data_11095 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the chimera of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK ; _BMRB_accession_number 11095 _BMRB_flat_file_name bmr11095.str _Entry_type original _Submission_date 2010-02-15 _Accession_date 2010-02-17 _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 Li H. . . 2 Koshiba S. . . 3 Tomizawa T. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 817 "13C chemical shifts" 603 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11094 'Chemical shift assignments of the complex of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK' stop_ _Original_release_date 2011-02-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the chimera of the PTB domain of SNT-2 and 19-residue peptide (aa 1571-1589) of hALK ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Koshiba S. . . 3 Tomizawa T. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Fibroblast growth factor receptor substrate 3 and ALK tyrosine kinase receptor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PTB domain and 19-residue peptide' $entity_1 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PTB domain and 19-residue peptide' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; GSSGSSGLNRDSVPDNHPTK FKVTNVDDEGVELGSGVMEL TQSELVLHLHRREAVRWPYL CLRRYGYDSNLFSFESGRRC QTGQGIFAFKCSRAEEIFNL LQDLMQCNSINVMEEPVIIT SGSSGSSGSSGSSGLFRLRH FPCGNVNYGYQQQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 ASN 10 ARG 11 ASP 12 SER 13 VAL 14 PRO 15 ASP 16 ASN 17 HIS 18 PRO 19 THR 20 LYS 21 PHE 22 LYS 23 VAL 24 THR 25 ASN 26 VAL 27 ASP 28 ASP 29 GLU 30 GLY 31 VAL 32 GLU 33 LEU 34 GLY 35 SER 36 GLY 37 VAL 38 MET 39 GLU 40 LEU 41 THR 42 GLN 43 SER 44 GLU 45 LEU 46 VAL 47 LEU 48 HIS 49 LEU 50 HIS 51 ARG 52 ARG 53 GLU 54 ALA 55 VAL 56 ARG 57 TRP 58 PRO 59 TYR 60 LEU 61 CYS 62 LEU 63 ARG 64 ARG 65 TYR 66 GLY 67 TYR 68 ASP 69 SER 70 ASN 71 LEU 72 PHE 73 SER 74 PHE 75 GLU 76 SER 77 GLY 78 ARG 79 ARG 80 CYS 81 GLN 82 THR 83 GLY 84 GLN 85 GLY 86 ILE 87 PHE 88 ALA 89 PHE 90 LYS 91 CYS 92 SER 93 ARG 94 ALA 95 GLU 96 GLU 97 ILE 98 PHE 99 ASN 100 LEU 101 LEU 102 GLN 103 ASP 104 LEU 105 MET 106 GLN 107 CYS 108 ASN 109 SER 110 ILE 111 ASN 112 VAL 113 MET 114 GLU 115 GLU 116 PRO 117 VAL 118 ILE 119 ILE 120 THR 121 SER 122 GLY 123 SER 124 SER 125 GLY 126 SER 127 SER 128 GLY 129 SER 130 SER 131 GLY 132 SER 133 SER 134 GLY 135 LEU 136 PHE 137 ARG 138 LEU 139 ARG 140 HIS 141 PHE 142 PRO 143 CYS 144 GLY 145 ASN 146 VAL 147 ASN 148 TYR 149 GLY 150 TYR 151 GLN 152 GLN 153 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-27 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 11094 "PTB domain" 80.39 146 98.37 98.37 8.86e-83 PDB 2KUP "Solution Structure Of The Complex Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" 80.39 146 98.37 98.37 8.86e-83 PDB 2KUQ "Solution Structure Of The Chimera Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" 100.00 153 100.00 100.00 2.40e-107 PDB 2YS5 "Solution Structure Of The Complex Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" 80.39 146 98.37 98.37 8.86e-83 PDB 2YT2 "Solution Structure Of The Chimera Of The Ptb Domain Of Snt-2 And 19- Residue Peptide (aa 1571-1589) Of Halk" 100.00 153 100.00 100.00 2.40e-107 DBJ BAJ20358 "fibroblast growth factor receptor substrate 3 [synthetic construct]" 77.12 492 97.46 97.46 8.72e-75 EMBL CAG33307 "FRS3 [Homo sapiens]" 77.12 492 97.46 97.46 8.72e-75 GB AAB92555 "FGFR signalling adaptor SNT-2 [Homo sapiens]" 77.12 492 97.46 97.46 8.72e-75 GB AAH10611 "Fibroblast growth factor receptor substrate 3 [Homo sapiens]" 77.12 492 97.46 97.46 8.72e-75 GB ABM83001 "fibroblast growth factor receptor substrate 3 [synthetic construct]" 77.12 492 97.46 97.46 8.72e-75 GB ABM86194 "fibroblast growth factor receptor substrate 3 [synthetic construct]" 77.12 492 97.46 97.46 8.72e-75 GB ABW05536 "fibroblast growth factor receptor substrate 3 (predicted) [Papio anubis]" 77.12 492 97.46 97.46 7.27e-75 REF NP_001162219 "fibroblast growth factor receptor substrate 3 [Papio anubis]" 77.12 492 97.46 97.46 7.27e-75 REF NP_001253120 "fibroblast growth factor receptor substrate 3 [Macaca mulatta]" 77.12 492 97.46 97.46 7.92e-75 REF NP_006644 "fibroblast growth factor receptor substrate 3 [Homo sapiens]" 77.12 492 97.46 97.46 8.72e-75 REF XP_001501207 "PREDICTED: fibroblast growth factor receptor substrate 3 isoform X1 [Equus caballus]" 77.12 495 97.46 97.46 6.44e-75 REF XP_002914538 "PREDICTED: fibroblast growth factor receptor substrate 3 [Ailuropoda melanoleuca]" 77.12 495 97.46 97.46 9.56e-75 SP O43559 "RecName: Full=Fibroblast growth factor receptor substrate 3; Short=FGFR substrate 3; AltName: Full=FGFR-signaling adaptor SNT2;" 77.12 492 97.46 97.46 8.72e-75 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_1 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 $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P060724-01 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.12mM chimera sample [U-15N, 13C], 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.12 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . 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 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PTB domain and 19-residue peptide' _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 7 7 GLY HA2 H 3.943 0.030 1 2 7 7 GLY HA3 H 3.943 0.030 1 3 8 8 LEU H H 8.121 0.030 1 4 8 8 LEU HA H 4.272 0.030 1 5 8 8 LEU HB2 H 1.504 0.030 1 6 8 8 LEU HB3 H 1.504 0.030 1 7 8 8 LEU HD1 H 0.801 0.030 1 8 8 8 LEU HD2 H 0.749 0.030 1 9 8 8 LEU HG H 1.464 0.030 1 10 8 8 LEU C C 176.890 0.300 1 11 8 8 LEU CA C 55.180 0.300 1 12 8 8 LEU CB C 42.498 0.300 1 13 8 8 LEU CD1 C 24.661 0.300 2 14 8 8 LEU CD2 C 23.618 0.300 2 15 8 8 LEU CG C 26.762 0.300 1 16 8 8 LEU N N 121.604 0.300 1 17 9 9 ASN H H 8.469 0.030 1 18 9 9 ASN C C 175.591 0.300 1 19 9 9 ASN CA C 53.130 0.300 1 20 9 9 ASN CB C 38.744 0.300 1 21 9 9 ASN N N 120.095 0.300 1 22 10 10 ARG H H 8.243 0.030 1 23 10 10 ARG HA H 4.132 0.030 1 24 10 10 ARG HB2 H 1.822 0.030 2 25 10 10 ARG HB3 H 1.741 0.030 2 26 10 10 ARG HD2 H 3.141 0.030 1 27 10 10 ARG HD3 H 3.141 0.030 1 28 10 10 ARG HG2 H 1.571 0.030 1 29 10 10 ARG HG3 H 1.571 0.030 1 30 10 10 ARG C C 176.143 0.300 1 31 10 10 ARG CA C 57.240 0.300 1 32 10 10 ARG CB C 30.538 0.300 1 33 10 10 ARG CD C 43.512 0.300 1 34 10 10 ARG CG C 27.071 0.300 1 35 10 10 ARG N N 123.824 0.300 1 36 11 11 ASP H H 8.273 0.030 1 37 11 11 ASP HA H 4.556 0.030 1 38 11 11 ASP HB2 H 2.582 0.030 2 39 11 11 ASP HB3 H 2.687 0.030 2 40 11 11 ASP C C 176.319 