data_19332 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for p15(PAF) ; _BMRB_accession_number 19332 _BMRB_flat_file_name bmr19332.str _Entry_type original _Submission_date 2013-07-01 _Accession_date 2013-07-01 _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 'De Biasio' Alfredo . . 2 'Ibanez de Opakua' Alain . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 225 "13C chemical shifts" 422 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-27 update BMRB 'update entry citation' 2013-07-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'p15PAF is an intrinsically disordered protein with nonrandom structural preferences at sites of interaction with other proteins.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24559989 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Biasio' Alfredo . . 2 'Ibanez de Opakua' Alain . . 3 Cordeiro Tiago N. . 4 Villate Maider . . 5 Merino Nekane . . 6 Sibille Nathalie . . 7 Lelli Moreno . . 8 Diercks Tammo . . 9 Bernado Pau . . 10 Blanco Francisco J. . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_name_full 'Biophysical journal' _Journal_volume 106 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 865 _Page_last 874 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name p15(PAF) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label p15(PAF) $p15(PAF) stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_p15(PAF) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p15(PAF) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; MVRTKADSVPGTYRKVVAAR APRKVLGSSTSATNSTSVSS RKAENKYAGGNPVCVRPTPK WQKGIGEFFRLSPKDSEKEN QIPEEAGSSGLGKAKRKACP LQPDHTNDEKE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 ARG 4 THR 5 LYS 6 ALA 7 ASP 8 SER 9 VAL 10 PRO 11 GLY 12 THR 13 TYR 14 ARG 15 LYS 16 VAL 17 VAL 18 ALA 19 ALA 20 ARG 21 ALA 22 PRO 23 ARG 24 LYS 25 VAL 26 LEU 27 GLY 28 SER 29 SER 30 THR 31 SER 32 ALA 33 THR 34 ASN 35 SER 36 THR 37 SER 38 VAL 39 SER 40 SER 41 ARG 42 LYS 43 ALA 44 GLU 45 ASN 46 LYS 47 TYR 48 ALA 49 GLY 50 GLY 51 ASN 52 PRO 53 VAL 54 CYS 55 VAL 56 ARG 57 PRO 58 THR 59 PRO 60 LYS 61 TRP 62 GLN 63 LYS 64 GLY 65 ILE 66 GLY 67 GLU 68 PHE 69 PHE 70 ARG 71 LEU 72 SER 73 PRO 74 LYS 75 ASP 76 SER 77 GLU 78 LYS 79 GLU 80 ASN 81 GLN 82 ILE 83 PRO 84 GLU 85 GLU 86 ALA 87 GLY 88 SER 89 SER 90 GLY 91 LEU 92 GLY 93 LYS 94 ALA 95 LYS 96 ARG 97 LYS 98 ALA 99 CYS 100 PRO 101 LEU 102 GLN 103 PRO 104 ASP 105 HIS 106 THR 107 ASN 108 ASP 109 GLU 110 LYS 111 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-19 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 DBJ BAA03491 "KIAA0101 [Homo sapiens]" 100.00 130 100.00 100.00 1.02e-73 DBJ BAF83437 "unnamed protein product [Homo sapiens]" 100.00 111 100.00 100.00 4.43e-74 DBJ BAG72594 "KIAA0101 [synthetic construct]" 100.00 111 100.00 100.00 4.43e-74 GB AAH05832 "KIAA0101 [Homo sapiens]" 100.00 111 100.00 100.00 4.43e-74 GB AAH07101 "KIAA0101 [Homo sapiens]" 100.00 111 100.00 100.00 4.43e-74 GB AAH16782 "KIAA0101 [Homo sapiens]" 100.00 111 100.00 100.00 4.43e-74 GB AAQ09604 "NS5ATP9 [Homo sapiens]" 100.00 111 100.00 100.00 4.43e-74 GB AAT06735 "L5 [Homo sapiens]" 100.00 111 100.00 100.00 4.43e-74 REF NP_001177672 "PCNA-associated factor [Macaca mulatta]" 100.00 111 97.30 97.30 3.59e-71 REF NP_055551 "PCNA-associated factor isoform 1 [Homo sapiens]" 100.00 111 100.00 100.00 4.43e-74 REF XP_003778522 "PREDICTED: PCNA-associated factor isoform X1 [Pongo abelii]" 100.00 111 99.10 100.00 1.17e-73 REF XP_003828000 "PREDICTED: PCNA-associated factor isoform X1 [Pan paniscus]" 100.00 111 100.00 100.00 4.43e-74 REF XP_003952718 "PREDICTED: