLKRALHNAECQ KTVTISKPCGKLTKPKPQAE SKKKKKEGKKQEKMLD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 LYS 3 3 LYS 4 4 GLU 5 5 LYS 6 6 PRO 7 7 GLU 8 8 LYS 9 9 LYS 10 10 VAL 11 11 LYS 12 12 LYS 13 13 SER 14 14 ASP 15 15 CYS 16 16 GLY 17 17 GLU 18 18 TRP 19 19 GLN 20 20 TRP 21 21 SER 22 22 VAL 23 23 CYS 24 24 VAL 25 25 PRO 26 26 THR 27 27 SER 28 28 GLY 29 29 ASP 30 30 CYS 31 31 GLY 32 32 LEU 33 33 GLY 34 34 THR 35 35 ARG 36 36 GLU 37 37 GLY 38 38 THR 39 39 ARG 40 40 THR 41 41 GLY 42 42 ALA 43 43 GLU 44 44 CYS 45 45 LYS 46 46 GLN 47 47 THR 48 48 MET 49 49 LYS 50 50 THR 51 51 GLN 52 52 ARG 53 53 CYS 54 54 LYS 55 55 ILE 56 56 PRO 57 57 CYS 58 58 ASN 59 59 TRP 60 60 LYS 61 61 LYS 62 62 GLN 63 63 PHE 64 64 GLY 65 65 ALA 66 66 GLU 67 67 CYS 68 68 LYS 69 69 TYR 70 70 GLN 71 71 PHE 72 72 GLN 73 73 ALA 74 74 TRP 75 75 GLY 76 76 GLU 77 77 CYS 78 78 ASP 79 79 LEU 80 80 ASN 81 81 THR 82 82 ALA 83 83 LEU 84 84 LYS 85 85 THR 86 86 ARG 87 87 THR 88 88 GLY 89 89 SER 90 90 LEU 91 91 LYS 92 92 ARG 93 93 ALA 94 94 LEU 95 95 HIS 96 96 ASN 97 97 ALA 98 98 GLU 99 99 CYS 100 100 GLN 101 101 LYS 102 102 THR 103 103 VAL 104 104 THR 105 105 ILE 106 106 SER 107 107 LYS 108 108 PRO 109 109 CYS 110 110 GLY 111 111 LYS 112 112 LEU 113 113 THR 114 114 LYS 115 115 PRO 116 116 LYS 117 117 PRO 118 118 GLN 119 119 ALA 120 120 GLU 121 121 SER 122 122 LYS 123 123 LYS 124 124 LYS 125 125 LYS 126 126 LYS 127 127 GLU 128 128 GLY 129 129 LYS 130 130 LYS 131 131 GLN 132 132 GLU 133 133 LYS 134 134 MET 135 135 LEU 136 136 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P21246 pleiotrophin . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $PTN human 9606 Eukaryota Metazoa Homo sapiens ptn 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 $PTN 'recombinant technology' . Escherichia coli 'Origami BL21(DE3)' pET-15b 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 $PTN 0.6 mM '[U-100% 13C; U-100% 15N]' D2O 10 % 'natural abundance' MES 10 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 0.15 . M pH 6.0 . 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_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D H(CCO)NH' '3D 1H-13C NOESY' '3D HCCH-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 Pleiotrophin _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 GLY C C 173.9470 0.5 1 2 2 2 LYS H H 8.2290 0.04 1 3 2 2 LYS CA C 56.2980 0.5 1 4 2 2 LYS CB C 33.3840 0.5 1 5 2 2 LYS N N 121.7400 0.5 1 6 6 6 PRO HA H 4.4000 0.04 1 7 6 6 PRO HB2 H 2.2800 0.04 2 8 6 6 PRO HG2 H 2.0000 0.04 2 9 6 6 PRO HG3 H 1.9400 0.04 2 10 6 6 PRO HD2 H 3.6800 0.04 2 11 6 6 PRO C C 176.9640 0.5 1 12 6 6 PRO CA C 63.2000 0.5 1 13 6 6 PRO CB C 32.1000 0.5 1 14 6 6 PRO CG C 27.3000 0.5 1 15 6 6 PRO CD C 50.7000 0.5 1 16 7 7 GLU H H 8.5510 0.04 1 17 7 7 GLU HA H 4.2600 0.04 1 18 7 7 GLU HB2 H 2.0000 0.04 2 19 7 7 GLU HG2 H 2.2600 0.04 2 20 7 7 GLU C C 176.2260 0.5 1 21 7 7 GLU CA C 56.4930 0.5 1 22 7 7 GLU CB C 30.6100 0.5 1 23 7 7 GLU CG C 36.2000 0.5 1 24 7 7 GLU N N 122.2850 0.5 1 25 8 8 LYS H H 8.3460 0.04 1 26 8 8 LYS HA H 4.3100 0.04 1 27 8 8 LYS HB2 H 1.7600 0.04 2 28 8 8 LYS HG2 H 1.4100 0.04 2 29 8 8 LYS HE2 H 3.0000 0.04 2 30 8 8 LYS C C 176.5410 0.5 1 31 8 8 LYS CA C 56.4400 0.5 1 32 8 8 LYS CB C 33.1950 0.5 1 33 8 8 LYS CG C 24.8000 0.5 1 34 8 8 LYS CD C 29.2000 0.5 1 35 8 8 LYS CE C 42.0000 0.5 1 36 8 8 LYS N N 122.5720 0.5 1 37 9 9 LYS H H 8.5050 0.04 1 38 9 9 LYS HA H 4.3300 0.04 1 39 9 9 LYS HB2 H 1.7400 0.04 2 40 9 9 LYS HG2 H 1.4000 0.04 2 41 9 9 LYS HE2 H 2.9800 0.04 2 42 9 9 LYS C C 176.3900 0.5 1 43 9 9 LYS CA C 56.5370 0.5 1 44 9 9 LYS CB C 33.1600 0.5 1 45 9 9 LYS CG C 24.7000 0.5 1 46 9 9 LYS CD C 28.9000 0.5 1 47 9 9 LYS CE C 42.1000 0.5 1 48 9 9 LYS N N 123.8430 0.5 1 49 10 10 VAL H H 8.2060 0.04 1 50 10 10 VAL HA H 4.0800 0.04 1 51 10 10 VAL HB H 2.0100 0.04 1 52 10 10 VAL HG1 H 0.9000 0.04 2 53 10 10 VAL HG2 H 0.9000 0.04 2 54 10 10 VAL C C 175.8870 0.5 1 55 10 10 VAL CA C 62.1590 0.5 1 56 10 10 VAL CB C 33.0800 0.5 1 57 10 10 VAL CG1 C 20.9000 0.5 2 58 10 10 VAL CG2 C 20.9000 0.5 2 59 10 10 VAL N N 123.0430 0.5 1 60 11 11 LYS H H 8.4330 0.04 1 61 11 11 LYS HA H 4.3200 0.04 1 62 11 11 LYS HB2 H 1.7400 0.04 2 63 11 11 LYS HG2 H 1.4000 0.04 2 64 11 11 LYS HE2 H 2.9700 0.04 2 65 11 11 LYS C C 176.2570 0.5 1 66 11 11 LYS CA C 56.0850 0.5 1 67 11 11 LYS CB C 33.3200 0.5 1 68 11 11 LYS CG C 24.6000 0.5 1 69 11 11 LYS CD C 28.9000 0.5 1 70 11 11 LYS CE C 42.0000 0.5 1 71 11 11 LYS N N 126.9520 0.5 1 72 12 12 LYS H H 8.4460 0.04 1 73 12 12 LYS HA H 4.2600 0.04 1 74 12 12 LYS HB2 H 1.7500 0.04 2 75 12 12 LYS HG2 H 1.4100 0.04 2 76 12 12 LYS HE2 H 2.9800 0.04 2 77 12 12 LYS C C 176.3060 0.5 1 78 12 12 LYS CA C 56.6050 0.5 1 79 12 12 LYS CB C 33.4430 0.5 1 80 12 12 LYS CG C 24.5000 0.5 1 81 12 12 LYS CD C 28.9000 0.5 1 82 12 12 LYS CE C 42.1000 0.5 1 83 12 12 LYS N N 125.0230 0.5 1 84 13 13 SER H H 8.3530 0.04 1 85 13 13 SER HA H 4.4600 0.04 1 86 13 13 SER HB2 H 3.8400 0.04 2 87 13 13 SER C C 174.4560 0.5 1 88 13 13 SER CA C 57.9500 0.5 1 89 13 13 SER CB C 64.0480 0.5 1 90 13 13 SER N N 117.8360 0.5 1 91 14 14 ASP H H 8.4790 0.04 1 92 14 14 ASP HA H 4.5700 0.04 1 93 14 14 ASP HB2 H 2.6000 0.04 2 94 14 14 ASP C C 175.5590 0.5 1 95 14 14 ASP CA C 54.0450 0.5 1 96 14 14 ASP CB C 41.0370 0.5 1 97 14 14 ASP N N 124.2560 0.5 1 98 15 15 CYS H H 7.9010 0.04 1 99 15 15 CYS HA H 4.6500 