0.300 1 41 11 11 ASP CA C 54.826 0.300 1 42 11 11 ASP CB C 41.008 0.300 1 43 11 11 ASP N N 119.258 0.300 1 44 12 12 SER H H 8.006 0.030 1 45 12 12 SER HA H 4.397 0.030 1 46 12 12 SER HB2 H 3.837 0.030 1 47 12 12 SER HB3 H 3.837 0.030 1 48 12 12 SER C C 174.111 0.300 1 49 12 12 SER CA C 58.400 0.300 1 50 12 12 SER CB C 63.790 0.300 1 51 12 12 SER N N 115.305 0.300 1 52 13 13 VAL H H 7.961 0.030 1 53 13 13 VAL HA H 4.401 0.030 1 54 13 13 VAL HB H 1.937 0.030 1 55 13 13 VAL HG1 H 0.799 0.030 1 56 13 13 VAL HG2 H 0.782 0.030 1 57 13 13 VAL C C 173.653 0.300 1 58 13 13 VAL CA C 59.624 0.300 1 59 13 13 VAL CB C 33.207 0.300 1 60 13 13 VAL CG1 C 21.214 0.300 2 61 13 13 VAL CG2 C 21.214 0.300 2 62 13 13 VAL N N 123.641 0.300 1 63 14 14 PRO HA H 4.544 0.030 1 64 14 14 PRO HB2 H 2.432 0.030 2 65 14 14 PRO HB3 H 2.022 0.030 2 66 14 14 PRO HD2 H 3.701 0.030 2 67 14 14 PRO HD3 H 4.001 0.030 2 68 14 14 PRO HG2 H 2.109 0.030 1 69 14 14 PRO HG3 H 2.109 0.030 1 70 14 14 PRO CA C 62.794 0.300 1 71 14 14 PRO CB C 32.684 0.300 1 72 14 14 PRO CD C 51.197 0.300 1 73 14 14 PRO CG C 27.573 0.300 1 74 15 15 ASP HA H 4.412 0.030 1 75 15 15 ASP HB2 H 2.562 0.030 2 76 15 15 ASP HB3 H 2.791 0.030 2 77 15 15 ASP C C 174.780 0.300 1 78 15 15 ASP CA C 56.254 0.300 1 79 15 15 ASP CB C 40.861 0.300 1 80 16 16 ASN H H 7.855 0.030 1 81 16 16 ASN HA H 4.625 0.030 1 82 16 16 ASN HB2 H 2.972 0.030 2 83 16 16 ASN HB3 H 2.661 0.030 2 84 16 16 ASN HD21 H 7.584 0.030 2 85 16 16 ASN HD22 H 6.772 0.030 2 86 16 16 ASN C C 175.252 0.300 1 87 16 16 ASN CA C 51.484 0.300 1 88 16 16 ASN CB C 37.942 0.300 1 89 16 16 ASN N N 114.736 0.300 1 90 16 16 ASN ND2 N 111.169 0.300 1 91 17 17 HIS H H 7.500 0.030 1 92 17 17 HIS HA H 4.301 0.030 1 93 17 17 HIS HB2 H 3.372 0.030 2 94 17 17 HIS HB3 H 2.912 0.030 2 95 17 17 HIS HD2 H 7.031 0.030 1 96 17 17 HIS HE1 H 7.820 0.030 1 97 17 17 HIS CA C 56.642 0.300 1 98 17 17 HIS CB C 31.225 0.300 1 99 17 17 HIS CD2 C 117.476 0.300 1 100 17 17 HIS CE1 C 139.533 0.300 1 101 17 17 HIS N N 123.704 0.300 1 102 18 18 PRO HA H 4.213 0.030 1 103 18 18 PRO HB2 H 2.299 0.030 2 104 18 18 PRO HB3 H 1.943 0.030 2 105 18 18 PRO HD2 H 3.420 0.030 2 106 18 18 PRO HD3 H 2.422 0.030 2 107 18 18 PRO HG2 H 1.859 0.030 2 108 18 18 PRO HG3 H 1.794 0.030 2 109 18 18 PRO C C 177.324 0.300 1 110 18 18 PRO CA C 64.951 0.300 1 111 18 18 PRO CB C 32.985 0.300 1 112 18 18 PRO CD C 50.349 0.300 1 113 18 18 PRO CG C 27.360 0.300 1 114 19 19 THR H H 9.533 0.030 1 115 19 19 THR HA H 4.673 0.030 1 116 19 19 THR HB H 5.016 0.030 1 117 19 19 THR HG2 H 1.174 0.030 1 118 19 19 THR C C 172.547 0.300 1 119 19 19 THR CA C 61.433 0.300 1 120 19 19 THR CB C 70.297 0.300 1 121 19 19 THR CG2 C 22.693 0.300 1 122 19 19 THR N N 106.116 0.300 1 123 20 20 LYS H H 7.089 0.030 1 124 20 20 LYS HA H 5.050 0.030 1 125 20 20 LYS HB2 H 0.736 0.030 2 126 20 20 LYS HB3 H 0.968 0.030 2 127 20 20 LYS HD2 H 1.020 0.030 2 128 20 20 LYS HD3 H 0.580 0.030 2 129 20 20 LYS HE2 H 2.367 0.030 2 130 20 20 LYS HE3 H 2.462 0.030 2 131 20 20 LYS HG2 H 0.722 0.030 2 132 20 20 LYS HG3 H 1.033 0.030 2 133 20 20 LYS C C 174.557 0.300 1 134 20 20 LYS CA C 55.293 0.300 1 135 20 20 LYS CB C 35.618 0.300 1 136 20 20 LYS CD C 29.605 0.300 1 137 20 20 LYS CE C 41.968 0.300 1 138 20 20 LYS CG C 26.238 0.300 1 139 20 20 LYS N N 121.095 0.300 1 140 21 21 PHE H H 9.123 0.030 1 141 21 21 PHE HA H 4.497 0.030 1 142 21 21 PHE HB2 H 2.783 0.030 2 143 21 21 PHE HB3 H 2.595 0.030 2 144 21 21 PHE HD1 H 6.909 0.030 1 145 21 21 PHE HD2 H 6.909 0.030 1 146 21 21 PHE HE1 H 6.902 0.030 1 147 21 21 PHE HE2 H 6.902 0.030 1 148 21 21 PHE HZ H 6.921 0.030 1 149 21 21 PHE C C 175.315 0.300 1 150 21 21 PHE CA C 56.305 0.300 1 151 21 21 PHE CB C 42.772 0.300 1 152 21 21 PHE CD1 C 132.296 0.300 1 153 21 21 PHE CD2 C 132.296 0.300 1 154 21 21 PHE CE1 C 130.342 0.300 1 155 21 21 PHE CE2 C 130.342 0.300 1 156 21 21 PHE CZ C 129.242 0.300 1 157 21 21 PHE N N 120.017 0.300 1 158 22 22 LYS H H 9.548 0.030 1 159 22 22 LYS HA H 4.589 0.030 1 160 22 22 LYS HB2 H 1.989 0.030 2 161 22 22 LYS HB3 H 1.929 0.030 2 162 22 22 LYS HD2 H 1.775 0.030 1 163 22 22 LYS HD3 H 1.775 0.030 1 164 22 22 LYS HE2 H 2.978 0.030 2 165 22 22 LYS HE3 H 2.912 0.030 2 166 22 22 LYS HG2 H 1.390 0.030 2 167 22 22 LYS HG3 H 1.601 0.030 2 168 22 22 LYS C C 176.345 0.300 1 169 22 22 LYS CA C 57.980 0.300 1 170 22 22 LYS CB C 31.456 0.300 1 171 22 22 LYS CD C 29.276 0.300 1 172 22 22 LYS CE C 42.819 0.300 1 173 22 22 LYS CG C 26.144 0.300 1 174 22 22 LYS N N 126.640 0.300 1 175 23 23 VAL H H 8.417 0.030 1 176 23 23 VAL HA H 5.547 0.030 1 177 23 23 VAL HB H 2.323 0.030 1 178 23 23 VAL HG1 H 0.871 0.030 1 179 23 23 VAL HG2 H 0.636 0.030 1 180 23 23 VAL C C 175.418 0.300 1 181 23 23 VAL CA C 59.049 0.300 1 182 23 23 VAL CB C 37.182 0.300 1 183 23 23 VAL CG1 C 21.235 0.300 2 184 23 23 VAL CG2 C 19.313 0.300 2 185 23 23 VAL N N 116.099 0.300 1 186 24 24 THR H H 8.469 0.030 1 187 24 24 THR HA H 5.122 0.030 1 188 24 24 THR HB H 3.874 0.030 1 189 24 24 THR HG2 H 1.248 0.030 1 190 24 24 THR C C 174.272 0.300 1 191 24 24 THR CA C 61.638 0.300 1 192 24 24 THR CB C 72.375 0.300 1 193 24 24 THR CG2 C 21.974 0.300 1 194 24 24 THR N N 116.361 0.300 1 195 25 25 ASN H H 9.529 0.030 1 196 25 25 ASN HA H 4.593 0.030 1 197 25 25 ASN HB2 H 2.857 0.030 1 198 25 25 ASN HB3 H 2.857 0.030 1 199 25 25 ASN HD21 H 7.775 0.030 2 200 25 25 ASN HD22 H 6.083 0.030 2 201 25 25 ASN C C 172.532 0.300 1 202 25 25 ASN CA C 54.692 0.300 1 203 25 25 ASN CB C 40.857 0.300 1 204 25 25 ASN N N 128.017 0.300 1 205 25 25 ASN ND2 N 110.910 0.300 1 206 26 26 VAL H H 7.345 0.030 1 207 26 26 VAL HA H 5.554 0.030 1 208 26 26 VAL HB H 1.757 0.030 1 209 26 26 VAL HG1 H 0.748 0.030 1 210 26 26 VAL HG2 H 0.590 0.030 1 211 26 26 VAL C C 174.080 0.300 1 212 26 26 VAL CA C 58.309 0.300 1 213 26 26 VAL CB C 36.503 0.300 1 214 26 26 VAL CG1 C 21.810 0.300 2 215 26 26 VAL CG2 C 18.166 0.300 2 216 26 26 VAL N N 115.768 0.300 1 217 27 27 ASP H H 7.248 0.030 1 218 27 27 ASP HA H 4.118 0.030 1 219 27 27 ASP HB2 H 1.552 0.030 1 220 27 27 ASP HB3 H 1.552 0.030 1 221 27 27 ASP C C 178.049 0.300 1 222 27 27 ASP CA C 51.650 0.300 1 223 27 27 ASP CB C 40.306 0.300 1 224 27 27 ASP N N 117.434 0.300 1 225 28 28 ASP H H 6.969 0.030 1 226 28 28 ASP HA H 4.158 0.030 1 227 28 28 ASP HB2 H 2.617 0.030 2 228 28 28 ASP HB3 H 2.695 0.030 2 229 28 28 ASP C C 177.121 0.300 1 230 28 28 ASP CA C 57.009 0.300 1 231 28 28 ASP CB C 41.510 0.300 1 232 28 28 ASP N N 114.173 0.300 1 233 29 29 GLU H H 8.015 0.030 1 234 29 29 GLU HA H 4.367 0.030 1 235 29 