PCNA-associated factor isoform X1 [Pan troglodytes]" 100.00 111 100.00 100.00 4.43e-74 SP Q15004 "RecName: Full=PCNA-associated factor; AltName: Full=Hepatitis C virus NS5A-transactivated protein 9; Short=HCV NS5A-transactiva" 100.00 111 100.00 100.00 4.43e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p15(PAF) Human 9606 Eukaryota Metazoa Homo sapiens 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 $p15(PAF) 'recombinant technology' . Escherichia coli . pet11d 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 $p15(PAF) 0.9 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CA)HA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $sample_1 save_ save_3D_HN(CACO)HA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CACO)HA' _Sample_label $sample_1 save_ save_3D_CC(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _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 pH 6.6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 p15(PAF) _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 3 3 ARG HA H 4.472 0.01 1 2 3 3 ARG C C 176.141 0.05 1 3 3 3 ARG CA C 56.244 0.1 1 4 3 3 ARG CB C 30.901 0.1 1 5 3 3 ARG CG C 27.096 0.1 1 6 4 4 THR H H 8.421 0.01 1 7 4 4 THR HA H 4.341 0.01 1 8 4 4 THR C C 174.474 0.05 1 9 4 4 THR CA C 61.635 0.1 1 10 4 4 THR CB C 70.231 0.1 1 11 4 4 THR CG2 C 21.589 0.1 1 12 4 4 THR N N 117.023 0.05 1 13 5 5 LYS H H 8.420 0.01 1 14 5 5 LYS HA H 4.259 0.01 1 15 5 5 LYS C C 176.395 0.05 1 16 5 5 LYS CA C 56.551 0.1 1 17 5 5 LYS CB C 33.138 0.1 1 18 5 5 LYS N N 123.78 0.05 1 19 6 6 ALA H H 8.360 0.01 1 20 6 6 ALA HA H 4.278 0.01 1 21 6 6 ALA C C 177.487 0.05 1 22 6 6 ALA CA C 52.68 0.1 1 23 6 6 ALA CB C 19.233 0.1 1 24 6 6 ALA N N 125.493 0.05 1 25 7 7 ASP H H 8.214 0.01 1 26 7 7 ASP HA H 4.572 0.01 1 27 7 7 ASP C C 176.25 0.05 1 28 7 7 ASP CA C 54.399 0.1 1 29 7 7 ASP CB C 41.209 0.1 1 30 7 7 ASP N N 119.438 0.05 1 31 8 8 SER H H 8.128 0.01 1 32 8 8 SER HA H 4.435 0.01 1 33 8 8 SER C C 174.118 0.05 1 34 8 8 SER CA C 58.246 0.1 1 35 8 8 SER CB C 63.912 0.1 1 36 8 8 SER N N 115.63 0.05 1 37 9 9 VAL H H 8.122 0.01 1 38 9 9 VAL HA H 4.399 0.01 1 39 9 9 VAL C C 174.611 0.05 1 40 9 9 VAL CA C 60.091 0.1 1 41 9 9 VAL CB C 32.535 0.1 1 42 9 9 VAL N N 123.047 0.05 1 43 10 10 PRO HA H 4.391 0.01 1 44 10 10 PRO C C 177.575 0.05 1 45 10 10 PRO CA C 63.601 0.1 1 46 10 10 PRO CB C 32.181 0.1 1 47 10 10 PRO CG C 27.372 0.1 1 48 10 10 PRO CD C 51.014 0.1 1 49 11 11 GLY H H 8.480 0.01 1 50 11 11 GLY HA2 H 3.973 0.01 2 51 11 11 GLY C C 174.403 0.05 1 52 11 11 GLY CA C 45.447 0.1 1 53 11 11 GLY N N 109.116 0.05 1 54 12 12 THR H H 7.889 0.01 1 55 12 12 THR HA H 4.229 0.01 1 56 12 12 THR C C 174.3 0.05 1 57 12 12 THR CA C 62.136 0.1 1 58 12 12 THR CB C 69.845 0.1 1 59 12 12 THR CG2 C 21.469 0.1 1 60 12 12 THR N N 113.32 0.05 1 61 13 13 TYR H H 8.186 0.01 1 62 13 13 TYR HA H 4.530 0.01 1 63 13 13 TYR C C 175.409 0.05 1 64 13 13 TYR CA C 58.013 0.1 1 65 13 13 TYR CB C 38.765 0.1 1 66 13 13 TYR N N 122.901 0.05 1 67 14 14 ARG H H 8.059 0.01 1 68 14 14 ARG HA H 4.215 0.01 1 69 14 14 ARG C C 175.387 0.05 1 70 14 14 ARG CA C 55.737 0.1 1 71 14 14 ARG CB C 31.067 0.1 1 72 14 14 ARG CD C 43.34 0.1 1 73 14 14 ARG N N 123.624 0.05 1 74 15 15 LYS H H 8.208 0.01 1 75 15 15 LYS HA H 4.221 0.01 1 76 15 15 LYS C C 176.298 0.05 1 77 15 15 LYS CA C 56.382 0.1 1 78 15 15 LYS CB C 33.036 0.1 1 79 15 15 LYS CG C 24.813 0.1 1 80 15 15 LYS CD C 29.163 0.1 1 81 15 15 LYS CE C 42.128 0.1 1 82 15 15 LYS N N 123.458 0.05 1 83 16 16 VAL H H 8.198 0.01 1 84 16 16 VAL HA H 4.065 0.01 1 85 16 16 VAL C C 176.027 0.05 1 86 16 16 VAL CA C 62.322 0.1 1 87 16 16 VAL