0.04 1 100 15 15 CYS HB2 H 2.6400 0.04 2 101 15 15 CYS C C 175.3540 0.5 1 102 15 15 CYS CA C 55.4130 0.5 1 103 15 15 CYS CB C 43.4970 0.5 1 104 15 15 CYS N N 117.9540 0.5 1 105 16 16 GLY H H 8.4470 0.04 1 106 16 16 GLY HA2 H 3.8000 0.04 2 107 16 16 GLY C C 172.3000 0.5 1 108 16 16 GLY CA C 44.2240 0.5 1 109 16 16 GLY N N 112.6940 0.5 1 110 17 17 GLU H H 8.2500 0.04 1 111 17 17 GLU HA H 4.0900 0.04 1 112 17 17 GLU HB2 H 1.8300 0.04 2 113 17 17 GLU HB3 H 2.0200 0.04 2 114 17 17 GLU HG2 H 2.3700 0.04 2 115 17 17 GLU C C 177.5710 0.5 1 116 17 17 GLU CA C 55.9000 0.5 1 117 17 17 GLU CB C 30.5000 0.5 1 118 17 17 GLU CG C 36.2000 0.5 1 119 17 17 GLU N N 118.5000 0.5 1 120 18 18 TRP H H 8.3190 0.04 1 121 18 18 TRP HA H 4.0400 0.04 1 122 18 18 TRP HB2 H 2.8800 0.04 2 123 18 18 TRP HB3 H 2.8600 0.04 2 124 18 18 TRP HD1 H 7.4400 0.04 1 125 18 18 TRP HE1 H 10.1000 0.04 1 126 18 18 TRP HE3 H 6.4100 0.04 1 127 18 18 TRP HZ2 H 7.2700 0.04 1 128 18 18 TRP HZ3 H 6.4800 0.04 1 129 18 18 TRP HH2 H 6.5000 0.04 1 130 18 18 TRP C C 176.3100 0.5 1 131 18 18 TRP CA C 58.5150 0.5 1 132 18 18 TRP CB C 30.3650 0.5 1 133 18 18 TRP CD1 C 128.0000 0.5 1 134 18 18 TRP CE3 C 121.6000 0.5 1 135 18 18 TRP CZ2 C 114.2000 0.5 1 136 18 18 TRP CZ3 C 118.9000 0.5 1 137 18 18 TRP CH2 C 123.5000 0.5 1 138 18 18 TRP N N 122.7180 0.5 1 139 18 18 TRP NE1 N 128.6000 0.5 1 140 19 19 GLN H H 9.1400 0.04 1 141 19 19 GLN HA H 4.5300 0.04 1 142 19 19 GLN HB2 H 2.0600 0.04 2 143 19 19 GLN HG2 H 2.3400 0.04 2 144 19 19 GLN C C 175.5710 0.5 1 145 19 19 GLN CA C 54.1860 0.5 1 146 19 19 GLN CB C 29.8970 0.5 1 147 19 19 GLN CG C 33.6000 0.5 1 148 19 19 GLN N N 123.3050 0.5 1 149 20 20 TRP H H 8.7830 0.04 1 150 20 20 TRP HA H 5.2900 0.04 1 151 20 20 TRP HB2 H 3.2400 0.04 2 152 20 20 TRP HB3 H 3.0000 0.04 2 153 20 20 TRP HD1 H 7.2100 0.04 1 154 20 20 TRP HE1 H 9.9500 0.04 1 155 20 20 TRP HE3 H 7.0200 0.04 1 156 20 20 TRP HZ2 H 6.6900 0.04 1 157 20 20 TRP HZ3 H 6.5100 0.04 1 158 20 20 TRP HH2 H 6.0300 0.04 1 159 20 20 TRP C C 177.5960 0.5 1 160 20 20 TRP CA C 56.6510 0.5 1 161 20 20 TRP CB C 32.7200 0.5 1 162 20 20 TRP CD1 C 127.5000 0.5 1 163 20 20 TRP CE3 C 119.1000 0.5 1 164 20 20 TRP CZ2 C 113.9000 0.5 1 165 20 20 TRP CZ3 C 120.8000 0.5 1 166 20 20 TRP CH2 C 122.7000 0.5 1 167 20 20 TRP N N 125.3110 0.5 1 168 20 20 TRP NE1 N 129.0000 0.5 1 169 21 21 SER H H 9.1730 0.04 1 170 21 21 SER HA H 4.4400 0.04 1 171 21 21 SER HB2 H 4.2200 0.04 2 172 21 21 SER C C 173.7950 0.5 1 173 21 21 SER CA C 57.2920 0.5 1 174 21 21 SER CB C 65.4350 0.5 1 175 21 21 SER N N 120.0410 0.5 1 176 22 22 VAL H H 8.0990 0.04 1 177 22 22 VAL HA H 4.1300 0.04 1 178 22 22 VAL HB H 2.2000 0.04 1 179 22 22 VAL HG2 H 0.9700 0.04 2 180 22 22 VAL C C 175.1830 0.5 1 181 22 22 VAL CA C 62.0080 0.5 1 182 22 22 VAL CB C 32.8590 0.5 1 183 22 22 VAL CG2 C 21.0000 0.5 2 184 22 22 VAL N N 115.3360 0.5 1 185 23 23 CYS H H 8.4330 0.04 1 186 23 23 CYS HA H 4.3300 0.04 1 187 23 23 CYS HB2 H 2.8400 0.04 2 188 23 23 CYS C C 173.3350 0.5 1 189 23 23 CYS CA C 56.5980 0.5 1 190 23 23 CYS CB C 42.1660 0.5 1 191 23 23 CYS N N 122.1540 0.5 1 192 24 24 VAL H H 8.7900 0.04 1 193 24 24 VAL HA H 4.2600 0.04 1 194 24 24 VAL HB H 1.7900 0.04 1 195 24 24 VAL HG1 H 0.8400 0.04 2 196 24 24 VAL CA C 59.4090 0.5 1 197 24 24 VAL CB C 33.5720 0.5 1 198 24 24 VAL N N 133.0080 0.5 1 199 25 25 PRO HA H 4.3800 0.04 1 200 25 25 PRO HB2 H 1.6000 0.04 2 201 25 25 PRO C C 176.8530 0.5 1 202 25 25 PRO CA C 62.7000 0.5 1 203 25 25 PRO CB C 31.6000 0.5 1 204 25 25 PRO CG C 27.1000 0.5 1 205 26 26 THR H H 9.1990 0.04 1 206 26 26 THR HA H 3.9700 0.04 1 207 26 26 THR HB H 3.9700 0.04 1 208 26 26 THR HG2 H 1.2400 0.04 1 209 26 26 THR C C 174.8910 0.5 1 210 26 26 THR CA C 65.5980 0.5 1 211 26 26 THR CB C 69.1360 0.5 1 212 26 26 THR CG2 C 22.4000 0.5 1 213 26 26 THR N N 121.7290 0.5 1 214 27 27 SER H H 8.6760 0.04 1 215 27 27 SER HA H 4.5900 0.04 1 216 27 27 SER HB2 H 3.7700 0.04 2 217 27 27 SER HB3 H 3.7200 0.04 2 218 27 27 SER C C 173.7000 0.5 1 219 27 27 SER CA C 57.3260 0.5 1 220 27 27 SER CB C 64.7490 0.5 1 221 27 27 SER N N 115.4950 0.5 1 222 28 28 GLY H H 8.4820 0.04 1 223 28 28 GLY HA2 H 3.7400 0.04 2 224 28 28 GLY HA3 H 4.0900 0.04 2 225 28 28 GLY C C 173.8030 0.5 1 226 28 28 GLY CA C 45.9650 0.5 1 227 28 28 GLY N N 111.4920 0.5 1 228 29 29 ASP H H 8.4120 0.04 1 229 29 29 ASP HA H 4.7500 0.04 1 230 29 29 ASP HB2 H 2.6200 0.04 2 231 29 29 ASP HB3 H 2.7900 0.04 2 232 29 29 ASP C C 175.8060 0.5 1 233 29 29 ASP CA C 53.4760 0.5 1 234 29 29 ASP CB C 42.1400 0.5 1 235 29 29 ASP N N 118.8930 0.5 1 236 30 30 CYS H H 7.9830 0.04 1 237 30 30 CYS HA H 3.8400 0.04 1 238 30 30 CYS HB2 H 2.8700 0.04 2 239 30 30 CYS C C 170.7670 0.5 1 240 30 30 CYS CA C 56.0600 0.5 1 241 30 30 CYS CB C 47.9000 0.5 1 242 30 30 CYS N N 113.9370 0.5 1 243 31 31 GLY H H 9.3760 0.04 1 244 31 31 GLY HA2 H 3.7400 0.04 2 245 31 31 GLY HA3 H 4.5900 0.04 2 246 31 31 GLY C C 173.8040 0.5 1 247 31 31 GLY CA C 44.0430 0.5 1 248 31 31 GLY N N 110.9720 0.5 1 249 32 32 LEU H H 8.4930 0.04 1 250 32 32 LEU HA H 4.4400 0.04 1 251 32 32 LEU HB2 H 1.7400 0.04 2 252 32 32 LEU HD1 H 0.9100 0.04 2 253 32 32 LEU HD2 H 0.8400 0.04 2 254 32 32 LEU C C 177.8020 0.5 1 255 32 32 LEU CA C 55.9040 0.5 1 256 32 32 LEU CB C 42.8250 0.5 1 257 32 32 LEU CG C 27.1000 0.5 1 258 32 32 LEU CD1 C 23.6000 0.5 2 259 32 32 LEU CD2 C 23.6000 0.5 2 260 