29 GLU HB2 H 2.217 0.030 2 236 29 29 GLU HB3 H 1.918 0.030 2 237 29 29 GLU HG2 H 2.139 0.030 2 238 29 29 GLU HG3 H 2.157 0.030 2 239 29 29 GLU C C 176.520 0.300 1 240 29 29 GLU CA C 55.432 0.300 1 241 29 29 GLU CB C 30.084 0.300 1 242 29 29 GLU CG C 36.680 0.300 1 243 29 29 GLU N N 117.785 0.300 1 244 30 30 GLY H H 7.771 0.030 1 245 30 30 GLY HA2 H 3.282 0.030 2 246 30 30 GLY HA3 H 4.079 0.030 2 247 30 30 GLY C C 173.753 0.300 1 248 30 30 GLY CA C 45.446 0.300 1 249 30 30 GLY N N 108.713 0.300 1 250 31 31 VAL H H 8.449 0.030 1 251 31 31 VAL HA H 3.551 0.030 1 252 31 31 VAL HB H 1.998 0.030 1 253 31 31 VAL HG1 H 0.844 0.030 1 254 31 31 VAL HG2 H 0.803 0.030 1 255 31 31 VAL C C 175.805 0.300 1 256 31 31 VAL CA C 63.897 0.300 1 257 31 31 VAL CB C 30.688 0.300 1 258 31 31 VAL CG1 C 22.942 0.300 2 259 31 31 VAL CG2 C 21.181 0.300 2 260 31 31 VAL N N 125.325 0.300 1 261 32 32 GLU H H 8.166 0.030 1 262 32 32 GLU HA H 4.038 0.030 1 263 32 32 GLU HB2 H 2.003 0.030 2 264 32 32 GLU HB3 H 1.889 0.030 2 265 32 32 GLU HG2 H 1.947 0.030 2 266 32 32 GLU HG3 H 2.492 0.030 2 267 32 32 GLU C C 176.501 0.300 1 268 32 32 GLU CA C 57.487 0.300 1 269 32 32 GLU CB C 30.113 0.300 1 270 32 32 GLU CG C 37.265 0.300 1 271 32 32 GLU N N 123.706 0.300 1 272 33 33 LEU H H 8.752 0.030 1 273 33 33 LEU HA H 4.566 0.030 1 274 33 33 LEU HB2 H 1.675 0.030 2 275 33 33 LEU HB3 H 1.601 0.030 2 276 33 33 LEU HD1 H 0.770 0.030 1 277 33 33 LEU HD2 H 0.729 0.030 1 278 33 33 LEU HG H 1.602 0.030 1 279 33 33 LEU C C 176.701 0.300 1 280 33 33 LEU CA C 53.631 0.300 1 281 33 33 LEU CB C 41.375 0.300 1 282 33 33 LEU CD1 C 27.105 0.300 2 283 33 33 LEU CD2 C 22.879 0.300 2 284 33 33 LEU CG C 26.682 0.300 1 285 33 33 LEU N N 126.952 0.300 1 286 34 34 GLY H H 8.358 0.030 1 287 34 34 GLY HA2 H 4.275 0.030 2 288 34 34 GLY HA3 H 3.969 0.030 2 289 34 34 GLY C C 173.276 0.300 1 290 34 34 GLY CA C 45.814 0.300 1 291 34 34 GLY N N 109.853 0.300 1 292 35 35 SER H H 8.784 0.030 1 293 35 35 SER HA H 5.606 0.030 1 294 35 35 SER HB2 H 4.136 0.030 2 295 35 35 SER HB3 H 3.993 0.030 2 296 35 35 SER C C 173.742 0.300 1 297 35 35 SER CA C 57.705 0.300 1 298 35 35 SER CB C 66.201 0.300 1 299 35 35 SER N N 117.517 0.300 1 300 36 36 GLY H H 8.758 0.030 1 301 36 36 GLY HA2 H 4.391 0.030 2 302 36 36 GLY HA3 H 4.221 0.030 2 303 36 36 GLY C C 172.099 0.300 1 304 36 36 GLY CA C 45.978 0.300 1 305 36 36 GLY N N 107.281 0.300 1 306 37 37 VAL H H 8.477 0.030 1 307 37 37 VAL HA H 4.950 0.030 1 308 37 37 VAL HB H 1.958 0.030 1 309 37 37 VAL HG1 H 0.728 0.030 1 310 37 37 VAL HG2 H 0.902 0.030 1 311 37 37 VAL C C 174.094 0.300 1 312 37 37 VAL CA C 61.018 0.300 1 313 37 37 VAL CB C 35.596 0.300 1 314 37 37 VAL CG1 C 21.532 0.300 2 315 37 37 VAL CG2 C 21.676 0.300 2 316 37 37 VAL N N 122.638 0.300 1 317 38 38 MET H H 9.989 0.030 1 318 38 38 MET HA H 5.298 0.030 1 319 38 38 MET HB2 H 2.020 0.030 2 320 38 38 MET HB3 H 1.592 0.030 2 321 38 38 MET HE H 1.387 0.030 1 322 38 38 MET HG2 H 2.097 0.030 2 323 38 38 MET HG3 H 1.999 0.030 2 324 38 38 MET C C 173.289 0.300 1 325 38 38 MET CA C 53.842 0.300 1 326 38 38 MET CB C 36.053 0.300 1 327 38 38 MET CE C 17.251 0.300 1 328 38 38 MET CG C 32.638 0.300 1 329 38 38 MET N N 130.089 0.300 1 330 39 39 GLU H H 10.309 0.030 1 331 39 39 GLU HA H 5.601 0.030 1 332 39 39 GLU HB2 H 2.323 0.030 2 333 39 39 GLU HB3 H 1.664 0.030 2 334 39 39 GLU HG2 H 1.990 0.030 2 335 39 39 GLU HG3 H 2.178 0.030 2 336 39 39 GLU C C 174.267 0.300 1 337 39 39 GLU CA C 53.493 0.300 1 338 39 39 GLU CB C 33.730 0.300 1 339 39 39 GLU CG C 35.772 0.300 1 340 39 39 GLU N N 131.059 0.300 1 341 40 40 LEU H H 8.555 0.030 1 342 40 40 LEU HA H 5.002 0.030 1 343 40 40 LEU HB2 H 1.538 0.030 2 344 40 40 LEU HB3 H 1.802 0.030 2 345 40 40 LEU HD1 H 0.736 0.030 1 346 40 40 LEU HD2 H 0.720 0.030 1 347 40 40 LEU HG H 1.821 0.030 1 348 40 40 LEU C C 177.234 0.300 1 349 40 40 LEU CA C 55.802 0.300 1 350 40 40 LEU CB C 41.621 0.300 1 351 40 40 LEU CD1 C 25.152 0.300 2 352 40 40 LEU CD2 C 26.445 0.300 2 353 40 40 LEU CG C 30.742 0.300 1 354 40 40 LEU N N 129.195 0.300 1 355 41 41 THR H H 8.288 0.030 1 356 41 41 THR HA H 4.932 0.030 1 357 41 41 THR HB H 4.853 0.030 1 358 41 41 THR HG2 H 1.154 0.030 1 359 41 41 THR C C 174.733 0.300 1 360 41 41 THR CA C 59.563 0.300 1 361 41 41 THR CB C 70.147 0.300 1 362 41 41 THR CG2 C 21.563 0.300 1 363 41 41 THR N N 114.443 0.300 1 364 42 42 GLN H H 8.698 0.030 1 365 42 42 GLN HA H 4.292 0.030 1 366 42 42 GLN HB2 H 2.172 0.030 1 367 42 42 GLN HB3 H 2.172 0.030 1 368 42 42 GLN HE21 H 7.522 0.030 2 369 42 42 GLN HE22 H 6.862 0.030 2 370 42 42 GLN HG2 H 2.486 0.030 2 371 42 42 GLN HG3 H 2.519 0.030 2 372 42 42 GLN C C 176.603 0.300 1 373 42 42 GLN CA C 59.176 0.300 1 374 42 42 GLN CB C 28.452 0.300 1 375 42 42 GLN CG C 34.059 0.300 1 376 42 42 GLN N N 117.586 0.300 1 377 42 42 GLN NE2 N 112.362 0.300 1 378 43 43 SER H H 7.927 0.030 1 379 43 43 SER HA H 4.652 0.030 1 380 43 43 SER HB2 H 3.807 0.030 2 381 43 43 SER HB3 H 3.639 0.030 2 382 43 43 SER C C 173.641 0.300 1 383 43 43 SER CA C 58.720 0.300 1 384 43 43 SER CB C 66.147 0.300 1 385 43 43 SER N N 106.838 0.300 1 386 44 44 GLU H H 7.184 0.030 1 387 44 44 GLU HA H 4.142 0.030 1 388 44 44 GLU HB2 H 1.610 0.030 2 389 44 44 GLU HB3 H 1.384 0.030 2 390 44 44 GLU HG2 H 1.729 0.030 2 391 44 44 GLU HG3 H 1.845 0.030 2 392 44 44 GLU C C 173.690 0.300 1 393 44 44 GLU CA C 55.138 0.300 1 394 44 44 GLU CB C 33.892 0.300 1 395 44 44 GLU CG C 35.374 0.300 1 396 44 44 GLU N N 120.778 0.300 1 397 45 45 LEU H H 8.278 0.030 1 398 45 45 LEU HA H 4.874 0.030 1 399 45 45 LEU HB2 H 1.852 0.030 2 400 45 45 LEU HB3 H 1.767 0.030 2 401 45 45 LEU HD1 H 0.294 0.030 1 402 45 45 LEU HD2 H 0.677 0.030 1 403 45 45 LEU HG H 1.665 0.030 1 404 45 45 LEU C C 176.027 0.300 1 405 45 45 LEU CA C 54.610 0.300 1 406 45 45 LEU CB C 44.252 0.300 1 407 45 45 LEU CD1 C 25.934 0.300 2 408 45 45 LEU CD2 C 24.755 0.300 2 409 45 45 LEU CG C 27.318 0.300 1 410 45 45 LEU N N 121.692 0.300 1 411 46 46 VAL H H 9.334 0.030 1 412 46 46 VAL HA H 4.541 0.030 1 413 46 46 VAL HB H 1.967 0.030 1 414 46 46 VAL HG1 H 0.252 0.030 1 415 46 46 VAL HG2 H 0.728 0.030 1 416 46 46 VAL C C 173.746 0.300 1 417 46 46 VAL CA C 61.483 0.300 1 418 46 46 VAL CB C 34.113 0.300 1 419 46 46 VAL CG1 C 20.919 0.300 2 420 46 46 VAL CG2 C 21.542 0.300 2 421 46 46 VAL N N 124.918 0.300 1 422 47 47 LEU H H 9.660 0.030 1 423 47 47 LEU HA H 5.067 0.030 1 424 47 47 LEU HB2 H 1.313 0.030 2 425 47 47 LEU HB3 H 2.164 0.030 2 426 47 47 LEU HD1 H 1.182 0.030 1 427 47 47 LEU HD2 H 0.632 0.030 1 428 47 47 LEU HG