CB C 32.883 0.1 1 88 16 16 VAL CG1 C 20.855 0.1 2 89 16 16 VAL N N 123.16 0.05 1 90 17 17 VAL H H 8.258 0.01 1 91 17 17 VAL HA H 4.057 0.01 1 92 17 17 VAL C C 175.671 0.05 1 93 17 17 VAL CA C 62.112 0.1 1 94 17 17 VAL CB C 32.856 0.1 1 95 17 17 VAL CG1 C 20.899 0.1 2 96 17 17 VAL N N 125.32 0.05 1 97 18 18 ALA H H 8.348 0.01 1 98 18 18 ALA HA H 4.261 0.01 1 99 18 18 ALA C C 177.238 0.05 1 100 18 18 ALA CA C 52.334 0.1 1 101 18 18 ALA CB C 19.301 0.1 1 102 18 18 ALA N N 128.551 0.05 1 103 19 19 ALA H H 8.249 0.01 1 104 19 19 ALA HA H 4.253 0.01 1 105 19 19 ALA C C 177.586 0.05 1 106 19 19 ALA CA C 52.373 0.1 1 107 19 19 ALA CB C 19.349 0.1 1 108 19 19 ALA N N 123.909 0.05 1 109 20 20 ARG H H 8.255 0.01 1 110 20 20 ARG HA H 4.286 0.01 1 111 20 20 ARG C C 175.659 0.05 1 112 20 20 ARG CA C 55.664 0.1 1 113 20 20 ARG CB C 30.999 0.1 1 114 20 20 ARG CG C 26.975 0.1 1 115 20 20 ARG CD C 43.348 0.1 1 116 20 20 ARG N N 120.576 0.05 1 117 21 21 ALA H H 8.298 0.01 1 118 21 21 ALA HA H 4.556 0.01 1 119 21 21 ALA C C 175.421 0.05 1 120 21 21 ALA CA C 50.489 0.1 1 121 21 21 ALA CB C 18.212 0.1 1 122 21 21 ALA N N 126.988 0.05 1 123 22 22 PRO HA H 4.396 0.01 1 124 22 22 PRO C C 176.732 0.05 1 125 22 22 PRO CA C 62.869 0.1 1 126 22 22 PRO CB C 32.117 0.1 1 127 22 22 PRO CG C 27.309 0.1 1 128 22 22 PRO CD C 50.459 0.1 1 129 23 23 ARG H H 8.363 0.01 1 130 23 23 ARG HA H 4.253 0.01 1 131 23 23 ARG C C 176.159 0.05 1 132 23 23 ARG CA C 56.069 0.1 1 133 23 23 ARG CB C 31.017 0.1 1 134 23 23 ARG CG C 27.074 0.1 1 135 23 23 ARG CD C 43.375 0.1 1 136 23 23 ARG N N 121.596 0.05 1 137 24 24 LYS H H 8.369 0.01 1 138 24 24 LYS HA H 4.307 0.01 1 139 24 24 LYS C C 176.158 0.05 1 140 24 24 LYS CA C 56.273 0.1 1 141 24 24 LYS CB C 33.218 0.1 1 142 24 24 LYS CE C 42.116 0.1 1 143 24 24 LYS N N 123.771 0.05 1 144 25 25 VAL H H 8.261 0.01 1 145 25 25 VAL HA H 4.070 0.01 1 146 25 25 VAL C C 176.027 0.05 1 147 25 25 VAL CA C 62.158 0.1 1 148 25 25 VAL CB C 32.885 0.1 1 149 25 25 VAL CG1 C 20.621 0.1 2 150 25 25 VAL CG2 C 21.013 0.1 2 151 25 25 VAL N N 122.959 0.05 1 152 26 26 LEU H H 8.417 0.01 1 153 26 26 LEU HA H 4.357 0.01 1 154 26 26 LEU C C 177.751 0.05 1 155 26 26 LEU CA C 55.194 0.1 1 156 26 26 LEU CB C 42.456 0.1 1 157 26 26 LEU CG C 27.004 0.1 1 158 26 26 LEU CD1 C 24.802 0.1 2 159 26 26 LEU CD2 C 23.432 0.1 2 160 26 26 LEU N N 127.02 0.05 1 161 27 27 GLY H H 8.413 0.01 1 162 27 27 GLY HA2 H 3.987 0.01 2 163 27 27 GLY C C 174.055 0.05 1 164 27 27 GLY CA C 45.257 0.1 1 165 27 27 GLY N N 110.105 0.05 1 166 28 28 SER H H 8.217 0.01 1 167 28 28 SER HA H 4.497 0.01 1 168 28 28 SER C C 174.857 0.05 1 169 28 28 SER CA C 58.168 0.1 1 170 28 28 SER CB C 64.032 0.1 1 171 28 28 SER N N 115.385 0.05 1 172 29 29 SER H H 8.477 0.01 1 173 29 29 SER HA H 4.542 0.01 1 174 29 29 SER C C 174.929 0.05 1 175 29 29 SER CA C 58.492 0.1 1 176 29 29 SER CB C 63.815 0.1 1 177 29 29 SER N N 117.946 0.05 1 178 30 30 THR H H 8.218 0.01 1 179 30 30 THR HA H 4.393 0.01 1 180 30 30 THR C C 174.681 0.05 1 181 30 30 THR CA C 61.956 0.1 1 182 30 30 THR CB C 69.67 0.1 1 183 30 30 THR CG2 C 21.519 0.1 1 184 30 30 THR N N 115.55 0.05 1 185 31 31 SER H H 8.272 0.01 1 186 31 31 SER HA H 4.445 0.01 1 187 31 31 SER C C 174.366 0.05 1 188 31 31 SER CA C 58.41 0.1 1 189 31 31 SER CB C 63.857 0.1 1 190 31 31 SER N N 118.044 0.05 1 191 32 32 ALA H H 8.368 0.01 1 192 32 32 ALA HA H 4.379 0.01 1 193 32 32 ALA C C 178.044 0.05 1 194 32 32 ALA CA C 52.781 0.1 1 195 32 32 ALA CB C 19.3 0.1 1 196 32 32 ALA N N 126.208 0.05 1 197 33 33 THR H H 8.111 0.01 1 198 33 33 THR HA H 4.297 0.01 1 199 33 33 THR C C 174.448 0.05 1 200 