32 32 LEU N N 123.0770 0.5 1 261 33 33 GLY H H 8.6580 0.04 1 262 33 33 GLY HA2 H 3.9900 0.04 2 263 33 33 GLY HA3 H 4.7500 0.04 2 264 33 33 GLY C C 174.2790 0.5 1 265 33 33 GLY CA C 45.9300 0.5 1 266 33 33 GLY N N 110.4360 0.5 1 267 34 34 THR H H 8.0400 0.04 1 268 34 34 THR HA H 5.1660 0.04 1 269 34 34 THR HB H 3.9060 0.04 1 270 34 34 THR HG2 H 1.0700 0.04 1 271 34 34 THR C C 173.2460 0.5 1 272 34 34 THR CA C 60.7760 0.5 1 273 34 34 THR CB C 72.8920 0.5 1 274 34 34 THR CG2 C 22.4000 0.5 1 275 34 34 THR N N 113.1180 0.5 1 276 35 35 ARG H H 9.1040 0.04 1 277 35 35 ARG HA H 4.9800 0.04 1 278 35 35 ARG HB2 H 1.7600 0.04 2 279 35 35 ARG C C 173.8020 0.5 1 280 35 35 ARG CA C 54.1000 0.5 1 281 35 35 ARG CB C 33.7900 0.5 1 282 35 35 ARG N N 120.3710 0.5 1 283 36 36 GLU H H 8.7500 0.04 1 284 36 36 GLU HA H 5.1600 0.04 1 285 36 36 GLU HB2 H 2.0300 0.04 2 286 36 36 GLU HG2 H 2.2300 0.04 2 287 36 36 GLU C C 175.9600 0.5 1 288 36 36 GLU CA C 55.2090 0.5 1 289 36 36 GLU CB C 32.6520 0.5 1 290 36 36 GLU CG C 36.3400 0.5 1 291 36 36 GLU N N 122.2590 0.5 1 292 37 37 GLY H H 9.4790 0.04 1 293 37 37 GLY HA3 H 4.8400 0.04 2 294 37 37 GLY C C 173.0970 0.5 1 295 37 37 GLY CA C 44.1950 0.5 1 296 37 37 GLY N N 116.8950 0.5 1 297 38 38 THR H H 8.4850 0.04 1 298 38 38 THR HA H 5.5400 0.04 1 299 38 38 THR HB H 4.1300 0.04 1 300 38 38 THR HG2 H 1.2100 0.04 1 301 38 38 THR C C 173.0040 0.5 1 302 38 38 THR CA C 59.7510 0.5 1 303 38 38 THR CB C 72.6660 0.5 1 304 38 38 THR CG2 C 21.7700 0.5 1 305 38 38 THR N N 114.8480 0.5 1 306 39 39 ARG H H 8.2310 0.04 1 307 39 39 ARG HA H 4.6400 0.04 1 308 39 39 ARG HB2 H 0.9270 0.04 2 309 39 39 ARG C C 174.6490 0.5 1 310 39 39 ARG CA C 54.5870 0.5 1 311 39 39 ARG CB C 33.2850 0.5 1 312 39 39 ARG CG C 24.4900 0.5 1 313 39 39 ARG CD C 42.7400 0.5 1 314 39 39 ARG N N 119.0720 0.5 1 315 40 40 THR H H 8.0970 0.04 1 316 40 40 THR HA H 4.4400 0.04 1 317 40 40 THR HB H 4.1500 0.04 1 318 40 40 THR HG2 H 1.1100 0.04 1 319 40 40 THR C C 173.8900 0.5 1 320 40 40 THR CA C 60.4310 0.5 1 321 40 40 THR CB C 71.1630 0.5 1 322 40 40 THR CG2 C 21.3020 0.5 1 323 40 40 THR N N 111.0090 0.5 1 324 41 41 GLY H H 8.1460 0.04 1 325 41 41 GLY HA2 H 3.5900 0.04 2 326 41 41 GLY HA3 H 4.4600 0.04 2 327 41 41 GLY C C 174.4890 0.5 1 328 41 41 GLY CA C 45.4870 0.5 1 329 41 41 GLY N N 110.0940 0.5 1 330 42 42 ALA H H 8.8440 0.04 1 331 42 42 ALA HA H 4.1500 0.04 1 332 42 42 ALA HB H 1.4400 0.04 1 333 42 42 ALA C C 179.0630 0.5 1 334 42 42 ALA CA C 54.7370 0.5 1 335 42 42 ALA CB C 19.2580 0.5 1 336 42 42 ALA N N 130.0300 0.5 1 337 43 43 GLU H H 9.0700 0.04 1 338 43 43 GLU HA H 4.3500 0.04 1 339 43 43 GLU HB2 H 1.6700 0.04 2 340 43 43 GLU HG2 H 2.1700 0.04 2 341 43 43 GLU C C 175.8250 0.5 1 342 43 43 GLU CA C 54.9640 0.5 1 343 43 43 GLU CB C 29.3720 0.5 1 344 43 43 GLU CG C 36.4100 0.5 1 345 43 43 GLU N N 116.7210 0.5 1 346 44 44 CYS H H 7.4270 0.04 1 347 44 44 CYS C C 174.8870 0.5 1 348 44 44 CYS CA C 55.2870 0.5 1 349 44 44 CYS CB C 41.2150 0.5 1 350 44 44 CYS N N 120.0310 0.5 1 351 45 45 LYS H H 8.6550 0.04 1 352 45 45 LYS HA H 4.2200 0.04 1 353 45 45 LYS HB2 H 1.8600 0.04 2 354 45 45 LYS HG2 H 1.4900 0.04 2 355 45 45 LYS HD2 H 1.6700 0.04 2 356 45 45 LYS HE2 H 3.0100 0.04 2 357 45 45 LYS C C 176.4640 0.5 1 358 45 45 LYS CA C 57.7930 0.5 1 359 45 45 LYS CB C 32.2510 0.5 1 360 45 45 LYS CG C 24.7900 0.5 1 361 45 45 LYS CD C 28.6000 0.5 1 362 45 45 LYS CE C 42.3100 0.5 1 363 45 45 LYS N N 127.1920 0.5 1 364 46 46 GLN H H 7.8310 0.04 1 365 46 46 GLN HA H 4.6900 0.04 1 366 46 46 GLN HB2 H 2.1300 0.04 2 367 46 46 GLN HG2 H 2.3800 0.04 2 368 46 46 GLN HG3 H 2.5800 0.04 2 369 46 46 GLN C C 175.5240 0.5 1 370 46 46 GLN CA C 55.7590 0.5 1 371 46 46 GLN CB C 29.6720 0.5 1 372 46 46 GLN CG C 33.8400 0.5 1 373 46 46 GLN N N 119.4540 0.5 1 374 47 47 THR H H 8.6330 0.04 1 375 47 47 THR HA H 4.7010 0.04 1 376 47 47 THR HB H 4.0990 0.04 1 377 47 47 THR HG2 H 0.9710 0.04 1 378 47 47 THR C C 173.4580 0.5 1 379 47 47 THR CA C 61.6930 0.5 1 380 47 47 THR CB C 69.7730 0.5 1 381 47 47 THR CG2 C 22.2200 0.5 1 382 47 47 THR N N 116.1220 0.5 1 383 48 48 MET H H 7.8380 0.04 1 384 48 48 MET HA H 5.6100 0.04 1 385 48 48 MET HB2 H 2.1100 0.04 2 386 48 48 MET HB3 H 2.0600 0.04 2 387 48 48 MET HG2 H 2.6100 0.04 2 388 48 48 MET C C 174.8500 0.5 1 389 48 48 MET CA C 55.3210 0.5 1 390 48 48 MET CB C 36.5290 0.5 1 391 48 48 MET CG C 32.0000 0.5 1 392 48 48 MET N N 121.3780 0.5 1 393 49 49 LYS H H 8.5390 0.04 1 394 49 49 LYS HA H 4.5600 0.04 1 395 49 49 LYS HB2 H 1.3900 0.04 2 396 49 49 LYS HG2 H 0.6400 0.04 2 397 49 49 LYS HD2 H 1.0700 0.04 2 398 49 49 LYS C C 173.7730 0.5 1 399 49 49 LYS CA C 55.8990 0.5 1 400 49 49 LYS CB C 36.0320 0.5 1 401 49 49 LYS CG C 23.8300 0.5 1 402 49 49 LYS CD C 29.4500 0.5 1 403 49 49 LYS CE C 43.9900 0.5 1 404 49 49 LYS N N 123.7480 0.5 1 405 50 50 THR H H 8.4160 0.04 1 406 50 50 THR HA H 5.3300 0.04 1 407 50 50 THR HB H 3.9600 0.04 1 408 50 50 THR HG2 H 1.2100 0.04 1 409 50 50 THR C C 174.0470 0.5 1 410 50 50 THR CA C 61.1690 0.5 1 411 50 50 THR CB C 71.0190 0.5 1 412 50 50 THR CG2 C 21.8600 0.5 1 413 50 50 THR N N 117.2760 0.5 1 414 51 51 GLN H H 9.0340 0.04 1 415 51 51 GLN HA H 4.6800 0.04 1 416 51 51 GLN C C 174.4530 0.5 1 417 51 51 GLN CA C 54.0790 0.5 1 418 51 51 GLN CB C 34.3520 0.5 1 419 51 51 GLN N N 123.9960 0.5 1 420 52 52 ARG H H 8.5200 0.04 1 421 52 52 ARG HA H 4.6000 