H 1.404 0.030 1 429 47 47 LEU C C 174.264 0.300 1 430 47 47 LEU CA C 53.143 0.300 1 431 47 47 LEU CB C 45.333 0.300 1 432 47 47 LEU CD1 C 29.191 0.300 2 433 47 47 LEU CD2 C 22.809 0.300 2 434 47 47 LEU CG C 27.562 0.300 1 435 47 47 LEU N N 128.953 0.300 1 436 48 48 HIS H H 9.412 0.030 1 437 48 48 HIS HA H 4.642 0.030 1 438 48 48 HIS HB2 H 2.975 0.030 2 439 48 48 HIS HB3 H 3.194 0.030 2 440 48 48 HIS HD2 H 6.873 0.030 1 441 48 48 HIS HE1 H 7.670 0.030 1 442 48 48 HIS C C 176.340 0.300 1 443 48 48 HIS CA C 55.432 0.300 1 444 48 48 HIS CB C 30.935 0.300 1 445 48 48 HIS CD2 C 118.438 0.300 1 446 48 48 HIS CE1 C 138.505 0.300 1 447 48 48 HIS N N 127.701 0.300 1 448 49 49 LEU H H 8.707 0.030 1 449 49 49 LEU HA H 4.712 0.030 1 450 49 49 LEU HB2 H 1.617 0.030 2 451 49 49 LEU HB3 H 1.502 0.030 2 452 49 49 LEU HD1 H 0.939 0.030 1 453 49 49 LEU HD2 H 0.905 0.030 1 454 49 49 LEU HG H 1.582 0.030 1 455 49 49 LEU C C 176.545 0.300 1 456 49 49 LEU CA C 53.870 0.300 1 457 49 49 LEU CB C 44.581 0.300 1 458 49 49 LEU CD1 C 25.893 0.300 2 459 49 49 LEU CD2 C 23.038 0.300 2 460 49 49 LEU CG C 26.992 0.300 1 461 49 49 LEU N N 127.139 0.300 1 462 50 50 HIS H H 8.696 0.030 1 463 50 50 HIS HA H 4.522 0.030 1 464 50 50 HIS HB2 H 3.133 0.030 1 465 50 50 HIS HB3 H 3.133 0.030 1 466 50 50 HIS HD2 H 7.074 0.030 1 467 50 50 HIS HE1 H 7.781 0.030 1 468 50 50 HIS C C 176.100 0.300 1 469 50 50 HIS CA C 57.980 0.300 1 470 50 50 HIS CB C 31.009 0.300 1 471 50 50 HIS CD2 C 119.651 0.300 1 472 50 50 HIS CE1 C 138.642 0.300 1 473 50 50 HIS N N 121.891 0.300 1 474 51 51 ARG H H 8.827 0.030 1 475 51 51 ARG HA H 3.814 0.030 1 476 51 51 ARG HB2 H 1.982 0.030 2 477 51 51 ARG HB3 H 1.788 0.030 2 478 51 51 ARG HD2 H 3.096 0.030 1 479 51 51 ARG HD3 H 3.096 0.030 1 480 51 51 ARG HG2 H 1.211 0.030 2 481 51 51 ARG HG3 H 0.984 0.030 2 482 51 51 ARG CA C 57.504 0.300 1 483 51 51 ARG CB C 28.107 0.300 1 484 51 51 ARG CD C 43.430 0.300 1 485 51 51 ARG CG C 27.338 0.300 1 486 51 51 ARG N N 119.507 0.300 1 487 52 52 ARG H H 7.759 0.030 1 488 52 52 ARG HA H 4.653 0.030 1 489 52 52 ARG HB2 H 1.641 0.030 2 490 52 52 ARG HB3 H 1.963 0.030 2 491 52 52 ARG HD2 H 3.231 0.030 2 492 52 52 ARG HD3 H 3.148 0.030 2 493 52 52 ARG HG2 H 1.592 0.030 2 494 52 52 ARG HG3 H 1.645 0.030 2 495 52 52 ARG CA C 54.774 0.300 1 496 52 52 ARG CB C 33.456 0.300 1 497 52 52 ARG CD C 43.477 0.300 1 498 52 52 ARG CG C 26.942 0.300 1 499 52 52 ARG N N 116.796 0.300 1 500 53 53 GLU H H 8.288 0.030 1 501 53 53 GLU HA H 4.232 0.030 1 502 53 53 GLU HB2 H 1.922 0.030 2 503 53 53 GLU HB3 H 1.982 0.030 2 504 53 53 GLU HG2 H 2.322 0.030 1 505 53 53 GLU HG3 H 2.322 0.030 1 506 53 53 GLU C C 175.741 0.300 1 507 53 53 GLU CA C 56.377 0.300 1 508 53 53 GLU CB C 30.031 0.300 1 509 53 53 GLU CG C 36.412 0.300 1 510 53 53 GLU N N 120.784 0.300 1 511 54 54 ALA H H 8.351 0.030 1 512 54 54 ALA HA H 4.559 0.030 1 513 54 54 ALA HB H 0.996 0.030 1 514 54 54 ALA C C 177.656 0.300 1 515 54 54 ALA CA C 52.206 0.300 1 516 54 54 ALA CB C 19.151 0.300 1 517 54 54 ALA N N 124.757 0.300 1 518 55 55 VAL H H 8.356 0.030 1 519 55 55 VAL HA H 3.901 0.030 1 520 55 55 VAL HB H 1.412 0.030 1 521 55 55 VAL HG1 H -0.262 0.030 1 522 55 55 VAL HG2 H 0.692 0.030 1 523 55 55 VAL C C 173.612 0.300 1 524 55 55 VAL CA C 61.104 0.300 1 525 55 55 VAL CB C 33.586 0.300 1 526 55 55 VAL CG1 C 21.540 0.300 2 527 55 55 VAL CG2 C 21.234 0.300 2 528 55 55 VAL N N 122.797 0.300 1 529 56 56 ARG H H 7.662 0.030 1 530 56 56 ARG HA H 5.263 0.030 1 531 56 56 ARG HB2 H 1.473 0.030 2 532 56 56 ARG HB3 H 1.365 0.030 2 533 56 56 ARG HD2 H 3.166 0.030 2 534 56 56 ARG HD3 H 3.012 0.030 2 535 56 56 ARG HE H 7.541 0.030 1 536 56 56 ARG HG2 H 1.254 0.030 1 537 56 56 ARG HG3 H 1.254 0.030 1 538 56 56 ARG C C 176.786 0.300 1 539 56 56 ARG CA C 53.944 0.300 1 540 56 56 ARG CB C 33.401 0.300 1 541 56 56 ARG CD C 43.149 0.300 1 542 56 56 ARG CG C 27.850 0.300 1 543 56 56 ARG N N 122.467 0.300 1 544 56 56 ARG NE N 85.307 0.300 1 545 57 57 TRP H H 9.637 0.030 1 546 57 57 TRP HA H 5.058 0.030 1 547 57 57 TRP HB2 H 3.118 0.030 2 548 57 57 TRP HB3 H 2.549 0.030 2 549 57 57 TRP HD1 H 7.692 0.030 1 550 57 57 TRP HE1 H 9.332 0.030 1 551 57 57 TRP HE3 H 7.422 0.030 1 552 57 57 TRP HH2 H 6.737 0.030 1 553 57 57 TRP HZ2 H 6.043 0.030 1 554 57 57 TRP HZ3 H 6.750 0.030 1 555 57 57 TRP C C 172.588 0.300 1 556 57 57 TRP CA C 56.037 0.300 1 557 57 57 TRP CB C 31.392 0.300 1 558 57 57 TRP CD1 C 126.742 0.300 1 559 57 57 TRP CE3 C 122.153 0.300 1 560 57 57 TRP CH2 C 123.208 0.300 1 561 57 57 TRP CZ2 C 114.442 0.300 1 562 57 57 TRP CZ3 C 121.515 0.300 1 563 57 57 TRP N N 123.652 0.300 1 564 57 57 TRP NE1 N 126.926 0.300 1 565 58 58 PRO HA H 4.633 0.030 1 566 58 58 PRO HB2 H 1.994 0.030 2 567 58 58 PRO HB3 H 2.560 0.030 2 568 58 58 PRO HD2 H 4.096 0.030 2 569 58 58 PRO HD3 H 3.837 0.030 2 570 58 58 PRO HG2 H 2.178 0.030 2 571 58 58 PRO HG3 H 2.288 0.030 2 572 58 58 PRO CA C 62.008 0.300 1 573 58 58 PRO CB C 32.010 0.300 1 574 58 58 PRO CD C 51.486 0.300 1 575 58 58 PRO CG C 28.222 0.300 1 576 59 59 TYR H H 8.400 0.030 1 577 59 59 TYR HA H 4.479 0.030 1 578 59 59 TYR HB2 H 2.836 0.030 2 579 59 59 TYR HB3 H 3.435 0.030 2 580 59 59 TYR HD1 H 6.742 0.030 1 581 59 59 TYR HD2 H 6.742 0.030 1 582 59 59 TYR HE1 H 6.445 0.030 1 583 59 59 TYR HE2 H 6.445 0.030 1 584 59 59 TYR CA C 58.838 0.300 1 585 59 59 TYR CB C 35.867 0.300 1 586 59 59 TYR CD1 C 129.542 0.300 1 587 59 59 TYR CD2 C 129.542 0.300 1 588 59 59 TYR CE1 C 119.784 0.300 1 589 59 59 TYR CE2 C 119.784 0.300 1 590 59 59 TYR N N 127.219 0.300 1 591 60 60 LEU H H 7.880 0.030 1 592 60 60 LEU HA H 4.102 0.030 1 593 60 60 LEU HB2 H 1.615 0.030 1 594 60 60 LEU HB3 H 1.615 0.030 1 595 60 60 LEU HD1 H 0.887 0.030 1 596 60 60 LEU HD2 H 0.791 0.030 1 597 60 60 LEU HG H 1.742 0.030 1 598 60 60 LEU C C 177.070 0.300 1 599 60 60 LEU CA C 57.012 0.300 1 600 60 60 LEU CB C 42.361 0.300 1 601 60 60 LEU CD1 C 24.854 0.300 2 602 60 60 LEU CD2 C 23.940 0.300 2 603 60 60 LEU CG C 27.092 0.300 1 604 60 60 LEU N N 113.579 0.300 1 605 61 61 CYS H H 8.117 0.030 1 606 61 61 CYS HA H 5.215 0.030 1 607 61 61 CYS HB2 H 3.142 0.030 2 608 61 61 CYS HB3 H 2.938 0.030 2 609 61 61 CYS C C 175.508 0.300 1 610 61 61 CYS CA C 57.675 0.300 1 611 61 61 CYS CB C 29.041 0.300 1 612 61 61 CYS N N 113.570 0.300 1 613 62 62 LEU H H 7.851 0.030 1 614 62 62 LEU HA H 4.699 0.030 1 615 62 62 LEU HB2 H 2.243 0.030 2 616 62 62 LEU HB3 H 1.126 0.030 2 617 62 62 LEU HD1 H 0.780 0.030 1 618 62 62 LEU HD2 H 0.610 0.030 1 619 62 62 LEU HG H 2.053 0.030 1 620 62 62 LEU C C 176.549 0.300 