33 33 THR CA C 61.944 0.1 1 201 33 33 THR CB C 69.739 0.1 1 202 33 33 THR CG2 C 21.508 0.1 1 203 33 33 THR N N 112.861 0.05 1 204 34 34 ASN H H 8.380 0.01 1 205 34 34 ASN HA H 4.751 0.01 1 206 34 34 ASN HD21 H 6.893 0.01 2 207 34 34 ASN HD22 H 7.584 0.01 2 208 34 34 ASN C C 175.347 0.05 1 209 34 34 ASN CA C 53.319 0.1 1 210 34 34 ASN CB C 38.963 0.1 1 211 34 34 ASN CG C 177.087 0.1 1 212 34 34 ASN N N 120.986 0.05 1 213 34 34 ASN ND2 N 112.846 0.05 1 214 35 35 SER H H 8.319 0.01 1 215 35 35 SER HA H 4.513 0.01 1 216 35 35 SER C C 174.934 0.05 1 217 35 35 SER CA C 58.576 0.1 1 218 35 35 SER CB C 63.778 0.1 1 219 35 35 SER N N 116.327 0.05 1 220 36 36 THR H H 8.218 0.01 1 221 36 36 THR HA H 4.385 0.01 1 222 36 36 THR C C 174.725 0.05 1 223 36 36 THR CA C 61.972 0.1 1 224 36 36 THR CB C 69.708 0.1 1 225 36 36 THR CG2 C 21.519 0.1 1 226 36 36 THR N N 115.55 0.05 1 227 37 37 SER H H 8.287 0.01 1 228 37 37 SER HA H 4.482 0.01 1 229 37 37 SER C C 174.748 0.05 1 230 37 37 SER CA C 58.437 0.1 1 231 37 37 SER CB C 63.812 0.1 1 232 37 37 SER N N 118.24 0.05 1 233 38 38 VAL H H 8.165 0.01 1 234 38 38 VAL HA H 4.126 0.01 1 235 38 38 VAL C C 176.51 0.05 1 236 38 38 VAL CA C 62.663 0.1 1 237 38 38 VAL CB C 32.67 0.1 1 238 38 38 VAL CG1 C 20.457 0.1 2 239 38 38 VAL CG2 C 21.007 0.1 2 240 38 38 VAL N N 121.713 0.05 1 241 39 39 SER H H 8.342 0.01 1 242 39 39 SER HA H 4.437 0.01 1 243 39 39 SER C C 174.83 0.05 1 244 39 39 SER CA C 58.594 0.1 1 245 39 39 SER CB C 63.736 0.1 1 246 39 39 SER N N 118.775 0.05 1 247 40 40 SER H H 8.268 0.01 1 248 40 40 SER HA H 4.430 0.01 1 249 40 40 SER C C 174.531 0.05 1 250 40 40 SER CA C 58.577 0.1 1 251 40 40 SER CB C 63.732 0.1 1 252 40 40 SER N N 118.01 0.05 1 253 41 41 ARG H H 8.220 0.01 1 254 41 41 ARG HA H 4.288 0.01 1 255 41 41 ARG C C 176.293 0.05 1 256 41 41 ARG CA C 56.29 0.1 1 257 41 41 ARG CB C 30.736 0.1 1 258 41 41 ARG CD C 43.342 0.1 1 259 41 41 ARG N N 122.857 0.05 1 260 42 42 LYS H H 8.274 0.01 1 261 42 42 LYS HA H 4.246 0.01 1 262 42 42 LYS C C 176.343 0.05 1 263 42 42 LYS CA C 56.408 0.1 1 264 42 42 LYS CB C 33.125 0.1 1 265 42 42 LYS N N 122.897 0.05 1 266 43 43 ALA H H 8.325 0.01 1 267 43 43 ALA HA H 4.264 0.01 1 268 43 43 ALA C C 177.649 0.05 1 269 43 43 ALA CA C 52.517 0.1 1 270 43 43 ALA CB C 19.232 0.1 1 271 43 43 ALA N N 125.462 0.05 1 272 44 44 GLU H H 8.374 0.01 1 273 44 44 GLU HA H 4.226 0.01 1 274 44 44 GLU C C 176.239 0.05 1 275 44 44 GLU CA C 56.513 0.1 1 276 44 44 GLU CB C 30.464 0.1 1 277 44 44 GLU CG C 36.150 0.1 1 278 44 44 GLU N N 120.291 0.05 1 279 45 45 ASN H H 8.419 0.01 1 280 45 45 ASN HA H 4.645 0.01 1 281 45 45 ASN HD21 H 6.905 0.01 2 282 45 45 ASN HD22 H 7.572 0.01 2 283 45 45 ASN C C 175.223 0.05 1 284 45 45 ASN CA C 53.197 0.1 1 285 45 45 ASN CB C 38.869 0.1 1 286 45 45 ASN CG C 176.97 0.1 1 287 45 45 ASN N N 120.096 0.05 1 288 45 45 ASN ND2 N 112.495 0.05 1 289 46 46 LYS H H 8.259 0.01 1 290 46 46 LYS HA H 4.184 0.01 1 291 46 46 LYS C C 176.216 0.05 1 292 46 46 LYS CA C 56.64 0.1 1 293 46 46 LYS CB C 32.893 0.1 1 294 46 46 LYS CG C 24.47 0.1 1 295 46 46 LYS CD C 29.0241 0.1 1 296 46 46 LYS CE C 42.07 0.1 1 297 46 46 LYS N N 121.966 0.05 1 298 47 47 TYR H H 8.182 0.01 1 299 47 47 TYR HA H 4.558 0.01 1 300 47 47 TYR C C 175.751 0.05 1 301 47 47 TYR CA C 57.682 0.1 1 302 47 47 TYR CB C 38.595 0.1 1 303 47 47 TYR N N 120.704 0.05 1 304 48 48 ALA H H 8.183 0.01 1 305 48 48 ALA HA H 4.285 0.01 1 306 48 48 ALA C C 177.894 0.05 1 307 48 48 ALA CA C 52.592 0.1 1 308 48 48 ALA CB C 19.266 0.1 1 309 48 48 ALA N N 126.428 0.05 1 310 49 49 GLY H H 7.850 0.01 1 311 49 49 GLY HA2 H 3.921 0.01 2 312 49 