0.04 1 422 52 52 ARG HB2 H 1.8100 0.04 2 423 52 52 ARG HG2 H 1.6000 0.04 2 424 52 52 ARG HD2 H 3.2100 0.04 2 425 52 52 ARG C C 174.9780 0.5 1 426 52 52 ARG CA C 56.6000 0.5 1 427 52 52 ARG CB C 30.8120 0.5 1 428 52 52 ARG CG C 27.1700 0.5 1 429 52 52 ARG CD C 43.4300 0.5 1 430 52 52 ARG N N 124.7590 0.5 1 431 53 53 CYS H H 8.1670 0.04 1 432 53 53 CYS HA H 4.1300 0.04 1 433 53 53 CYS HB2 H 2.9800 0.04 2 434 53 53 CYS HB3 H 3.1100 0.04 2 435 53 53 CYS C C 170.7550 0.5 1 436 53 53 CYS CA C 54.5740 0.5 1 437 53 53 CYS CB C 47.1780 0.5 1 438 53 53 CYS N N 120.1580 0.5 1 439 54 54 LYS H H 8.4890 0.04 1 440 54 54 LYS HA H 4.8400 0.04 1 441 54 54 LYS HB2 H 1.5600 0.04 2 442 54 54 LYS HB3 H 1.6100 0.04 2 443 54 54 LYS HG2 H 1.1000 0.04 2 444 54 54 LYS HG3 H 1.1000 0.04 2 445 54 54 LYS HE2 H 2.8200 0.04 2 446 54 54 LYS C C 175.1660 0.5 1 447 54 54 LYS CA C 55.6110 0.5 1 448 54 54 LYS CB C 36.0660 0.5 1 449 54 54 LYS CG C 24.8300 0.5 1 450 54 54 LYS CD C 29.3000 0.5 1 451 54 54 LYS CE C 41.0700 0.5 1 452 54 54 LYS N N 120.2830 0.5 1 453 55 55 ILE H H 8.6730 0.04 1 454 55 55 ILE HA H 4.6000 0.04 1 455 55 55 ILE HB H 1.6000 0.04 1 456 55 55 ILE HG12 H 1.3200 0.04 2 457 55 55 ILE HG2 H 1.0500 0.04 1 458 55 55 ILE HD1 H 0.6700 0.04 1 459 55 55 ILE CA C 57.2990 0.5 1 460 55 55 ILE CB C 41.7590 0.5 1 461 55 55 ILE CG1 C 27.4000 0.5 1 462 55 55 ILE CG2 C 16.7000 0.5 1 463 55 55 ILE CD1 C 14.2000 0.5 1 464 55 55 ILE N N 126.7940 0.5 1 465 56 56 PRO HA H 4.3600 0.04 1 466 56 56 PRO HB2 H 2.2800 0.04 2 467 56 56 PRO HG2 H 1.8500 0.04 2 468 56 56 PRO C C 176.7480 0.5 1 469 56 56 PRO CA C 63.7900 0.5 1 470 56 56 PRO CB C 32.2000 0.5 1 471 56 56 PRO CG C 27.5600 0.5 1 472 56 56 PRO CD C 51.9000 0.5 1 473 57 57 CYS H H 8.7820 0.04 1 474 57 57 CYS HA H 4.1600 0.04 1 475 57 57 CYS HB2 H 2.7500 0.04 2 476 57 57 CYS C C 174.8670 0.5 1 477 57 57 CYS CA C 54.4900 0.5 1 478 57 57 CYS CB C 43.0900 0.5 1 479 57 57 CYS N N 121.4110 0.5 1 480 58 58 ASN H H 8.5510 0.04 1 481 58 58 ASN HA H 4.6200 0.04 1 482 58 58 ASN HB2 H 2.7800 0.04 2 483 58 58 ASN HD21 H 6.8800 0.04 2 484 58 58 ASN HD22 H 7.6400 0.04 2 485 58 58 ASN C C 175.1290 0.5 1 486 58 58 ASN CA C 53.8320 0.5 1 487 58 58 ASN CB C 38.6340 0.5 1 488 58 58 ASN N N 120.9180 0.5 1 489 58 58 ASN ND2 N 113.4000 0.5 1 490 59 59 TRP H H 8.0100 0.04 1 491 59 59 TRP HA H 4.6040 0.04 1 492 59 59 TRP HB2 H 3.2900 0.04 2 493 59 59 TRP HB3 H 3.2000 0.04 2 494 59 59 TRP HD1 H 7.2800 0.04 1 495 59 59 TRP HE1 H 10.2000 0.04 1 496 59 59 TRP HE3 H 7.5000 0.04 1 497 59 59 TRP HZ2 H 7.4500 0.04 1 498 59 59 TRP HZ3 H 7.0200 0.04 1 499 59 59 TRP HH2 H 7.1400 0.04 1 500 59 59 TRP C C 176.3740 0.5 1 501 59 59 TRP CA C 57.6050 0.5 1 502 59 59 TRP CB C 29.4870 0.5 1 503 59 59 TRP CD1 C 127.3000 0.5 1 504 59 59 TRP CE3 C 120.9000 0.5 1 505 59 59 TRP CZ2 C 114.7000 0.5 1 506 59 59 TRP CZ3 C 122.0000 0.5 1 507 59 59 TRP CH2 C 124.6000 0.5 1 508 59 59 TRP N N 121.7910 0.5 1 509 59 59 TRP NE1 N 129.8000 0.5 1 510 60 60 LYS H H 7.7510 0.04 1 511 60 60 LYS HA H 4.0700 0.04 1 512 60 60 LYS HB2 H 1.6500 0.04 2 513 60 60 LYS HG2 H 0.9800 0.04 2 514 60 60 LYS HD2 H 1.5010 0.04 2 515 60 60 LYS HE2 H 2.8020 0.04 2 516 60 60 LYS C C 176.6850 0.5 1 517 60 60 LYS CA C 56.9260 0.5 1 518 60 60 LYS CB C 32.8770 0.5 1 519 60 60 LYS CG C 24.5600 0.5 1 520 60 60 LYS CD C 29.0000 0.5 1 521 60 60 LYS CE C 42.1800 0.5 1 522 60 60 LYS N N 122.2890 0.5 1 523 61 61 LYS H H 7.9630 0.04 1 524 61 61 LYS HA H 4.1600 0.04 1 525 61 61 LYS HB2 H 1.7100 0.04 2 526 61 61 LYS HG2 H 1.3500 0.04 2 527 61 61 LYS HD2 H 1.5200 0.04 2 528 61 61 LYS HE2 H 2.9500 0.04 2 529 61 61 LYS C C 176.7310 0.5 1 530 61 61 LYS CA C 56.8040 0.5 1 531 61 61 LYS CB C 32.9100 0.5 1 532 61 61 LYS CG C 24.7700 0.5 1 533 61 61 LYS CD C 29.2100 0.5 1 534 61 61 LYS CE C 42.2800 0.5 1 535 61 61 LYS N N 121.6910 0.5 1 536 62 62 GLN H H 8.1770 0.04 1 537 62 62 GLN HA H 4.2400 0.04 1 538 62 62 GLN HB2 H 1.9200 0.04 2 539 62 62 GLN HG2 H 2.1800 0.04 2 540 62 62 GLN C C 175.6960 0.5 1 541 62 62 GLN CA C 56.4160 0.5 1 542 62 62 GLN CB C 29.7220 0.5 1 543 62 62 GLN CG C 33.6400 0.5 1 544 62 62 GLN N N 120.6110 0.5 1 545 63 63 PHE H H 7.9900 0.04 1 546 63 63 PHE HA H 4.7500 0.04 1 547 63 63 PHE HB2 H 3.0800 0.04 2 548 63 63 PHE HB3 H 3.3000 0.04 2 549 63 63 PHE HD1 H 7.2700 0.04 3 550 63 63 PHE HE1 H 7.3200 0.04 3 551 63 63 PHE C C 175.9580 0.5 1 552 63 63 PHE CA C 57.3390 0.5 1 553 63 63 PHE CB C 39.8130 0.5 1 554 63 63 PHE CD1 C 132.1000 0.5 2 555 63 63 PHE CE1 C 131.3000 0.5 3 556 63 63 PHE N N 119.9640 0.5 3 557 64 64 GLY H H 8.4270 0.04 1 558 64 64 GLY HA2 H 4.0340 0.04 2 559 64 64 GLY C C 174.2970 0.5 1 560 64 64 GLY CA C 45.3060 0.5 1 561 64 64 GLY N N 110.6740 0.5 1 562 65 65 ALA H H 8.3160 0.04 1 563 65 65 ALA HA H 4.2600 0.04 1 564 65 65 ALA HB H 1.4100 0.04 1 565 65 65 ALA C C 178.0280 0.5 1 566 65 65 ALA CA C 53.4000 0.5 1 567 65 65 ALA CB C 19.3720 0.5 1 568 65 65 ALA N N 124.2130 0.5 1 569 66 66 GLU H H 8.6970 0.04 1 570 66 66 GLU HA H 4.2400 0.04 1 571 66 66 GLU HB2 H 1.8900 0.04 2 572 66 66 GLU HG2 H 2.2500 0.04 2 573 66 66 GLU C C 175.1270 0.5 1 574 66 66 GLU CA C 57.2050 0.5 1 575 66 66 GLU CB C 29.9240 0.5 1 576 66 66 GLU CG C 36.3500 0.5 1 577 66 66 GLU N N 117.4890 0.5 1 578 67 67 CYS H H 7.7580 0.04 1 579 67 67 CYS HA H 4.3100 0.04 1 580 67 67 CYS HB2 H 3.0300 0.04 2 581 67 67 CYS C C 172.4360 0.5 1 