1 621 62 62 LEU CA C 55.596 0.300 1 622 62 62 LEU CB C 41.479 0.300 1 623 62 62 LEU CD1 C 26.332 0.300 2 624 62 62 LEU CD2 C 23.676 0.300 2 625 62 62 LEU CG C 26.816 0.300 1 626 62 62 LEU N N 123.937 0.300 1 627 63 63 ARG H H 9.329 0.030 1 628 63 63 ARG HA H 4.483 0.030 1 629 63 63 ARG HB2 H 1.933 0.030 2 630 63 63 ARG HB3 H 1.584 0.030 2 631 63 63 ARG HD2 H 3.078 0.030 2 632 63 63 ARG HD3 H 3.168 0.030 2 633 63 63 ARG HG2 H 1.759 0.030 1 634 63 63 ARG HG3 H 1.759 0.030 1 635 63 63 ARG C C 177.884 0.300 1 636 63 63 ARG CA C 57.859 0.300 1 637 63 63 ARG CB C 32.235 0.300 1 638 63 63 ARG CD C 43.422 0.300 1 639 63 63 ARG CG C 27.729 0.300 1 640 63 63 ARG N N 124.517 0.300 1 641 64 64 ARG H H 7.676 0.030 1 642 64 64 ARG HA H 5.033 0.030 1 643 64 64 ARG HB2 H 1.713 0.030 2 644 64 64 ARG HB3 H 0.976 0.030 2 645 64 64 ARG HD2 H 2.466 0.030 2 646 64 64 ARG HD3 H 1.552 0.030 2 647 64 64 ARG HE H 7.287 0.030 1 648 64 64 ARG HG2 H 1.032 0.030 2 649 64 64 ARG HG3 H 1.172 0.030 2 650 64 64 ARG C C 174.037 0.300 1 651 64 64 ARG CA C 54.840 0.300 1 652 64 64 ARG CB C 32.998 0.300 1 653 64 64 ARG CD C 42.872 0.300 1 654 64 64 ARG CG C 25.922 0.300 1 655 64 64 ARG N N 110.416 0.300 1 656 64 64 ARG NE N 84.783 0.300 1 657 65 65 TYR H H 8.612 0.030 1 658 65 65 TYR HA H 5.671 0.030 1 659 65 65 TYR HB2 H 3.270 0.030 2 660 65 65 TYR HB3 H 3.166 0.030 2 661 65 65 TYR HD1 H 6.723 0.030 1 662 65 65 TYR HD2 H 6.723 0.030 1 663 65 65 TYR HE1 H 6.145 0.030 1 664 65 65 TYR HE2 H 6.145 0.030 1 665 65 65 TYR C C 172.833 0.300 1 666 65 65 TYR CA C 56.952 0.300 1 667 65 65 TYR CB C 40.306 0.300 1 668 65 65 TYR CD1 C 133.440 0.300 1 669 65 65 TYR CD2 C 133.440 0.300 1 670 65 65 TYR CE1 C 117.914 0.300 1 671 65 65 TYR CE2 C 117.914 0.300 1 672 65 65 TYR N N 116.561 0.300 1 673 66 66 GLY H H 9.506 0.030 1 674 66 66 GLY HA2 H 5.166 0.030 2 675 66 66 GLY HA3 H 4.210 0.030 2 676 66 66 GLY C C 170.408 0.300 1 677 66 66 GLY CA C 47.556 0.300 1 678 66 66 GLY N N 107.176 0.300 1 679 67 67 TYR H H 7.910 0.030 1 680 67 67 TYR HA H 5.942 0.030 1 681 67 67 TYR HB2 H 2.967 0.030 2 682 67 67 TYR HB3 H 3.343 0.030 2 683 67 67 TYR HD1 H 6.277 0.030 1 684 67 67 TYR HD2 H 6.277 0.030 1 685 67 67 TYR HE1 H 6.301 0.030 1 686 67 67 TYR HE2 H 6.301 0.030 1 687 67 67 TYR C C 173.652 0.300 1 688 67 67 TYR CA C 56.675 0.300 1 689 67 67 TYR CB C 42.465 0.300 1 690 67 67 TYR CD1 C 132.742 0.300 1 691 67 67 TYR CD2 C 132.742 0.300 1 692 67 67 TYR CE1 C 118.042 0.300 1 693 67 67 TYR CE2 C 118.042 0.300 1 694 67 67 TYR N N 114.720 0.300 1 695 68 68 ASP H H 9.241 0.030 1 696 68 68 ASP HA H 4.230 0.030 1 697 68 68 ASP HB2 H 2.470 0.030 2 698 68 68 ASP HB3 H 2.766 0.030 2 699 68 68 ASP C C 176.200 0.300 1 700 68 68 ASP CA C 53.643 0.300 1 701 68 68 ASP CB C 45.160 0.300 1 702 68 68 ASP N N 121.673 0.300 1 703 69 69 SER H H 9.080 0.030 1 704 69 69 SER HA H 4.208 0.030 1 705 69 69 SER HB2 H 3.912 0.030 2 706 69 69 SER HB3 H 3.987 0.030 2 707 69 69 SER C C 174.768 0.300 1 708 69 69 SER CA C 61.128 0.300 1 709 69 69 SER CB C 62.423 0.300 1 710 69 69 SER N N 117.278 0.300 1 711 70 70 ASN H H 8.723 0.030 1 712 70 70 ASN HA H 5.235 0.030 1 713 70 70 ASN HB2 H 2.860 0.030 2 714 70 70 ASN HB3 H 2.962 0.030 2 715 70 70 ASN HD21 H 6.866 0.030 2 716 70 70 ASN HD22 H 7.553 0.030 2 717 70 70 ASN C C 174.906 0.300 1 718 70 70 ASN CA C 53.295 0.300 1 719 70 70 ASN CB C 39.017 0.300 1 720 70 70 ASN N N 119.859 0.300 1 721 70 70 ASN ND2 N 111.930 0.300 1 722 71 71 LEU H H 8.162 0.030 1 723 71 71 LEU HA H 5.246 0.030 1 724 71 71 LEU HB2 H 1.481 0.030 2 725 71 71 LEU HB3 H 1.298 0.030 2 726 71 71 LEU HD1 H 0.609 0.030 1 727 71 71 LEU HD2 H 0.728 0.030 1 728 71 71 LEU HG H 1.142 0.030 1 729 71 71 LEU C C 173.854 0.300 1 730 71 71 LEU CA C 54.650 0.300 1 731 71 71 LEU CB C 47.127 0.300 1 732 71 71 LEU CD1 C 25.835 0.300 2 733 71 71 LEU CD2 C 23.947 0.300 2 734 71 71 LEU CG C 27.342 0.300 1 735 71 71 LEU N N 123.025 0.300 1 736 72 72 PHE H H 9.397 0.030 1 737 72 72 PHE HA H 5.579 0.030 1 738 72 72 PHE HB2 H 3.205 0.030 2 739 72 72 PHE HB3 H 2.799 0.030 2 740 72 72 PHE HD1 H 7.337 0.030 1 741 72 72 PHE HD2 H 7.337 0.030 1 742 72 72 PHE HE1 H 7.212 0.030 1 743 72 72 PHE HE2 H 7.212 0.030 1 744 72 72 PHE HZ H 6.965 0.030 1 745 72 72 PHE C C 173.758 0.300 1 746 72 72 PHE CA C 55.740 0.300 1 747 72 72 PHE CB C 44.088 0.300 1 748 72 72 PHE CE1 C 130.828 0.300 1 749 72 72 PHE CE2 C 130.828 0.300 1 750 72 72 PHE CZ C 129.556 0.300 1 751 72 72 PHE N N 125.887 0.300 1 752 73 73 SER H H 8.159 0.030 1 753 73 73 SER HA H 5.267 0.030 1 754 73 73 SER HB2 H 2.999 0.030 2 755 73 73 SER HB3 H 2.700 0.030 2 756 73 73 SER C C 171.329 0.300 1 757 73 73 SER CA C 55.432 0.300 1 758 73 73 SER CB C 66.659 0.300 1 759 73 73 SER N N 120.796 0.300 1 760 74 74 PHE H H 8.099 0.030 1 761 74 74 PHE HA H 5.426 0.030 1 762 74 74 PHE HB2 H 3.011 0.030 2 763 74 74 PHE HB3 H 3.239 0.030 2 764 74 74 PHE HD1 H 6.621 0.030 1 765 74 74 PHE HD2 H 6.621 0.030 1 766 74 74 PHE HE1 H 5.941 0.030 1 767 74 74 PHE HE2 H 5.941 0.030 1 768 74 74 PHE HZ H 4.482 0.030 1 769 74 74 PHE C C 170.999 0.300 1 770 74 74 PHE CA C 56.647 0.300 1 771 74 74 PHE CB C 41.782 0.300 1 772 74 74 PHE CD1 C 131.801 0.300 1 773 74 74 PHE CD2 C 131.801 0.300 1 774 74 74 PHE CE1 C 129.895 0.300 1 775 74 74 PHE CE2 C 129.895 0.300 1 776 74 74 PHE CZ C 129.342 0.300 1 777 74 74 PHE N N 117.309 0.300 1 778 75 75 GLU H H 8.897 0.030 1 779 75 75 GLU HA H 5.897 0.030 1 780 75 75 GLU HB2 H 1.713 0.030 2 781 75 75 GLU HB3 H 2.071 0.030 2 782 75 75 GLU HG2 H 2.349 0.030 2 783 75 75 GLU HG3 H 2.097 0.030 2 784 75 75 GLU C C 175.906 0.300 1 785 75 75 GLU CA C 52.772 0.300 1 786 75 75 GLU CB C 34.635 0.300 1 787 75 75 GLU CG C 35.542 0.300 1 788 75 75 GLU N N 119.997 0.300 1 789 76 76 SER H H 9.972 0.030 1 790 76 76 SER HA H 5.243 0.030 1 791 76 76 SER HB2 H 4.092 0.030 2 792 76 76 SER HB3 H 5.043 0.030 2 793 76 76 SER C C 175.625 0.300 1 794 76 76 SER CA C 57.240 0.300 1 795 76 76 SER CB C 68.606 0.300 1 796 76 76 SER N N 123.573 0.300 1 797 77 77 GLY H H 8.718 0.030 1 798 77 77 GLY HA2 H 4.432 0.030 2 799 77 77 GLY HA3 H 4.097 0.030 2 800 77 77 GLY C C 172.566 0.300 1 801 77 77 GLY CA C 43.626 0.300 1 802 77 77 GLY N N 106.966 0.300 1 803 78 78 ARG H H 8.393 0.030 1 804 78 78 ARG HA H 4.111 0.030 1 805 78 78 ARG HB2 H 1.927 0.030 1 806 78 78 ARG HB3 H 1.927 0.030 1 807 78 78 ARG HD2 H 3.272 0.030 1 808 78 78 ARG HD3 H 3.272 0.030 1 809 78 78 ARG HG2 H 1.764 0.030 2 810 78 78 ARG HG3 H 1.792 0.030 2 811 78 78 ARG C C 178.750 0.300 1 812 78 78 ARG CA C 58.838 0.300 1 813 78 78 ARG