49 GLY C C 174.475 0.05 1 313 49 49 GLY CA C 45.349 0.1 1 314 49 49 GLY N N 107.662 0.05 1 315 50 50 GLY H H 8.155 0.01 1 316 50 50 GLY HA2 H 3.954 0.01 2 317 50 50 GLY C C 173.526 0.05 1 318 50 50 GLY CA C 44.956 0.1 1 319 50 50 GLY N N 108.094 0.05 1 320 51 51 ASN H H 8.297 0.01 1 321 51 51 ASN HA H 4.948 0.01 1 322 51 51 ASN HD21 H 6.906 0.01 2 323 51 51 ASN HD22 H 7.578 0.01 2 324 51 51 ASN C C 173.322 0.05 1 325 51 51 ASN CA C 51.376 0.1 1 326 51 51 ASN CB C 38.893 0.1 1 327 51 51 ASN CG C 176.98 0.1 1 328 51 51 ASN N N 119.583 0.05 1 329 51 51 ASN ND2 N 112.975 0.05 1 330 52 52 PRO HA H 4.383 0.01 1 331 52 52 PRO C C 176.833 0.05 1 332 52 52 PRO CA C 63.278 0.1 1 333 52 52 PRO CB C 32.082 0.1 1 334 52 52 PRO CG C 27.196 0.1 1 335 52 52 PRO CD C 50.62 0.1 1 336 53 53 VAL H H 8.138 0.01 1 337 53 53 VAL HA H 4.037 0.01 1 338 53 53 VAL C C 176.008 0.05 1 339 53 53 VAL CA C 62.458 0.1 1 340 53 53 VAL CB C 32.574 0.1 1 341 53 53 VAL CG1 C 20.876 0.1 2 342 53 53 VAL N N 120.017 0.05 1 343 54 54 CYS H H 8.327 0.01 1 344 54 54 CYS HA H 4.499 0.01 1 345 54 54 CYS C C 174.285 0.05 1 346 54 54 CYS CA C 58.256 0.1 1 347 54 54 CYS CB C 28.07 0.1 1 348 54 54 CYS N N 123.342 0.05 1 349 55 55 VAL H H 8.259 0.01 1 350 55 55 VAL HA H 4.087 0.01 1 351 55 55 VAL C C 175.691 0.05 1 352 55 55 VAL CA C 62.259 0.1 1 353 55 55 VAL CB C 32.717 0.1 1 354 55 55 VAL CG1 C 20.614 0.1 2 355 55 55 VAL CG2 C 20.973 0.1 2 356 55 55 VAL N N 123.627 0.05 1 357 56 56 ARG H H 8.360 0.01 1 358 56 56 ARG HA H 4.607 0.01 1 359 56 56 ARG C C 173.942 0.05 1 360 56 56 ARG CA C 53.766 0.1 1 361 56 56 ARG CB C 30.395 0.1 1 362 56 56 ARG N N 126.244 0.05 1 363 57 57 PRO HA H 4.421 0.01 1 364 57 57 PRO C C 176.681 0.05 1 365 57 57 PRO CA C 62.883 0.1 1 366 57 57 PRO CB C 32.122 0.1 1 367 57 57 PRO CG C 27.264 0.1 1 368 57 57 PRO CD C 50.656 0.1 1 369 58 58 THR H H 8.282 0.01 1 370 58 58 THR HA H 4.492 0.01 1 371 58 58 THR C C 172.914 0.05 1 372 58 58 THR CA C 59.939 0.1 1 373 58 58 THR CB C 69.78 0.1 1 374 58 58 THR N N 117.748 0.05 1 375 59 59 PRO HA H 4.290 0.01 1 376 59 59 PRO C C 176.885 0.05 1 377 59 59 PRO CA C 63.093 0.1 1 378 59 59 PRO CB C 32.052 0.1 1 379 59 59 PRO CG C 27.39 0.1 1 380 59 59 PRO CD C 51.033 0.1 1 381 60 60 LYS H H 8.326 0.01 1 382 60 60 LYS HA H 4.137 0.01 1 383 60 60 LYS C C 176.402 0.05 1 384 60 60 LYS CA C 56.776 0.1 1 385 60 60 LYS CB C 32.839 0.1 1 386 60 60 LYS CG C 24.707 0.1 1 387 60 60 LYS CD C 29.053 0.1 1 388 60 60 LYS CE C 42.094 0.1 1 389 60 60 LYS N N 121.431 0.05 1 390 61 61 TRP H H 7.892 0.01 1 391 61 61 TRP HA H 4.601 0.01 1 392 61 61 TRP C C 176.022 0.05 1 393 61 61 TRP CA C 57.139 0.1 1 394 61 61 TRP CB C 29.434 0.1 1 395 61 61 TRP N N 120.459 0.05 1 396 62 62 GLN H H 7.919 0.01 1 397 62 62 GLN HA H 4.177 0.01 1 398 62 62 GLN HE21 H 6.787 0.01 2 399 62 62 GLN HE22 H 7.358 0.01 2 400 62 62 GLN C C 175.173 0.05 1 401 62 62 GLN CA C 55.631 0.1 1 402 62 62 GLN CB C 29.893 0.1 1 403 62 62 GLN CG C 33.592 0.1 1 404 62 62 GLN CD C 180.271 0.1 1 405 62 62 GLN N N 122.315 0.05 1 406 62 62 GLN NE2 N 111.817 0.05 1 407 63 63 LYS H H 8.084 0.01 1 408 63 63 LYS HA H 4.080 0.01 1 409 63 63 LYS C C 176.913 0.05 1 410 63 63 LYS CA C 56.739 0.1 1 411 63 63 LYS CB C 32.95 0.1 1 412 63 63 LYS CG C 24.683 0.1 1 413 63 63 LYS CD C 29.139 0.1 1 414 63 63 LYS CE C 42.111 0.1 1 415 63 63 LYS N N 122.339 0.05 1 416 64 64 GLY H H 8.356 0.01 1 417 64 64 GLY HA2 H 3.914 0.01 2 418 64 64 GLY C C 174.058 0.05 1 419 64 64 GLY CA C 45.272 0.1 1 420 64 64 GLY N N 110.35 0.05 1 421 65 65 ILE H H 7.958 0.01 1 422 65 65 ILE HA H 4.158 0.01 1 423 65 65 ILE C C 176.727 0.05 1 424 