582 67 67 CYS CA C 53.3000 0.5 1 583 67 67 CYS CB C 41.1220 0.5 1 584 67 67 CYS N N 119.3050 0.5 1 585 68 68 LYS H H 8.1740 0.04 1 586 68 68 LYS HA H 4.6800 0.04 1 587 68 68 LYS HB2 H 1.6600 0.04 2 588 68 68 LYS HG2 H 1.2700 0.04 2 589 68 68 LYS HG3 H 1.3100 0.04 2 590 68 68 LYS HE2 H 2.8800 0.04 2 591 68 68 LYS C C 174.8040 0.5 1 592 68 68 LYS CA C 54.0090 0.5 1 593 68 68 LYS CB C 33.6510 0.5 1 594 68 68 LYS CG C 24.1100 0.5 1 595 68 68 LYS CD C 28.4400 0.5 1 596 68 68 LYS CE C 44.3100 0.5 1 597 68 68 LYS N N 123.2480 0.5 1 598 69 69 TYR H H 8.7690 0.04 1 599 69 69 TYR HA H 4.4100 0.04 1 600 69 69 TYR HB2 H 2.7400 0.04 2 601 69 69 TYR HB3 H 2.8500 0.04 2 602 69 69 TYR HD1 H 6.4000 0.04 3 603 69 69 TYR HE1 H 6.3600 0.04 3 604 69 69 TYR C C 174.6020 0.5 1 605 69 69 TYR CA C 58.2040 0.5 1 606 69 69 TYR CB C 42.1000 0.5 1 607 69 69 TYR CD1 C 132.1000 0.5 2 608 69 69 TYR CE1 C 117.8000 0.5 3 609 69 69 TYR N N 122.6350 0.5 3 610 70 70 GLN H H 8.5730 0.04 1 611 70 70 GLN HA H 4.5900 0.04 1 612 70 70 GLN HB2 H 1.8100 0.04 2 613 70 70 GLN HB3 H 1.9900 0.04 2 614 70 70 GLN HG2 H 2.2030 0.04 2 615 70 70 GLN C C 175.6340 0.5 1 616 70 70 GLN CA C 54.1080 0.5 1 617 70 70 GLN CB C 29.9000 0.5 1 618 70 70 GLN CG C 33.4500 0.5 1 619 70 70 GLN N N 120.9840 0.5 1 620 71 71 PHE H H 9.2550 0.04 1 621 71 71 PHE HA H 4.9700 0.04 1 622 71 71 PHE HB2 H 2.6900 0.04 2 623 71 71 PHE HB3 H 2.8500 0.04 2 624 71 71 PHE HD1 H 6.8800 0.04 3 625 71 71 PHE C C 177.1490 0.5 1 626 71 71 PHE CA C 58.9760 0.5 1 627 71 71 PHE CB C 40.8370 0.5 1 628 71 71 PHE CD1 C 129.6000 0.5 2 629 71 71 PHE N N 127.3890 0.5 3 630 72 72 GLN H H 8.2730 0.04 1 631 72 72 GLN HA H 4.4400 0.04 1 632 72 72 GLN HB2 H 1.9200 0.04 2 633 72 72 GLN HB3 H 2.0400 0.04 2 634 72 72 GLN HG2 H 2.4400 0.04 2 635 72 72 GLN HG3 H 2.2100 0.04 2 636 72 72 GLN C C 176.7210 0.5 1 637 72 72 GLN CA C 54.7070 0.5 1 638 72 72 GLN CB C 29.9830 0.5 1 639 72 72 GLN CG C 34.7000 0.5 1 640 72 72 GLN N N 121.5140 0.5 1 641 73 73 ALA H H 8.2930 0.04 1 642 73 73 ALA HA H 4.2200 0.04 1 643 73 73 ALA HB H 1.4600 0.04 1 644 73 73 ALA C C 178.7760 0.5 1 645 73 73 ALA CA C 52.7510 0.5 1 646 73 73 ALA CB C 19.5590 0.5 1 647 73 73 ALA N N 122.4140 0.5 1 648 74 74 TRP H H 8.1360 0.04 1 649 74 74 TRP HA H 4.2600 0.04 1 650 74 74 TRP HB2 H 3.1300 0.04 2 651 74 74 TRP HB3 H 3.2800 0.04 2 652 74 74 TRP HE1 H 10.2000 0.04 1 653 74 74 TRP HZ2 H 7.3400 0.04 1 654 74 74 TRP HZ3 H 7.0300 0.04 1 655 74 74 TRP HH2 H 6.7500 0.04 1 656 74 74 TRP C C 178.2900 0.5 1 657 74 74 TRP CA C 58.9820 0.5 1 658 74 74 TRP CB C 30.6330 0.5 1 659 74 74 TRP CZ2 C 114.7000 0.5 1 660 74 74 TRP CZ3 C 123.4000 0.5 1 661 74 74 TRP CH2 C 124.4000 0.5 1 662 74 74 TRP N N 120.4120 0.5 1 663 74 74 TRP NE1 N 129.8000 0.5 1 664 75 75 GLY H H 8.7630 0.04 1 665 75 75 GLY HA2 H 4.1600 0.04 2 666 75 75 GLY HA3 H 4.4200 0.04 2 667 75 75 GLY C C 177.7000 0.5 1 668 75 75 GLY CA C 44.2870 0.5 1 669 75 75 GLY N N 109.8810 0.5 1 670 76 76 GLU H H 8.4000 0.04 1 671 76 76 GLU HA H 4.2300 0.04 1 672 76 76 GLU HB2 H 1.9600 0.04 2 673 76 76 GLU HB3 H 2.0600 0.04 2 674 76 76 GLU HG2 H 2.3700 0.04 2 675 76 76 GLU C C 177.7700 0.5 1 676 76 76 GLU CA C 55.7000 0.5 1 677 76 76 GLU CB C 30.6000 0.5 1 678 76 76 GLU CG C 36.1100 0.5 1 679 76 76 GLU N N 116.9000 0.5 1 680 77 77 CYS H H 8.9800 0.04 1 681 77 77 CYS HA H 4.1500 0.04 1 682 77 77 CYS HB2 H 2.7900 0.04 2 683 77 77 CYS HB3 H 2.9400 0.04 2 684 77 77 CYS C C 174.1170 0.5 1 685 77 77 CYS CA C 56.7060 0.5 1 686 77 77 CYS CB C 41.0560 0.5 1 687 77 77 CYS N N 121.8460 0.5 1 688 78 78 ASP H H 8.2790 0.04 1 689 78 78 ASP HA H 4.6800 0.04 1 690 78 78 ASP HB2 H 2.6400 0.04 2 691 78 78 ASP C C 176.8900 0.5 1 692 78 78 ASP CA C 53.4920 0.5 1 693 78 78 ASP CB C 41.8190 0.5 1 694 78 78 ASP N N 131.7280 0.5 1 695 79 79 LEU H H 8.7630 0.04 1 696 79 79 LEU HA H 3.9900 0.04 1 697 79 79 LEU HB2 H 1.6500 0.04 2 698 79 79 LEU HB3 H 1.6800 0.04 2 699 79 79 LEU HG H 1.5200 0.04 1 700 79 79 LEU HD1 H 0.8900 0.04 2 701 79 79 LEU HD2 H 0.8900 0.04 2 702 79 79 LEU C C 178.6270 0.5 1 703 79 79 LEU CA C 57.1790 0.5 1 704 79 79 LEU CB C 41.6420 0.5 1 705 79 79 LEU CG C 26.8900 0.5 1 706 79 79 LEU CD1 C 22.9200 0.5 2 707 79 79 LEU CD2 C 24.8100 0.5 2 708 79 79 LEU N N 127.1910 0.5 1 709 80 80 ASN H H 8.7460 0.04 1 710 80 80 ASN HA H 4.5900 0.04 1 711 80 80 ASN HB2 H 2.8030 0.04 2 712 80 80 ASN HB3 H 3.0400 0.04 2 713 80 80 ASN C C 176.9050 0.5 1 714 80 80 ASN CA C 55.8000 0.5 1 715 80 80 ASN CB C 39.1510 0.5 1 716 80 80 ASN N N 116.2380 0.5 1 717 81 81 THR H H 7.6660 0.04 1 718 81 81 THR HA H 4.2400 0.04 1 719 81 81 THR HB H 4.1900 0.04 1 720 81 81 THR HG2 H 1.1400 0.04 1 721 81 81 THR C C 174.7270 0.5 1 722 81 81 THR CA C 61.5400 0.5 1 723 81 81 THR CB C 70.9000 0.5 1 724 81 81 THR CG2 C 21.7200 0.5 1 725 81 81 THR N N 108.4590 0.5 1 726 82 82 ALA H H 8.6870 0.04 1 727 82 82 ALA HA H 3.8200 0.04 1 728 82 82 ALA HB H 1.4900 0.04 1 729 82 82 ALA C C 176.5060 0.5 1 730 82 82 ALA CA C 53.6030 0.5 1 731 82 82 ALA CB C 17.0130 0.5 1 732 82 82 ALA N N 122.8700 0.5 1 733 83 83 LEU H H 7.3530 0.04 1 734 83 83 LEU HA H 5.0310 0.04 1 735 83 83 LEU HB2 H 1.5900 0.04 2 736 83 83 LEU HG H 1.1400 0.04 1 737 83 83 LEU HD1 H 0.6500 0.04 2 738 83 83 LEU HD2 H 0.7300 0.04 2 739 83 83 LEU C C 177.6160 0.5 1 740 83 83 LEU CA C 54.0980 0.5 1 741 83 83 LEU CB C 46.6220 0.5 1 742 83 83 LEU CG C 