CB C 31.466 0.300 1 814 78 78 ARG CD C 43.594 0.300 1 815 78 78 ARG CG C 28.012 0.300 1 816 78 78 ARG N N 113.730 0.300 1 817 79 79 ARG H H 8.613 0.030 1 818 79 79 ARG HA H 4.518 0.030 1 819 79 79 ARG HB2 H 1.875 0.030 2 820 79 79 ARG HB3 H 1.762 0.030 2 821 79 79 ARG HD2 H 3.207 0.030 1 822 79 79 ARG HD3 H 3.207 0.030 1 823 79 79 ARG HG2 H 1.683 0.030 2 824 79 79 ARG HG3 H 1.563 0.030 2 825 79 79 ARG C C 174.328 0.300 1 826 79 79 ARG CA C 55.694 0.300 1 827 79 79 ARG CB C 27.622 0.300 1 828 79 79 ARG CD C 43.594 0.300 1 829 79 79 ARG CG C 27.472 0.300 1 830 79 79 ARG N N 120.937 0.300 1 831 80 80 CYS H H 8.373 0.030 1 832 80 80 CYS HA H 4.852 0.030 1 833 80 80 CYS HB2 H 3.917 0.030 2 834 80 80 CYS HB3 H 3.177 0.030 2 835 80 80 CYS C C 174.792 0.300 1 836 80 80 CYS CA C 56.583 0.300 1 837 80 80 CYS CB C 30.097 0.300 1 838 80 80 CYS N N 114.441 0.300 1 839 81 81 GLN H H 9.291 0.030 1 840 81 81 GLN HA H 4.067 0.030 1 841 81 81 GLN HB2 H 1.971 0.030 2 842 81 81 GLN HB3 H 2.183 0.030 2 843 81 81 GLN HE21 H 6.963 0.030 2 844 81 81 GLN HE22 H 7.505 0.030 2 845 81 81 GLN HG2 H 2.282 0.030 2 846 81 81 GLN HG3 H 2.363 0.030 2 847 81 81 GLN C C 178.593 0.300 1 848 81 81 GLN CA C 59.606 0.300 1 849 81 81 GLN CB C 28.874 0.300 1 850 81 81 GLN CG C 33.981 0.300 1 851 81 81 GLN N N 122.771 0.300 1 852 81 81 GLN NE2 N 111.626 0.300 1 853 82 82 THR H H 8.464 0.030 1 854 82 82 THR HA H 4.202 0.030 1 855 82 82 THR HB H 4.514 0.030 1 856 82 82 THR HG2 H 1.026 0.030 1 857 82 82 THR C C 176.875 0.300 1 858 82 82 THR CA C 63.488 0.300 1 859 82 82 THR CB C 70.958 0.300 1 860 82 82 THR CG2 C 20.863 0.300 1 861 82 82 THR N N 106.897 0.300 1 862 83 83 GLY H H 7.884 0.030 1 863 83 83 GLY HA2 H 4.037 0.030 2 864 83 83 GLY HA3 H 4.377 0.030 2 865 83 83 GLY C C 173.322 0.300 1 866 83 83 GLY CA C 44.835 0.300 1 867 83 83 GLY N N 113.654 0.300 1 868 84 84 GLN H H 8.731 0.030 1 869 84 84 GLN HA H 4.339 0.030 1 870 84 84 GLN HB2 H 2.000 0.030 2 871 84 84 GLN HB3 H 1.909 0.030 2 872 84 84 GLN HE21 H 7.762 0.030 2 873 84 84 GLN HE22 H 6.848 0.030 2 874 84 84 GLN HG2 H 2.590 0.030 2 875 84 84 GLN HG3 H 2.555 0.030 2 876 84 84 GLN C C 176.911 0.300 1 877 84 84 GLN CA C 55.596 0.300 1 878 84 84 GLN CB C 28.881 0.300 1 879 84 84 GLN CG C 33.072 0.300 1 880 84 84 GLN N N 121.255 0.300 1 881 84 84 GLN NE2 N 110.880 0.300 1 882 85 85 GLY H H 8.132 0.030 1 883 85 85 GLY HA2 H 3.478 0.030 2 884 85 85 GLY HA3 H 3.841 0.030 2 885 85 85 GLY C C 168.930 0.300 1 886 85 85 GLY CA C 45.374 0.300 1 887 85 85 GLY N N 112.687 0.300 1 888 86 86 ILE H H 7.945 0.030 1 889 86 86 ILE HA H 4.439 0.030 1 890 86 86 ILE HB H 1.398 0.030 1 891 86 86 ILE HD1 H 0.571 0.030 1 892 86 86 ILE HG12 H 1.648 0.030 2 893 86 86 ILE HG13 H 0.622 0.030 2 894 86 86 ILE HG2 H 0.532 0.030 1 895 86 86 ILE C C 173.277 0.300 1 896 86 86 ILE CA C 60.450 0.300 1 897 86 86 ILE CB C 38.243 0.300 1 898 86 86 ILE CD1 C 13.550 0.300 1 899 86 86 ILE CG1 C 27.813 0.300 1 900 86 86 ILE CG2 C 18.742 0.300 1 901 86 86 ILE N N 120.436 0.300 1 902 87 87 PHE H H 8.286 0.030 1 903 87 87 PHE HA H 4.794 0.030 1 904 87 87 PHE HB2 H 2.462 0.030 2 905 87 87 PHE HB3 H 1.507 0.030 2 906 87 87 PHE HD1 H 6.795 0.030 1 907 87 87 PHE HD2 H 6.795 0.030 1 908 87 87 PHE HE1 H 7.355 0.030 1 909 87 87 PHE HE2 H 7.355 0.030 1 910 87 87 PHE HZ H 7.088 0.030 1 911 87 87 PHE C C 174.685 0.300 1 912 87 87 PHE CA C 55.268 0.300 1 913 87 87 PHE CB C 42.628 0.300 1 914 87 87 PHE CD1 C 133.342 0.300 1 915 87 87 PHE CD2 C 133.342 0.300 1 916 87 87 PHE CE1 C 130.822 0.300 1 917 87 87 PHE CE2 C 130.822 0.300 1 918 87 87 PHE CZ C 128.142 0.300 1 919 87 87 PHE N N 123.012 0.300 1 920 88 88 ALA H H 9.462 0.030 1 921 88 88 ALA HA H 5.058 0.030 1 922 88 88 ALA HB H 1.023 0.030 1 923 88 88 ALA C C 175.549 0.300 1 924 88 88 ALA CA C 50.703 0.300 1 925 88 88 ALA CB C 23.810 0.300 1 926 88 88 ALA N N 125.346 0.300 1 927 89 89 PHE H H 9.298 0.030 1 928 89 89 PHE HA H 5.260 0.030 1 929 89 89 PHE HB2 H 2.890 0.030 2 930 89 89 PHE HB3 H 3.001 0.030 2 931 89 89 PHE HD1 H 7.082 0.030 1 932 89 89 PHE HD2 H 7.082 0.030 1 933 89 89 PHE HE1 H 7.213 0.030 1 934 89 89 PHE HE2 H 7.213 0.030 1 935 89 89 PHE HZ H 7.132 0.030 1 936 89 89 PHE C C 174.766 0.300 1 937 89 89 PHE CA C 56.254 0.300 1 938 89 89 PHE CB C 42.783 0.300 1 939 89 89 PHE CD1 C 131.582 0.300 1 940 89 89 PHE CD2 C 131.582 0.300 1 941 89 89 PHE CE1 C 131.442 0.300 1 942 89 89 PHE CE2 C 131.442 0.300 1 943 89 89 PHE CZ C 129.023 0.300 1 944 89 89 PHE N N 117.638 0.300 1 945 90 90 LYS H H 9.668 0.030 1 946 90 90 LYS HA H 5.113 0.030 1 947 90 90 LYS HB2 H 1.820 0.030 2 948 90 90 LYS HB3 H 1.730 0.030 2 949 90 90 LYS HD2 H 1.673 0.030 1 950 90 90 LYS HD3 H 1.673 0.030 1 951 90 90 LYS HE2 H 2.955 0.030 2 952 90 90 LYS HE3 H 2.928 0.030 2 953 90 90 LYS HG2 H 1.471 0.030 2 954 90 90 LYS HG3 H 1.605 0.030 2 955 90 90 LYS C C 177.650 0.300 1 956 90 90 LYS CA C 56.083 0.300 1 957 90 90 LYS CB C 33.648 0.300 1 958 90 90 LYS CD C 29.803 0.300 1 959 90 90 LYS CE C 41.934 0.300 1 960 90 90 LYS CG C 25.091 0.300 1 961 90 90 LYS N N 126.451 0.300 1 962 91 91 CYS H H 8.468 0.030 1 963 91 91 CYS HA H 5.550 0.030 1 964 91 91 CYS HB2 H 2.402 0.030 2 965 91 91 CYS HB3 H 3.271 0.030 2 966 91 91 CYS CA C 58.802 0.300 1 967 91 91 CYS CB C 29.281 0.300 1 968 91 91 CYS N N 125.740 0.300 1 969 92 92 SER HA H 4.692 0.030 1 970 92 92 SER HB2 H 4.164 0.030 1 971 92 92 SER HB3 H 4.164 0.030 1 972 92 92 SER C C 175.038 0.300 1 973 92 92 SER CA C 61.022 0.300 1 974 92 92 SER CB C 62.913 0.300 1 975 93 93 ARG H H 7.895 0.030 1 976 93 93 ARG HA H 5.040 0.030 1 977 93 93 ARG HB2 H 2.748 0.030 2 978 93 93 ARG HB3 H 1.645 0.030 2 979 93 93 ARG HD2 H 3.656 0.030 2 980 93 93 ARG HD3 H 3.348 0.030 2 981 93 93 ARG HE H 7.373 0.030 1 982 93 93 ARG HG2 H 1.882 0.030 2 983 93 93 ARG HG3 H 1.764 0.030 2 984 93 93 ARG C C 175.714 0.300 1 985 93 93 ARG CA C 54.923 0.300 1 986 93 93 ARG CB C 31.512 0.300 1 987 93 93 ARG CD C 44.818 0.300 1 988 93 93 ARG CG C 26.426 0.300 1 989 93 93 ARG N N 121.458 0.300 1 990 93 93 ARG NE N 85.043 0.300 1 991 94 94 ALA H H 7.238 0.030 1 992 94 94 ALA HA H 3.624 0.030 1 993 94 94 ALA HB H 1.799 0.030 1 994 94 94 ALA C C 177.577 0.300 1 995 94 94 ALA CA C 56.849 0.300 1 996 94 94 ALA CB C 19.840 0.300 1 997 94 94 ALA N N 122.691 0.300 1 998 95 95 GLU H H 8.622 0.030 1 999 95 95 GLU HA H 2.682 0.030 1 1000 95 95 GLU HB2 H 1.751 0.030 1 1001 95 95 GLU HB3 H 1.751 0.030 1 1002 95 95 GLU HG2 H 1.650 0.030 2 1003 95 95 GLU HG3 H 1.964 0.030 2 1004 95 95 GLU C C 177.564 0.300 1 1005 95 95 GLU CA C 59.187 0.300 