65 65 ILE CA C 61.35 0.1 1 425 65 65 ILE CB C 38.781 0.1 1 426 65 65 ILE CG1 C 27.162 0.1 1 427 65 65 ILE CG2 C 17.493 0.1 1 428 65 65 ILE CD1 C 13.044 0.1 1 429 65 65 ILE N N 119.687 0.05 1 430 66 66 GLY H H 8.400 0.01 1 431 66 66 GLY HA2 H 3.857 0.01 2 432 66 66 GLY HA3 H 3.934 0.01 2 433 66 66 GLY C C 174.127 0.05 1 434 66 66 GLY CA C 45.338 0.1 1 435 66 66 GLY N N 112.217 0.05 1 436 67 67 GLU H H 8.124 0.01 1 437 67 67 GLU HA H 4.145 0.01 1 438 67 67 GLU C C 176.232 0.05 1 439 67 67 GLU CA C 56.684 0.1 1 440 67 67 GLU CB C 30.276 0.1 1 441 67 67 GLU CG C 36.006 0.1 1 442 67 67 GLU N N 120.48 0.05 1 443 68 68 PHE H H 8.132 0.01 1 444 68 68 PHE HA H 4.486 0.01 1 445 68 68 PHE C C 175.356 0.05 1 446 68 68 PHE CA C 57.901 0.1 1 447 68 68 PHE CB C 39.516 0.1 1 448 68 68 PHE N N 120.218 0.05 1 449 69 69 PHE H H 7.977 0.01 1 450 69 69 PHE HA H 4.499 0.01 1 451 69 69 PHE C C 175.044 0.05 1 452 69 69 PHE CA C 57.784 0.1 1 453 69 69 PHE CB C 39.634 0.1 1 454 69 69 PHE N N 120.968 0.05 1 455 70 70 ARG H H 8.000 0.01 1 456 70 70 ARG HA H 4.218 0.01 1 457 70 70 ARG C C 175.58 0.05 1 458 70 70 ARG CA C 55.896 0.1 1 459 70 70 ARG CB C 31.114 0.1 1 460 70 70 ARG CG C 27.047 0.1 1 461 70 70 ARG CD C 43.34 0.1 1 462 70 70 ARG N N 122.542 0.05 1 463 71 71 LEU H H 8.171 0.01 1 464 71 71 LEU HA H 4.316 0.01 1 465 71 71 LEU C C 177.017 0.05 1 466 71 71 LEU CA C 54.973 0.1 1 467 71 71 LEU CB C 42.622 0.1 1 468 71 71 LEU CG C 26.998 0.1 1 469 71 71 LEU CD1 C 24.966 0.1 2 470 71 71 LEU CD2 C 23.494 0.1 2 471 71 71 LEU N N 123.366 0.05 1 472 72 72 SER H H 8.358 0.01 1 473 72 72 SER HA H 4.708 0.01 1 474 72 72 SER C C 172.884 0.05 1 475 72 72 SER CA C 56.254 0.1 1 476 72 72 SER CB C 63.395 0.1 1 477 72 72 SER N N 118.177 0.05 1 478 73 73 PRO HA H 4.376 0.01 1 479 73 73 PRO C C 177.25 0.05 1 480 73 73 PRO CA C 63.603 0.1 1 481 73 73 PRO CB C 32.111 0.1 1 482 73 73 PRO CG C 27.354 0.1 1 483 73 73 PRO CD C 50.726 0.1 1 484 74 74 LYS H H 8.309 0.01 1 485 74 74 LYS HA H 4.233 0.01 1 486 74 74 LYS C C 176.824 0.05 1 487 74 74 LYS CA C 56.703 0.1 1 488 74 74 LYS CB C 32.887 0.1 1 489 74 74 LYS CG C 24.614 0.1 1 490 74 74 LYS CD C 29.033 0.1 1 491 74 74 LYS CE C 41.974 0.1 1 492 74 74 LYS N N 120.564 0.05 1 493 75 75 ASP H H 8.272 0.01 1 494 75 75 ASP HA H 4.566 0.01 1 495 75 75 ASP C C 176.597 0.05 1 496 75 75 ASP CA C 54.999 0.1 1 497 75 75 ASP CB C 41.138 0.1 1 498 75 75 ASP N N 121.112 0.05 1 499 76 76 SER H H 8.162 0.01 1 500 76 76 SER HA H 4.348 0.01 1 501 76 76 SER C C 174.878 0.05 1 502 76 76 SER CA C 59.023 0.1 1 503 76 76 SER CB C 63.695 0.1 1 504 76 76 SER N N 115.435 0.05 1 505 77 77 GLU H H 8.318 0.01 1 506 77 77 GLU HA H 4.252 0.01 1 507 77 77 GLU C C 176.817 0.05 1 508 77 77 GLU CA C 56.998 0.1 1 509 77 77 GLU CB C 29.955 0.1 1 510 77 77 GLU CG C 36.198 0.1 1 511 77 77 GLU N N 122.226 0.05 1 512 78 78 LYS H H 8.096 0.01 1 513 78 78 LYS HA H 4.244 0.01 1 514 78 78 LYS C C 176.835 0.05 1 515 78 78 LYS CA C 56.65 0.1 1 516 78 78 LYS CB C 33.031 0.1 1 517 78 78 LYS CG C 24.614 0.1 1 518 78 78 LYS CD C 29.033 0.1 1 519 78 78 LYS CE C 41.974 0.1 1 520 78 78 LYS N N 120.962 0.05 1 521 79 79 GLU H H 8.301 0.01 1 522 79 79 GLU HA H 4.221 0.01 1 523 79 79 GLU C C 176.299 0.05 1 524 79 79 GLU CA C 56.81 0.1 1 525 79 79 GLU CB C 30.145 0.1 1 526 79 79 GLU CG C 36.093 0.1 1 527 79 79 GLU N N 120.864 0.05 1 528 80 80 ASN H H 8.363 0.01 1 529 80 80 ASN HA H 4.657 0.01 1 530 80 80 ASN HD21 H 6.893 0.01 2 531 80 80 ASN HD22 H 7.584 0.01 2 532 80 80 ASN C C 174.916 0.05 1 533 80 80 ASN CA C 53.327 0.1 1 534 80 80 ASN CB C 38.976 0.1 1 535 80 80 ASN CG C 176.98 0.1 1 536 80 80 ASN