25.3600 0.5 1 743 83 83 LEU CD1 C 22.9200 0.5 2 744 83 83 LEU CD2 C 23.4000 0.5 2 745 83 83 LEU N N 117.3740 0.5 1 746 84 84 LYS H H 9.0430 0.04 1 747 84 84 LYS HA H 4.9400 0.04 1 748 84 84 LYS HB2 H 1.6600 0.04 2 749 84 84 LYS HG2 H 1.1200 0.04 2 750 84 84 LYS HD2 H 1.2900 0.04 2 751 84 84 LYS C C 175.4490 0.5 1 752 84 84 LYS CA C 54.2870 0.5 1 753 84 84 LYS CB C 36.0600 0.5 1 754 84 84 LYS CG C 23.7800 0.5 1 755 84 84 LYS CD C 29.9300 0.5 1 756 84 84 LYS CE C 41.7600 0.5 1 757 84 84 LYS N N 122.0530 0.5 1 758 85 85 THR H H 9.0110 0.04 1 759 85 85 THR HA H 5.8200 0.04 1 760 85 85 THR HB H 3.9500 0.04 1 761 85 85 THR HG2 H 1.1400 0.04 1 762 85 85 THR C C 174.1230 0.5 1 763 85 85 THR CA C 61.2260 0.5 1 764 85 85 THR CB C 72.8570 0.5 1 765 85 85 THR CG2 C 21.8600 0.5 1 766 85 85 THR N N 114.8960 0.5 1 767 86 86 ARG H H 9.0560 0.04 1 768 86 86 ARG C C 173.7920 0.5 1 769 86 86 ARG CA C 56.7200 0.5 1 770 86 86 ARG CB C 33.1850 0.5 1 771 86 86 ARG N N 123.8040 0.5 1 772 87 87 THR H H 8.3870 0.04 1 773 87 87 THR HA H 5.2700 0.04 1 774 87 87 THR HB H 3.9200 0.04 1 775 87 87 THR HG2 H 1.1400 0.04 1 776 87 87 THR C C 173.9390 0.5 1 777 87 87 THR CA C 61.0030 0.5 1 778 87 87 THR CB C 71.0910 0.5 1 779 87 87 THR CG2 C 21.5300 0.5 1 780 87 87 THR N N 117.7960 0.5 1 781 88 88 GLY H H 9.0740 0.04 1 782 88 88 GLY HA2 H 4.7030 0.04 2 783 88 88 GLY C C 171.6450 0.5 1 784 88 88 GLY CA C 44.6570 0.5 1 785 88 88 GLY N N 112.5010 0.5 1 786 89 89 SER H H 8.2170 0.04 1 787 89 89 SER HA H 5.2600 0.04 1 788 89 89 SER HB2 H 3.7700 0.04 2 789 89 89 SER C C 174.7670 0.5 1 790 89 89 SER CA C 56.5120 0.5 1 791 89 89 SER CB C 65.4340 0.5 1 792 89 89 SER N N 115.8020 0.5 1 793 90 90 LEU H H 8.5550 0.04 1 794 90 90 LEU HA H 3.4200 0.04 1 795 90 90 LEU HB2 H 1.6400 0.04 2 796 90 90 LEU HG H 0.6200 0.04 1 797 90 90 LEU HD1 H 0.3170 0.04 2 798 90 90 LEU C C 176.3990 0.5 1 799 90 90 LEU CA C 56.5580 0.5 1 800 90 90 LEU CB C 43.0060 0.5 1 801 90 90 LEU CG C 26.5800 0.5 1 802 90 90 LEU CD1 C 21.9600 0.5 2 803 90 90 LEU N N 128.5950 0.5 1 804 91 91 LYS H H 9.0650 0.04 1 805 91 91 LYS HA H 4.3300 0.04 1 806 91 91 LYS HB2 H 1.5500 0.04 2 807 91 91 LYS HG2 H 1.2800 0.04 2 808 91 91 LYS HD2 H 1.4030 0.04 2 809 91 91 LYS HE2 H 2.8500 0.04 2 810 91 91 LYS C C 176.3180 0.5 1 811 91 91 LYS CA C 56.1030 0.5 1 812 91 91 LYS CB C 33.5650 0.5 1 813 91 91 LYS CG C 24.4900 0.5 1 814 91 91 LYS CD C 28.5400 0.5 1 815 91 91 LYS CE C 41.6700 0.5 1 816 91 91 LYS N N 128.6460 0.5 1 817 92 92 ARG H H 7.6410 0.04 1 818 92 92 ARG HA H 4.2200 0.04 1 819 92 92 ARG HB2 H 1.6300 0.04 2 820 92 92 ARG HG2 H 1.4700 0.04 2 821 92 92 ARG HD2 H 3.1200 0.04 2 822 92 92 ARG C C 173.2590 0.5 1 823 92 92 ARG CA C 56.2590 0.5 1 824 92 92 ARG CB C 32.6230 0.5 1 825 92 92 ARG CG C 26.5900 0.5 1 826 92 92 ARG CD C 43.4200 0.5 1 827 92 92 ARG N N 118.8340 0.5 1 828 93 93 ALA H H 8.4510 0.04 1 829 93 93 ALA HA H 4.8700 0.04 1 830 93 93 ALA HB H 1.2900 0.04 1 831 93 93 ALA C C 177.0370 0.5 1 832 93 93 ALA CA C 50.9490 0.5 1 833 93 93 ALA CB C 21.6640 0.5 1 834 93 93 ALA N N 127.5740 0.5 1 835 94 94 LEU H H 8.6540 0.04 1 836 94 94 LEU HA H 4.2500 0.04 1 837 94 94 LEU HB2 H 1.5040 0.04 2 838 94 94 LEU HG H 1.1600 0.04 1 839 94 94 LEU HD1 H 0.7850 0.04 2 840 94 94 LEU HD2 H 0.7850 0.04 2 841 94 94 LEU C C 177.2560 0.5 1 842 94 94 LEU CA C 55.1370 0.5 1 843 94 94 LEU CB C 42.6970 0.5 1 844 94 94 LEU CG C 27.1700 0.5 1 845 94 94 LEU CD1 C 23.1900 0.5 2 846 94 94 LEU CD2 C 24.7900 0.5 2 847 94 94 LEU N N 123.2960 0.5 1 848 95 95 HIS H H 8.6420 0.04 1 849 95 95 HIS HA H 4.4300 0.04 1 850 95 95 HIS HB2 H 3.2100 0.04 2 851 95 95 HIS HD2 H 7.1700 0.04 1 852 95 95 HIS HE1 H 8.3600 0.04 1 853 95 95 HIS C C 174.8010 0.5 1 854 95 95 HIS CA C 56.4000 0.5 1 855 95 95 HIS CB C 28.2180 0.5 1 856 95 95 HIS CD2 C 119.8000 0.5 1 857 95 95 HIS CE1 C 136.5000 0.5 1 858 95 95 HIS N N 116.4130 0.5 1 859 96 96 ASN H H 8.4610 0.04 1 860 96 96 ASN HA H 4.4500 0.04 1 861 96 96 ASN HB2 H 2.8700 0.04 2 862 96 96 ASN HD21 H 7.7800 0.04 2 863 96 96 ASN C C 175.0260 0.5 1 864 96 96 ASN CA C 53.6920 0.5 1 865 96 96 ASN CB C 38.0560 0.5 1 866 96 96 ASN N N 115.8240 0.5 1 867 97 97 ALA H H 7.7910 0.04 1 868 97 97 ALA HA H 4.1300 0.04 1 869 97 97 ALA HB H 1.3700 0.04 1 870 97 97 ALA C C 177.3370 0.5 1 871 97 97 ALA CA C 53.4300 0.5 1 872 97 97 ALA CB C 20.2040 0.5 1 873 97 97 ALA N N 122.5580 0.5 1 874 98 98 GLU H H 8.4780 0.04 1 875 98 98 GLU HA H 4.3200 0.04 1 876 98 98 GLU HB2 H 1.9500 0.04 2 877 98 98 GLU HG2 H 2.2500 0.04 2 878 98 98 GLU C C 176.1540 0.5 1 879 98 98 GLU CA C 56.6300 0.5 1 880 98 98 GLU CB C 29.4960 0.5 1 881 98 98 GLU CG C 36.0800 0.5 1 882 98 98 GLU N N 120.5040 0.5 1 883 99 99 CYS H H 7.9780 0.04 1 884 99 99 CYS HA H 4.8200 0.04 1 885 99 99 CYS HB2 H 2.6040 0.04 2 886 99 99 CYS HB3 H 2.9030 0.04 2 887 99 99 CYS C C 174.7110 0.5 1 888 99 99 CYS CA C 53.9850 0.5 1 889 99 99 CYS CB C 44.1770 0.5 1 890 99 99 CYS N N 122.3990 0.5 1 891 100 100 GLN H H 8.8640 0.04 1 892 100 100 GLN HA H 4.3000 0.04 1 893 100 100 GLN HB2 H 1.9200 0.04 2 894 100 100 GLN HB3 H 2.1800 0.04 2 895 100 100 GLN HG2 H 2.5200 0.04 2 896 100 100 GLN C C 178.3170 0.5 1 897 100 100 GLN CA C 56.1570 0.5 1 898 100 100 GLN CB C 29.3030 0.5 1 899 100 100 GLN CG C 34.1300 0.5 1 900 100 100 GLN N N 123.5390 0.5 1 901 101 101 LYS H H 9.0630 0.04 1 902 101 101 LYS HA H 4.0200 0.04 1 903 