1 1006 95 95 GLU CB C 29.537 0.300 1 1007 95 95 GLU CG C 35.564 0.300 1 1008 95 95 GLU N N 116.066 0.300 1 1009 96 96 GLU H H 7.332 0.030 1 1010 96 96 GLU HA H 3.981 0.030 1 1011 96 96 GLU HB2 H 2.271 0.030 2 1012 96 96 GLU HB3 H 2.314 0.030 2 1013 96 96 GLU HG2 H 2.314 0.030 2 1014 96 96 GLU HG3 H 2.410 0.030 2 1015 96 96 GLU C C 179.514 0.300 1 1016 96 96 GLU CA C 59.457 0.300 1 1017 96 96 GLU CB C 30.577 0.300 1 1018 96 96 GLU CG C 37.265 0.300 1 1019 96 96 GLU N N 117.780 0.300 1 1020 97 97 ILE H H 7.394 0.030 1 1021 97 97 ILE HA H 2.674 0.030 1 1022 97 97 ILE HB H 0.744 0.030 1 1023 97 97 ILE HD1 H -0.017 0.030 1 1024 97 97 ILE HG12 H 0.478 0.030 2 1025 97 97 ILE HG13 H -1.389 0.030 2 1026 97 97 ILE HG2 H -0.471 0.030 1 1027 97 97 ILE C C 176.357 0.300 1 1028 97 97 ILE CA C 65.561 0.300 1 1029 97 97 ILE CB C 36.971 0.300 1 1030 97 97 ILE CD1 C 13.434 0.300 1 1031 97 97 ILE CG1 C 25.967 0.300 1 1032 97 97 ILE CG2 C 15.562 0.300 1 1033 97 97 ILE N N 119.445 0.300 1 1034 98 98 PHE H H 7.490 0.030 1 1035 98 98 PHE HA H 3.904 0.030 1 1036 98 98 PHE HB2 H 2.934 0.030 2 1037 98 98 PHE HB3 H 3.016 0.030 2 1038 98 98 PHE HD1 H 7.224 0.030 1 1039 98 98 PHE HD2 H 7.224 0.030 1 1040 98 98 PHE HE1 H 7.329 0.030 1 1041 98 98 PHE HE2 H 7.329 0.030 1 1042 98 98 PHE HZ H 7.157 0.030 1 1043 98 98 PHE C C 175.940 0.300 1 1044 98 98 PHE CA C 62.419 0.300 1 1045 98 98 PHE CB C 40.224 0.300 1 1046 98 98 PHE CD1 C 131.979 0.300 1 1047 98 98 PHE CD2 C 131.979 0.300 1 1048 98 98 PHE CE1 C 131.974 0.300 1 1049 98 98 PHE CE2 C 131.974 0.300 1 1050 98 98 PHE CZ C 130.085 0.300 1 1051 98 98 PHE N N 118.802 0.300 1 1052 99 99 ASN H H 8.417 0.030 1 1053 99 99 ASN HA H 4.261 0.030 1 1054 99 99 ASN HB2 H 2.752 0.030 1 1055 99 99 ASN HB3 H 2.752 0.030 1 1056 99 99 ASN HD21 H 7.008 0.030 2 1057 99 99 ASN HD22 H 7.505 0.030 2 1058 99 99 ASN C C 178.029 0.300 1 1059 99 99 ASN CA C 55.850 0.300 1 1060 99 99 ASN CB C 38.251 0.300 1 1061 99 99 ASN N N 116.392 0.300 1 1062 99 99 ASN ND2 N 110.756 0.300 1 1063 100 100 LEU H H 7.919 0.030 1 1064 100 100 LEU HA H 4.195 0.030 1 1065 100 100 LEU HB2 H 1.652 0.030 1 1066 100 100 LEU HB3 H 1.652 0.030 1 1067 100 100 LEU HD1 H 1.045 0.030 1 1068 100 100 LEU HD2 H 1.130 0.030 1 1069 100 100 LEU HG H 1.602 0.030 1 1070 100 100 LEU C C 178.135 0.300 1 1071 100 100 LEU CA C 57.546 0.300 1 1072 100 100 LEU CB C 41.537 0.300 1 1073 100 100 LEU CD1 C 23.480 0.300 2 1074 100 100 LEU CD2 C 26.297 0.300 2 1075 100 100 LEU CG C 27.042 0.300 1 1076 100 100 LEU N N 122.439 0.300 1 1077 101 101 LEU H H 8.360 0.030 1 1078 101 101 LEU HA H 3.487 0.030 1 1079 101 101 LEU HB2 H 1.056 0.030 2 1080 101 101 LEU HB3 H 1.194 0.030 2 1081 101 101 LEU HD1 H 0.138 0.030 1 1082 101 101 LEU HD2 H 0.133 0.030 1 1083 101 101 LEU HG H 0.598 0.030 1 1084 101 101 LEU C C 177.783 0.300 1 1085 101 101 LEU CA C 57.868 0.300 1 1086 101 101 LEU CB C 41.128 0.300 1 1087 101 101 LEU CD1 C 24.605 0.300 2 1088 101 101 LEU CD2 C 25.833 0.300 2 1089 101 101 LEU CG C 26.242 0.300 1 1090 101 101 LEU N N 120.750 0.300 1 1091 102 102 GLN H H 8.078 0.030 1 1092 102 102 GLN HA H 3.915 0.030 1 1093 102 102 GLN HB2 H 1.938 0.030 2 1094 102 102 GLN HB3 H 1.789 0.030 2 1095 102 102 GLN HE21 H 7.504 0.030 2 1096 102 102 GLN HE22 H 6.832 0.030 2 1097 102 102 GLN HG2 H 2.068 0.030 2 1098 102 102 GLN HG3 H 2.192 0.030 2 1099 102 102 GLN C C 178.627 0.300 1 1100 102 102 GLN CA C 59.243 0.300 1 1101 102 102 GLN CB C 29.337 0.300 1 1102 102 102 GLN CG C 34.552 0.300 1 1103 102 102 GLN N N 116.801 0.300 1 1104 102 102 GLN NE2 N 111.245 0.300 1 1105 103 103 ASP H H 7.313 0.030 1 1106 103 103 ASP HA H 4.413 0.030 1 1107 103 103 ASP HB2 H 2.823 0.030 2 1108 103 103 ASP HB3 H 2.707 0.030 2 1109 103 103 ASP C C 179.108 0.300 1 1110 103 103 ASP CA C 57.158 0.300 1 1111 103 103 ASP CB C 41.046 0.300 1 1112 103 103 ASP N N 119.105 0.300 1 1113 104 104 LEU H H 8.431 0.030 1 1114 104 104 LEU HA H 4.056 0.030 1 1115 104 104 LEU HB2 H 1.261 0.030 2 1116 104 104 LEU HB3 H 1.544 0.030 2 1117 104 104 LEU HD1 H 0.798 0.030 1 1118 104 104 LEU HD2 H 0.870 0.030 1 1119 104 104 LEU HG H 1.762 0.030 1 1120 104 104 LEU C C 180.222 0.300 1 1121 104 104 LEU CA C 57.698 0.300 1 1122 104 104 LEU CB C 42.165 0.300 1 1123 104 104 LEU CD1 C 26.496 0.300 2 1124 104 104 LEU CD2 C 22.650 0.300 2 1125 104 104 LEU CG C 26.742 0.300 1 1126 104 104 LEU N N 121.272 0.300 1 1127 105 105 MET H H 8.527 0.030 1 1128 105 105 MET HA H 4.099 0.030 1 1129 105 105 MET HB2 H 1.990 0.030 2 1130 105 105 MET HB3 H 1.922 0.030 2 1131 105 105 MET HE H 1.882 0.030 1 1132 105 105 MET HG2 H 2.044 0.030 2 1133 105 105 MET HG3 H 2.103 0.030 2 1134 105 105 MET C C 178.241 0.300 1 1135 105 105 MET CA C 57.475 0.300 1 1136 105 105 MET CB C 32.003 0.300 1 1137 105 105 MET CE C 17.022 0.300 1 1138 105 105 MET CG C 32.874 0.300 1 1139 105 105 MET N N 117.898 0.300 1 1140 106 106 GLN H H 7.639 0.030 1 1141 106 106 GLN HA H 4.272 0.030 1 1142 106 106 GLN HB2 H 2.254 0.030 2 1143 106 106 GLN HB3 H 2.210 0.030 2 1144 106 106 GLN HE21 H 7.626 0.030 2 1145 106 106 GLN HE22 H 6.863 0.030 2 1146 106 106 GLN HG2 H 2.532 0.030 2 1147 106 106 GLN HG3 H 2.471 0.030 2 1148 106 106 GLN C C 177.288 0.300 1 1149 106 106 GLN CA C 57.521 0.300 1 1150 106 106 GLN CB C 28.551 0.300 1 1151 106 106 GLN CG C 34.059 0.300 1 1152 106 106 GLN N N 118.094 0.300 1 1153 106 106 GLN NE2 N 112.639 0.300 1 1154 107 107 CYS H H 7.992 0.030 1 1155 107 107 CYS HA H 4.421 0.030 1 1156 107 107 CYS HB2 H 2.997 0.030 1 1157 107 107 CYS HB3 H 2.997 0.030 1 1158 107 107 CYS C C 175.046 0.300 1 1159 107 107 CYS CA C 59.940 0.300 1 1160 107 107 CYS CB C 27.505 0.300 1 1161 107 107 CYS N N 117.739 0.300 1 1162 108 108 ASN H H 8.166 0.030 1 1163 108 108 ASN HA H 4.780 0.030 1 1164 108 108 ASN HB2 H 2.895 0.030 1 1165 108 108 ASN HB3 H 2.895 0.030 1 1166 108 108 ASN HD21 H 7.082 0.030 2 1167 108 108 ASN HD22 H 7.667 0.030 2 1168 108 108 ASN C C 175.107 0.300 1 1169 108 108 ASN CA C 53.788 0.300 1 1170 108 108 ASN CB C 39.381 0.300 1 1171 108 108 ASN N N 119.659 0.300 1 1172 108 108 ASN ND2 N 112.842 0.300 1 1173 109 109 SER H H 8.132 0.030 1 1174 109 109 SER HA H 4.355 0.030 1 1175 109 109 SER HB2 H 3.904 0.030 1 1176 109 109 SER HB3 H 3.904 0.030 1 1177 109 109 SER C C 174.546 0.300 1 1178 109 109 SER CA C 59.074 0.300 1 1179 109 109 SER CB C 63.488 0.300 1 1180 109 109 SER N N 115.651 0.300 1 1181 110 110 ILE H H 7.814 0.030 1 1182 110 110 ILE HA H 4.170 0.030 1 1183 110 110 ILE HB H 1.890 0.030 1 1184 110 110 ILE HD1 H 0.860 0.030 1 1185 110 110 ILE HG12 H 1.437 