N N 119.087 0.05 1 537 80 80 ASN ND2 N 112.846 0.01 1 538 81 81 GLN H H 8.229 0.01 1 539 81 81 GLN HA H 4.314 0.01 1 540 81 81 GLN HE21 H 6.842 0.01 2 541 81 81 GLN HE22 H 7.506 0.01 2 542 81 81 GLN C C 175.64 0.05 1 543 81 81 GLN CA C 55.704 0.1 1 544 81 81 GLN CB C 29.569 0.1 1 545 81 81 GLN CG C 33.792 0.1 1 546 81 81 GLN CD C 180.439 0.1 1 547 81 81 GLN N N 120.464 0.05 1 548 81 81 GLN NE2 N 112.47 0.05 1 549 82 82 ILE H H 8.248 0.01 1 550 82 82 ILE HA H 4.365 0.01 1 551 82 82 ILE C C 174.672 0.05 1 552 82 82 ILE CA C 58.784 0.1 1 553 82 82 ILE CB C 38.466 0.1 1 554 82 82 ILE N N 123.959 0.05 1 555 83 83 PRO HA H 4.370 0.01 1 556 83 83 PRO C C 177.014 0.05 1 557 83 83 PRO CA C 63.379 0.1 1 558 83 83 PRO CB C 32.146 0.1 1 559 83 83 PRO CG C 27.379 0.1 1 560 83 83 PRO CD C 51.041 0.1 1 561 84 84 GLU H H 8.529 0.01 1 562 84 84 GLU HA H 4.194 0.01 1 563 84 84 GLU C C 176.749 0.05 1 564 84 84 GLU CA C 56.937 0.1 1 565 84 84 GLU CB C 30.316 0.1 1 566 84 84 GLU CG C 36.237 0.1 1 567 84 84 GLU N N 121.284 0.05 1 568 85 85 GLU H H 8.446 0.01 1 569 85 85 GLU HA H 4.252 0.01 1 570 85 85 GLU C C 176.403 0.05 1 571 85 85 GLU CA C 56.543 0.1 1 572 85 85 GLU CB C 30.268 0.1 1 573 85 85 GLU CG C 36.063 0.1 1 574 85 85 GLU N N 121.906 0.05 1 575 86 86 ALA H H 8.365 0.01 1 576 86 86 ALA HA H 4.276 0.01 1 577 86 86 ALA C C 178.512 0.05 1 578 86 86 ALA CA C 53.017 0.1 1 579 86 86 ALA CB C 19.177 0.1 1 580 86 86 ALA N N 125.471 0.05 1 581 87 87 GLY H H 8.403 0.01 1 582 87 87 GLY HA2 H 3.995 0.01 2 583 87 87 GLY C C 174.662 0.05 1 584 87 87 GLY CA C 45.507 0.1 1 585 87 87 GLY N N 108.01 0.05 1 586 88 88 SER H H 8.198 0.01 1 587 88 88 SER HA H 4.466 0.01 1 588 88 88 SER C C 175.082 0.05 1 589 88 88 SER CA C 58.6 0.1 1 590 88 88 SER CB C 63.871 0.1 1 591 88 88 SER N N 115.47 0.05 1 592 89 89 SER H H 8.397 0.01 1 593 89 89 SER HA H 4.440 0.01 1 594 89 89 SER C C 175.201 0.05 1 595 89 89 SER CA C 58.811 0.1 1 596 89 89 SER CB C 63.781 0.1 1 597 89 89 SER N N 117.54 0.05 1 598 90 90 GLY H H 8.389 0.01 1 599 90 90 GLY HA2 H 3.969 0.01 2 600 90 90 GLY C C 174.422 0.05 1 601 90 90 GLY CA C 45.534 0.1 1 602 90 90 GLY N N 110.496 0.05 1 603 91 91 LEU H H 8.092 0.01 1 604 91 91 LEU HA H 4.300 0.01 1 605 91 91 LEU C C 178.197 0.05 1 606 91 91 LEU CA C 55.541 0.1 1 607 91 91 LEU CB C 42.331 0.1 1 608 91 91 LEU CG C 27.372 0.1 1 609 91 91 LEU CD1 C 24.895 0.1 2 610 91 91 LEU CD2 C 23.269 0.1 2 611 91 91 LEU N N 121.533 0.05 1 612 92 92 GLY H H 8.454 0.01 1 613 92 92 GLY HA2 H 3.932 0.01 2 614 92 92 GLY C C 174.441 0.05 1 615 92 92 GLY CA C 45.583 0.1 1 616 92 92 GLY N N 109.393 0.05 1 617 93 93 LYS H H 8.068 0.01 1 618 93 93 LYS HA H 4.254 0.01 1 619 93 93 LYS C C 176.577 0.05 1 620 93 93 LYS CA C 56.374 0.1 1 621 93 93 LYS CB C 33.041 0.1 1 622 93 93 LYS CG C 24.736 0.1 1 623 93 93 LYS CD C 29.073 0.1 1 624 93 93 LYS CE C 42.153 0.1 1 625 93 93 LYS N N 120.71 0.05 1 626 94 94 ALA H H 8.209 0.01 1 627 94 94 ALA HA H 4.255 0.01 1 628 94 94 ALA C C 177.762 0.05 1 629 94 94 ALA CA C 52.581 0.1 1 630 94 94 ALA CB C 19.232 0.1 1 631 94 94 ALA N N 124.359 0.05 1 632 95 95 LYS H H 8.223 0.01 1 633 95 95 LYS HA H 4.247 0.01 1 634 95 95 LYS C C 176.587 0.05 1 635 95 95 LYS CA C 56.283 0.1 1 636 95 95 LYS CB C 33.037 0.1 1 637 95 95 LYS N N 120.71 0.05 1 638 96 96 ARG H H 8.271 0.01 1 639 96 96 ARG HA H 4.283 0.01 1 640 96 96 ARG C C 176.159 0.05 1 641 96 96 ARG CA C 56.058 0.1 1 642 96 96 ARG CB C 31.009 0.1 1 643 96 96 ARG CG C 27.074 0.1 1 644 96 96 ARG CD C 43.375 0.1 1 645 96 96 ARG N N 122.451 0.05 1 646 97 97 LYS H H 8.369 0.01 1 647 97 97 LYS HA H 4.245 0.01 1 648 97 97 LYS C C 