101 101 LYS HB2 H 1.9500 0.04 2 904 101 101 LYS HG2 H 1.6100 0.04 2 905 101 101 LYS HD2 H 1.7700 0.04 2 906 101 101 LYS HE2 H 3.0300 0.04 2 907 101 101 LYS C C 176.6690 0.5 1 908 101 101 LYS CA C 59.8760 0.5 1 909 101 101 LYS CB C 32.7600 0.5 1 910 101 101 LYS CG C 25.4600 0.5 1 911 101 101 LYS CD C 28.9300 0.5 1 912 101 101 LYS CE C 42.0300 0.5 1 913 101 101 LYS N N 125.1530 0.5 1 914 102 102 THR H H 7.7060 0.04 1 915 102 102 THR HA H 5.2600 0.04 1 916 102 102 THR HB H 3.9800 0.04 1 917 102 102 THR HG2 H 1.1400 0.04 1 918 102 102 THR C C 173.0970 0.5 1 919 102 102 THR CA C 59.9220 0.5 1 920 102 102 THR CB C 71.7880 0.5 1 921 102 102 THR CG2 C 21.7600 0.5 1 922 102 102 THR N N 111.2080 0.5 1 923 103 103 VAL H H 8.1920 0.04 1 924 103 103 VAL HA H 4.5100 0.04 1 925 103 103 VAL HB H 1.5400 0.04 1 926 103 103 VAL HG1 H 0.2300 0.04 2 927 103 103 VAL HG2 H -0.1100 0.04 2 928 103 103 VAL C C 174.1320 0.5 1 929 103 103 VAL CA C 59.5380 0.5 1 930 103 103 VAL CB C 35.5230 0.5 1 931 103 103 VAL CG1 C 21.4000 0.5 2 932 103 103 VAL CG2 C 17.5400 0.5 2 933 103 103 VAL N N 117.3950 0.5 1 934 104 104 THR H H 8.3320 0.04 1 935 104 104 THR HA H 5.0980 0.04 1 936 104 104 THR HB H 3.8600 0.04 1 937 104 104 THR HG2 H 1.0800 0.04 1 938 104 104 THR C C 173.6460 0.5 1 939 104 104 THR CA C 61.4580 0.5 1 940 104 104 THR CB C 71.1770 0.5 1 941 104 104 THR CG2 C 21.6200 0.5 1 942 104 104 THR N N 117.8620 0.5 1 943 105 105 ILE H H 8.8680 0.04 1 944 105 105 ILE HA H 4.6700 0.04 1 945 105 105 ILE HB H 1.7200 0.04 1 946 105 105 ILE HG12 H 1.2400 0.04 2 947 105 105 ILE HG2 H 0.9600 0.04 1 948 105 105 ILE HD1 H 0.5300 0.04 1 949 105 105 ILE C C 174.2960 0.5 1 950 105 105 ILE CA C 59.6950 0.5 1 951 105 105 ILE CB C 41.1160 0.5 1 952 105 105 ILE CG1 C 27.2200 0.5 1 953 105 105 ILE CG2 C 17.9700 0.5 1 954 105 105 ILE CD1 C 13.2500 0.5 1 955 105 105 ILE N N 124.4310 0.5 1 956 106 106 SER H H 8.5590 0.04 1 957 106 106 SER HA H 3.7600 0.04 1 958 106 106 SER HB2 H 3.7600 0.04 2 959 106 106 SER C C 173.4410 0.5 1 960 106 106 SER CA C 56.8770 0.5 1 961 106 106 SER CB C 67.1150 0.5 1 962 106 106 SER N N 118.4300 0.5 1 963 107 107 LYS H H 9.0600 0.04 1 964 107 107 LYS CA C 53.6250 0.5 1 965 107 107 LYS CB C 35.5150 0.5 1 966 107 107 LYS N N 121.9760 0.5 1 967 108 108 PRO HA H 4.9400 0.04 1 968 108 108 PRO HB2 H 2.4500 0.04 2 969 108 108 PRO HG2 H 1.8100 0.04 2 970 108 108 PRO HG3 H 1.9900 0.04 2 971 108 108 PRO HD2 H 3.8200 0.04 2 972 108 108 PRO HD3 H 4.1600 0.04 2 973 108 108 PRO C C 176.7410 0.5 1 974 108 108 PRO CA C 62.8700 0.5 1 975 108 108 PRO CB C 32.5900 0.5 1 976 108 108 PRO CG C 27.5300 0.5 1 977 108 108 PRO CD C 51.4900 0.5 1 978 109 109 CYS H H 8.2370 0.04 1 979 109 109 CYS HA H 4.5010 0.04 1 980 109 109 CYS HB2 H 2.9500 0.04 2 981 109 109 CYS HB3 H 3.2500 0.04 2 982 109 109 CYS C C 173.3690 0.5 1 983 109 109 CYS CA C 55.9500 0.5 1 984 109 109 CYS CB C 44.6200 0.5 1 985 109 109 CYS N N 118.3130 0.5 1 986 110 110 GLY H H 8.2200 0.04 1 987 110 110 GLY HA2 H 3.9000 0.04 2 988 110 110 GLY C C 173.4550 0.5 1 989 110 110 GLY CA C 45.2760 0.5 1 990 110 110 GLY N N 108.6770 0.5 1 991 111 111 LYS H H 8.2390 0.04 1 992 111 111 LYS HA H 4.2700 0.04 1 993 111 111 LYS HB2 H 1.7500 0.04 2 994 111 111 LYS HG2 H 1.4200 0.04 2 995 111 111 LYS HE2 H 2.9900 0.04 2 996 111 111 LYS C C 176.5970 0.5 1 997 111 111 LYS CA C 56.4200 0.5 1 998 111 111 LYS CB C 33.4700 0.5 1 999 111 111 LYS CG C 26.2300 0.5 1 1000 111 111 LYS CD C 29.0100 0.5 1 1001 111 111 LYS CE C 42.1200 0.5 1 1002 111 111 LYS N N 121.3610 0.5 1 1003 112 112 LEU H H 8.3400 0.04 1 1004 112 112 LEU HA H 4.4100 0.04 1 1005 112 112 LEU HB2 H 1.5900 0.04 2 1006 112 112 LEU HD1 H 0.8800 0.04 2 1007 112 112 LEU C C 177.4040 0.5 1 1008 112 112 LEU CA C 55.1500 0.5 1 1009 112 112 LEU CB C 42.3490 0.5 1 1010 112 112 LEU CG C 26.9900 0.5 1 1011 112 112 LEU CD1 C 24.8600 0.5 2 1012 112 112 LEU CD2 C 23.5600 0.5 2 1013 112 112 LEU N N 123.9710 0.5 1 1014 113 113 THR H H 8.1500 0.04 1 1015 113 113 THR HA H 4.3100 0.04 1 1016 113 113 THR HB H 4.1300 0.04 1 1017 113 113 THR HG2 H 1.1500 0.04 1 1018 113 113 THR C C 174.0820 0.5 1 1019 113 113 THR CA C 61.6760 0.5 1 1020 113 113 THR CB C 69.0900 0.5 1 1021 113 113 THR CG2 C 21.7600 0.5 1 1022 113 113 THR N N 116.6530 0.5 1 1023 114 114 LYS H H 8.2900 0.04 1 1024 114 114 LYS CA C 54.1570 0.5 1 1025 114 114 LYS CB C 32.8200 0.5 1 1026 114 114 LYS N N 125.7700 0.5 1 1027 115 115 PRO HA H 4.3500 0.04 1 1028 115 115 PRO HB2 H 2.2700 0.04 2 1029 115 115 PRO HB3 H 1.9800 0.04 2 1030 115 115 PRO HG2 H 1.7800 0.04 2 1031 115 115 PRO HD2 H 3.5900 0.04 2 1032 115 115 PRO HD3 H 3.8200 0.04 2 1033 115 115 PRO C C 176.6790 0.5 1 1034 115 115 PRO CA C 62.9600 0.5 1 1035 115 115 PRO CB C 31.8600 0.5 1 1036 115 115 PRO CG C 27.1900 0.5 1 1037 115 115 PRO CD C 50.8400 0.5 1 1038 116 116 LYS H H 8.4410 0.04 1 1039 116 116 LYS CA C 54.3380 0.5 1 1040 116 116 LYS CB C 32.9130 0.5 1 1041 116 116 LYS N N 123.8180 0.5 1 1042 117 117 PRO HA H 4.4030 0.04 1 1043 117 117 PRO HB2 H 2.2900 0.04 2 1044 117 117 PRO HG2 H 1.9400 0.04 2 1045 117 117 PRO HD2 H 3.6400 0.04 2 1046 117 117 PRO HD3 H 3.8200 0.04 2 1047 117 117 PRO C C 177.0380 0.5 1 1048 117 117 PRO CA C 63.3600 0.5 1 1049 117 117 PRO CB C 32.0600 0.5 1 1050 117 117 PRO CG C 27.3900 0.5 1 1051 117 117 PRO CD C 50.7200 0.5 1 1052 118 118 GLN H H 8.5100 0.04 1 1053 118 118 GLN HA H 4.2700 0.04 1 1054 118 118 GLN HB2 H 2.0300 0.04 2 1055 118 118 GLN HG2 H 2.3900 0.04 2 1056 118 118 GLN C C 175.9630 0.5 1 1057 118 118 GLN CA C 55.9160 0.5 1 1058 118 118 GLN CB C 29.7430 0.5 1 1059 118 118 GLN CG C 33.7400 0.5 1 1060 118 118 GLN N N 121.5960 0.5 1 1061 119 119 ALA H H 8.3890 0.04 1 1062 119 119 ALA HA H 4.2700 0.04 1 1063 119 119 ALA HB H 1.3900 0.04 1 1064 119 119 ALA C C 177.9210 0.5 1 1065 119 119 ALA CA C 52.7650 0.5 1 1066 119 119 ALA CB C 19.5010 0.5 1 1067 119 119 ALA N N 126.0730 0.5 1 1068 120 120 GLU H H 8.4410 0.04 1 1069 120 120 GLU HA H 4.2600 0.04 1 1070 120 120 GLU HB2 H 1.9900 0.04 2 1071 120 120 GLU HG2 H 2.2700 0.04 2 1072 120 120 GLU C C 176.8190 0.5 1 1073 120 120 GLU CA C 56.6800 0.5 1 1074 120 120 GLU CB C 30.4820 0.5 1 1075 120 120 GLU CG C 36.2000 0.5 1 1076 120 120 GLU N N 121.1070 0.5 1 1077 121 121 SER H H 8.3790 0.04 1 1078 121 121 SER HA H 4.4100 0.04 1 1079 121 121 SER HB2 H 3.8500 0.04 2 1080 121 121 SER HB3 H 3.8900 0.04 2 1081 121 121 SER C C 174.8920 0.5 1 1082 121 121 SER CA C 58.5480 0.5 1 1083 121 121 SER CB C 63.6680 0.5 1 1084 121 121 SER N N 117.7910 0.5 1 1085 122 122 LYS H H 8.3290 0.04 1 1086 122 122 LYS CA C 56.4740 0.5 1 1087 122 122 LYS CB C 33.3350 0.5 1 1088 122 122 LYS N N 123.9550 0.5 1 1089 125 125 LYS HA H 4.3100 0.04 1 1090 125 125 LYS HB2 H 1.7900 0.04 2 1091 125 125 LYS HG2 H 1.4300 0.04 2 1092 125 125 LYS HE2 H 2.9900 0.04 2 1093 125 125 LYS C C 176.7210 0.5 1 1094 125 125 LYS CA C 56.5800 0.5 1 1095 125 125 LYS CB C 32.8100 0.5 1 1096 125 125 LYS CG C 24.7700 0.5 1 1097 125 125 LYS CD C 30.1100 0.5 1 1098 125 125 LYS CE C 42.1800 0.5 1 1099 126 126 LYS H H 8.1690 0.04 1 1100 126 126 LYS HA H 4.3200 0.04 1 1101 126 126 LYS HB2 H 1.7700 0.04 2 1102 126 126 LYS HG2 H 1.4400 0.04 2 1103 126 126 LYS HE2 H 3.0200 0.04 2 1104 126 126 LYS C C 176.5120 0.5 1 1105 126 126 LYS CA C 56.4400 0.5 1 1106 126 126 LYS CB C 33.0570 0.5 1 1107 126 126 LYS CG C 24.7100 0.5 1 1108 126 126 LYS CD C 29.2000 0.5 1 1109 126 126 LYS CE C 42.1300 0.5 1 1110 126 126 LYS N N 122.5690 0.5 1 1111 127 127 GLU H H 8.4590 0.04 1 1112 127 127 GLU HA H 4.3100 0.04 1 1113 127 127 GLU HB2 H 1.9900 0.04 2 1114 127 127 GLU HG2 H 2.2700 0.04 2 1115 127 127 GLU C C 176.8000 0.5 1 1116 127 127 GLU CA C 56.4740 0.5 1 1117 127 127 GLU CB C 30.6200 0.5 1 1118 127 127 GLU CG C 36.2100 0.5 1 1119 127 127 GLU N N 123.4500 0.5 1 1120 128 128 GLY H H 8.4400 0.04 1 1121 128 128 GLY CA C 45.3000 0.5 1 1122 128 128 GLY N N 110.8000 0.5 1 1123 129 129 LYS HA H 4.2700 0.04 1 1124 129 129 LYS HB2 H 2.2500 0.04 2 1125 129 129 LYS HG2 H 1.4100 0.04 2 1126 129 129 LYS HD2 H 1.7700 0.04 2 1127 129 129 LYS HE2 H 2.9900 0.04 2 1128 129 129 LYS C C 176.5160 0.5 1 1129 129 129 LYS CA C 56.4800 0.5 1 1130 129 129 LYS CB C 32.8600 0.5 1 1131 129 129 LYS CG C 24.7100 0.5 1 1132 129 129 LYS CD C 30.5900 0.5 1 1133 129 129 LYS CE C 42.0100 0.5 1 1134 130 130 LYS H H 8.4090 0.04 1 1135 130 130 LYS HA H 4.2700 0.04 1 1136 130 130 LYS HB2 H 1.7700 0.04 2 1137 130 130 LYS HG2 H 1.4200 0.04 2 1138 130 130 LYS HE2 H 2.9800 0.04 2 1139 130 130 LYS C C 176.5450 0.5 1 1140 130 130 LYS CA C 56.4950 0.5 1 1141 130 130 LYS CB C 33.0200 0.5 1 1142 130 130 LYS CG C 24.5700 0.5 1 1143 130 130 LYS CD C 29.0200 0.5 1 1144 130 130 LYS CE C 42.1500 0.5 1 1145 130 130 LYS N N 124.0710 0.5 1 1146 131 131 GLN H H 8.4670 0.04 1 1147 131 131 GLN HA H 4.4400 0.04 1 1148 131 131 GLN HB2 H 2.0300 0.04 2 1149 131 131 GLN HG2 H 2.3600 0.04 2 1150 131 131 GLN C C 175.8660 0.5 1 1151 131 131 GLN CA C 56.0160 0.5 1 1152 131 131 GLN CB C 29.6630 0.5 1 1153 131 131 GLN CG C 33.5300 0.5 1 1154 131 131 GLN N N 122.7100 0.5 1 1155 132 132 GLU H H 8.4900 0.04 1 1156 132 132 GLU HA H 4.2500 0.04 1 1157 132 132 GLU HB2 H 1.9600 0.04 2 1158 132 132 GLU HG2 H 2.2600 0.04 2 1159 132 132 GLU C C 176.3540 0.5 1 1160 132 132 GLU CA C 56.5370 0.5 1 1161 132 132 GLU CB C 30.6140 0.5 1 1162 132 132 GLU CG C 36.1100 0.5 1 1163 132 132 GLU N N 123.5860 0.5 1 1164 133 133 LYS H H 8.3730 0.04 1 1165 133 133 LYS HA H 4.2800 0.04 1 1166 133 133 LYS HB2 H 1.7600 0.04 2 1167 133 133 LYS HG2 H 1.4100 0.04 2 1168 133 133 LYS HE2 H 3.0050 0.04 2 1169 133 133 LYS C C 176.2320 0.5 1 1170 133 133 LYS CA C 56.3110 0.5 1 1171 133 133 LYS CB C 33.1370 0.5 1 1172 133 133 LYS CG C 24.6200 0.5 1 1173 133 133 LYS CD C 28.8900 0.5 1 1174 133 133 LYS CE C 42.0400 0.5 1 1175 133 133 LYS N N 123.9180 0.5 1 1176 134 134 MET H H 8.4360 0.04 1 1177 134 134 MET HA H 4.4800 0.04 1 1178 134 134 MET HB2 H 2.0500 0.04 2 1179 134 134 MET HG2 H 2.5700 0.04 2 1180 134 134 MET C C 175.9460 0.5 1 1181 134 134 MET CA C 55.5630 0.5 1 1182 134 134 MET CB C 32.0100 0.5 1 1183 134 134 MET CG C 30.6200 0.5 1 1184 134 134 MET N N 122.9940 0.5 1 1185 135 135 LEU H H 8.2850 0.04 1 1186 135 135 LEU HA H 4.3800 0.04 1 1187 135 135 LEU HB2 H 1.6200 0.04 2 1188 135 135 LEU HG H 1.4200 0.04 1 1189 135 135 LEU HD1 H 0.8900 0.04 2 1190 135 135 LEU C C 176.1580 0.5 1 1191 135 135 LEU CA C 55.2250 0.5 1 1192 135 135 LEU CB C 42.6540 0.5 1 1193 135 135 LEU CG C 26.7600 0.5 1 1194 135 135 LEU CD1 C 25.0200 0.5 2 1195 135 135 LEU CD2 C 23.3600 0.5 2 1196 135 135 LEU N N 124.4540 0.5 1 1197 136 136 ASP H H 7.8810 0.04 1 1198 136 136 ASP CA C 55.7290 0.5 1 1199 136 136 ASP CB C 42.4150 0.5 1 1200 136 136 ASP N N 126.9470 0.5 1 stop_ save_