176.086 0.05 1 649 97 97 LYS CA C 56.252 0.1 1 650 97 97 LYS CB C 33.208 0.1 1 651 97 97 LYS CG C 24.644 0.1 1 652 97 97 LYS CD C 29.128 0.1 1 653 97 97 LYS CE C 42.106 0.1 1 654 97 97 LYS N N 123.446 0.05 1 655 98 98 ALA H H 8.359 0.01 1 656 98 98 ALA HA H 4.290 0.01 1 657 98 98 ALA C C 177.202 0.05 1 658 98 98 ALA CA C 52.436 0.1 1 659 98 98 ALA CB C 19.311 0.1 1 660 98 98 ALA N N 125.765 0.05 1 661 99 99 CYS H H 8.350 0.01 1 662 99 99 CYS HA H 4.753 0.01 1 663 99 99 CYS C C 172.77 0.05 1 664 99 99 CYS CA C 56.457 0.1 1 665 99 99 CYS CB C 27.697 0.1 1 666 99 99 CYS N N 120.357 0.05 1 667 100 100 PRO HA H 4.385 0.01 1 668 100 100 PRO C C 176.632 0.05 1 669 100 100 PRO CA C 63.334 0.1 1 670 100 100 PRO CB C 32.155 0.1 1 671 100 100 PRO CG C 27.226 0.1 1 672 100 100 PRO CD C 50.78 0.1 1 673 101 101 LEU H H 8.244 0.01 1 674 101 101 LEU HA H 4.272 0.01 1 675 101 101 LEU C C 177.105 0.05 1 676 101 101 LEU CA C 55.275 0.1 1 677 101 101 LEU CB C 42.295 0.1 1 678 101 101 LEU CG C 27.226 0.1 1 679 101 101 LEU CD1 C 24.718 0.1 2 680 101 101 LEU CD2 C 23.424 0.1 2 681 101 101 LEU N N 121.659 0.05 1 682 102 102 GLN H H 8.245 0.01 1 683 102 102 GLN HA H 4.625 0.01 1 684 102 102 GLN HE21 H 6.86 0.01 2 685 102 102 GLN HE22 H 7.55 0.01 2 686 102 102 GLN C C 173.941 0.05 1 687 102 102 GLN CA C 53.395 0.1 1 688 102 102 GLN CB C 29.211 0.1 1 689 102 102 GLN CD C 180.587 0.1 1 690 102 102 GLN N N 121.679 0.05 1 691 102 102 GLN NE2 N 112.391 0.05 1 692 103 103 PRO HA H 4.353 0.01 1 693 103 103 PRO C C 176.431 0.05 1 694 103 103 PRO CA C 63.298 0.1 1 695 103 103 PRO CB C 32.15 0.1 1 696 103 103 PRO CG C 27.247 0.1 1 697 103 103 PRO CD C 50.596 0.1 1 698 104 104 ASP H H 8.392 0.01 1 699 104 104 ASP HA H 4.514 0.01 1 700 104 104 ASP C C 176.108 0.05 1 701 104 104 ASP CA C 54.181 0.1 1 702 104 104 ASP CB C 41.129 0.1 1 703 104 104 ASP N N 119.792 0.05 1 704 105 105 HIS H H 8.405 0.01 1 705 105 105 HIS HA H 4.760 0.01 1 706 105 105 HIS C C 174.834 0.05 1 707 105 105 HIS CA C 55.524 0.1 1 708 105 105 HIS CB C 29.13 0.1 1 709 105 105 HIS N N 118.764 0.05 1 710 106 106 THR H H 8.313 0.01 1 711 106 106 THR HA H 4.248 0.01 1 712 106 106 THR C C 174.585 0.05 1 713 106 106 THR CA C 62.697 0.1 1 714 106 106 THR CB C 69.738 0.1 1 715 106 106 THR CG2 C 21.59 0.1 1 716 106 106 THR N N 115.341 0.05 1 717 107 107 ASN H H 8.521 0.01 1 718 107 107 ASN HA H 4.743 0.01 1 719 107 107 ASN HD21 H 6.91 0.01 2 720 107 107 ASN HD22 H 7.616 0.01 2 721 107 107 ASN C C 174.891 0.05 1 722 107 107 ASN CA C 53.392 0.1 1 723 107 107 ASN CB C 39.006 0.1 1 724 107 107 ASN CG C 177.199 0.1 1 725 107 107 ASN N N 120.19 0.05 1 726 107 107 ASN ND2 N 113.101 0.05 1 727 108 108 ASP H H 8.207 0.01 1 728 108 108 ASP HA H 4.559 0.01 1 729 108 108 ASP C C 176.154 0.05 1 730 108 108 ASP CA C 54.614 0.1 1 731 108 108 ASP CB C 41.06 0.1 1 732 108 108 ASP N N 120.695 0.05 1 733 109 109 GLU H H 8.294 0.01 1 734 109 109 GLU HA H 4.248 0.01 1 735 109 109 GLU C C 176.27 0.05 1 736 109 109 GLU CA C 56.491 0.1 1 737 109 109 GLU CB C 30.104 0.1 1 738 109 109 GLU CG C 36.029 0.1 1 739 109 109 GLU N N 120.752 0.05 1 740 110 110 LYS H H 8.272 0.01 1 741 110 110 LYS HA H 4.308 0.01 1 742 110 110 LYS C C 175.649 0.05 1 743 110 110 LYS CA C 56.191 0.1 1 744 110 110 LYS CB C 33.198 0.1 1 745 110 110 LYS CG C 24.498 0.1 1 746 110 110 LYS CD C 28.932 0.1 1 747 110 110 LYS CE C 42.168 0.1 1 748 110 110 LYS N N 122.45 0.05 1 749 111 111 GLU H H 8.005 0.01 1 750 111 111 GLU HA H 4.088 0.01 1 751 111 111 GLU C C 181.039 0.05 1 752 111 111 GLU CA C 58.008 0.1 1 753 111 111 GLU CB C 31.029 0.1 1 754 111 111 GLU N N 127.06 0.05 1 stop_ save_