0.030 2 1186 110 110 ILE HG13 H 1.185 0.030 2 1187 110 110 ILE HG2 H 0.885 0.030 1 1188 110 110 ILE C C 175.785 0.300 1 1189 110 110 ILE CA C 61.433 0.300 1 1190 110 110 ILE CB C 38.626 0.300 1 1191 110 110 ILE CD1 C 13.316 0.300 1 1192 110 110 ILE CG1 C 27.306 0.300 1 1193 110 110 ILE CG2 C 17.618 0.300 1 1194 110 110 ILE N N 120.615 0.300 1 1195 111 111 ASN H H 8.272 0.030 1 1196 111 111 ASN HA H 4.661 0.030 1 1197 111 111 ASN HB2 H 2.838 0.030 2 1198 111 111 ASN HB3 H 2.711 0.030 2 1199 111 111 ASN HD21 H 6.920 0.030 2 1200 111 111 ASN HD22 H 7.589 0.030 2 1201 111 111 ASN C C 175.051 0.300 1 1202 111 111 ASN CA C 53.212 0.300 1 1203 111 111 ASN CB C 39.035 0.300 1 1204 111 111 ASN N N 121.710 0.300 1 1205 111 111 ASN ND2 N 112.821 0.300 1 1206 112 112 VAL H H 8.008 0.030 1 1207 112 112 VAL HA H 4.096 0.030 1 1208 112 112 VAL HB H 2.104 0.030 1 1209 112 112 VAL HG1 H 0.912 0.030 1 1210 112 112 VAL HG2 H 0.912 0.030 1 1211 112 112 VAL C C 175.940 0.300 1 1212 112 112 VAL CA C 62.337 0.300 1 1213 112 112 VAL CB C 32.579 0.300 1 1214 112 112 VAL CG1 C 20.568 0.300 2 1215 112 112 VAL CG2 C 20.568 0.300 2 1216 112 112 VAL N N 120.044 0.300 1 1217 113 113 MET H H 8.301 0.030 1 1218 113 113 MET HA H 4.487 0.030 1 1219 113 113 MET HB2 H 2.083 0.030 2 1220 113 113 MET HB3 H 2.002 0.030 2 1221 113 113 MET HE H 2.082 0.030 1 1222 113 113 MET HG2 H 2.591 0.030 2 1223 113 113 MET HG3 H 2.518 0.030 2 1224 113 113 MET C C 175.893 0.300 1 1225 113 113 MET CA C 55.331 0.300 1 1226 113 113 MET CB C 32.908 0.300 1 1227 113 113 MET CE C 17.055 0.300 1 1228 113 113 MET CG C 32.086 0.300 1 1229 113 113 MET N N 123.247 0.300 1 1230 114 114 GLU H H 8.244 0.030 1 1231 114 114 GLU HA H 4.281 0.030 1 1232 114 114 GLU HB2 H 1.999 0.030 2 1233 114 114 GLU HB3 H 1.894 0.030 2 1234 114 114 GLU HG2 H 2.244 0.030 2 1235 114 114 GLU HG3 H 2.202 0.030 2 1236 114 114 GLU C C 175.944 0.300 1 1237 114 114 GLU CA C 56.190 0.300 1 1238 114 114 GLU CB C 30.606 0.300 1 1239 114 114 GLU CG C 36.196 0.300 1 1240 114 114 GLU N N 122.137 0.300 1 1241 115 115 GLU H H 8.386 0.030 1 1242 115 115 GLU HA H 4.528 0.030 1 1243 115 115 GLU HB2 H 1.880 0.030 2 1244 115 115 GLU HB3 H 2.007 0.030 2 1245 115 115 GLU HG2 H 2.267 0.030 1 1246 115 115 GLU HG3 H 2.267 0.030 1 1247 115 115 GLU C C 174.380 0.300 1 1248 115 115 GLU CA C 54.445 0.300 1 1249 115 115 GLU CB C 29.987 0.300 1 1250 115 115 GLU CG C 35.942 0.300 1 1251 115 115 GLU N N 123.831 0.300 1 1252 116 116 PRO HA H 4.422 0.030 1 1253 116 116 PRO HB2 H 2.243 0.030 2 1254 116 116 PRO HB3 H 1.825 0.030 2 1255 116 116 PRO HD2 H 3.666 0.030 2 1256 116 116 PRO HD3 H 3.792 0.030 2 1257 116 116 PRO HG2 H 1.981 0.030 1 1258 116 116 PRO HG3 H 1.981 0.030 1 1259 116 116 PRO CA C 62.963 0.300 1 1260 116 116 PRO CB C 32.138 0.300 1 1261 116 116 PRO CD C 50.745 0.300 1 1262 116 116 PRO CG C 27.406 0.300 1 1263 117 117 VAL H H 8.220 0.030 1 1264 117 117 VAL HA H 4.017 0.030 1 1265 117 117 VAL HB H 1.990 0.030 1 1266 117 117 VAL HG1 H 0.880 0.030 1 1267 117 117 VAL HG2 H 0.943 0.030 1 1268 117 117 VAL C C 175.944 0.300 1 1269 117 117 VAL CA C 62.485 0.300 1 1270 117 117 VAL CB C 32.651 0.300 1 1271 117 117 VAL CG1 C 20.988 0.300 2 1272 117 117 VAL CG2 C 20.988 0.300 2 1273 117 117 VAL N N 121.047 0.300 1 1274 118 118 ILE H H 8.263 0.030 1 1275 118 118 ILE HA H 4.164 0.030 1 1276 118 118 ILE HB H 1.792 0.030 1 1277 118 118 ILE HD1 H 0.812 0.030 1 1278 118 118 ILE HG12 H 1.438 0.030 2 1279 118 118 ILE HG13 H 1.134 0.030 2 1280 118 118 ILE HG2 H 0.817 0.030 1 1281 118 118 ILE C C 175.887 0.300 1 1282 118 118 ILE CA C 60.664 0.300 1 1283 118 118 ILE CB C 38.613 0.300 1 1284 118 118 ILE CD1 C 12.598 0.300 1 1285 118 118 ILE CG1 C 27.153 0.300 1 1286 118 118 ILE CG2 C 17.442 0.300 1 1287 118 118 ILE N N 125.965 0.300 1 1288 119 119 ILE H H 8.381 0.030 1 1289 119 119 ILE HA H 4.242 0.030 1 1290 119 119 ILE HB H 1.850 0.030 1 1291 119 119 ILE HD1 H 0.811 0.030 1 1292 119 119 ILE HG12 H 1.449 0.030 2 1293 119 119 ILE HG13 H 1.182 0.030 2 1294 119 119 ILE HG2 H 0.882 0.030 1 1295 119 119 ILE C C 176.374 0.300 1 1296 119 119 ILE CA C 60.714 0.300 1 1297 119 119 ILE CB C 38.522 0.300 1 1298 119 119 ILE CD1 C 12.521 0.300 1 1299 119 119 ILE CG1 C 27.207 0.300 1 1300 119 119 ILE CG2 C 17.634 0.300 1 1301 119 119 ILE N N 126.679 0.300 1 1302 120 120 THR H H 8.304 0.030 1 1303 120 120 THR HA H 4.417 0.030 1 1304 120 120 THR HB H 4.245 0.030 1 1305 120 120 THR HG2 H 1.178 0.030 1 1306 120 120 THR C C 174.492 0.300 1 1307 120 120 THR CA C 61.479 0.300 1 1308 120 120 THR CB C 69.876 0.300 1 1309 120 120 THR CG2 C 21.481 0.300 1 1310 120 120 THR N N 118.911 0.300 1 1311 121 121 SER H H 8.370 0.030 1 1312 121 121 SER C C 174.986 0.300 1 1313 121 121 SER CA C 58.145 0.300 1 1314 121 121 SER CB C 63.981 0.300 1 1315 121 121 SER N N 118.168 0.300 1 1316 133 133 SER HA H 4.219 0.030 1 1317 133 133 SER HB2 H 3.841 0.030 2 1318 133 133 SER HB3 H 3.944 0.030 2 1319 133 133 SER CA C 60.100 0.300 1 1320 133 133 SER CB C 63.527 0.300 1 1321 134 134 GLY H H 8.242 0.030 1 1322 134 134 GLY HA2 H 3.894 0.030 2 1323 134 134 GLY HA3 H 4.023 0.030 2 1324 134 134 GLY C C 174.423 0.300 1 1325 134 134 GLY CA C 45.292 0.300 1 1326 134 134 GLY N N 108.296 0.300 1 1327 135 135 LEU H H 7.671 0.030 1 1328 135 135 LEU HA H 4.398 0.030 1 1329 135 135 LEU HB2 H 1.952 0.030 2 1330 135 135 LEU HB3 H 1.456 0.030 2 1331 135 135 LEU HD1 H 0.977 0.030 1 1332 135 135 LEU HD2 H 0.986 0.030 1 1333 135 135 LEU HG H 1.738 0.030 1 1334 135 135 LEU C C 176.262 0.300 1 1335 135 135 LEU CA C 54.363 0.300 1 1336 135 135 LEU CB C 43.963 0.300 1 1337 135 135 LEU CD1 C 26.825 0.300 2 1338 135 135 LEU CD2 C 23.151 0.300 2 1339 135 135 LEU CG C 27.092 0.300 1 1340 135 135 LEU N N 120.371 0.300 1 1341 136 136 PHE H H 8.678 0.030 1 1342 136 136 PHE HA H 4.316 0.030 1 1343 136 136 PHE HB2 H 2.920 0.030 2 1344 136 136 PHE HB3 H 2.791 0.030 2 1345 136 136 PHE HD1 H 7.078 0.030 1 1346 136 136 PHE HD2 H 7.078 0.030 1 1347 136 136 PHE HE1 H 7.452 0.030 1 1348 136 136 PHE HE2 H 7.452 0.030 1 1349 136 136 PHE HZ H 7.442 0.030 1 1350 136 136 PHE C C 174.743 0.300 1 1351 136 136 PHE CA C 58.676 0.300 1 1352 136 136 PHE CB C 41.004 0.300 1 1353 136 136 PHE CD1 C 132.071 0.300 1 1354 136 136 PHE CD2 C 132.071 0.300 1 1355 136 136 PHE CE1 C 132.024 0.300 1 1356 136 136 PHE CE2 C 132.024 0.300 1 1357 136 136 PHE CZ C 130.607 0.300 1 1358 136 136 PHE N N 125.944 0.300 1 1359 137 137 ARG H H 7.779 0.030 1 1360 137 137 ARG HA H 4.322 0.030 1 1361 137 137 ARG HB2 H 1.404 0.030 2 1362 137 137 ARG HB3 H 1.726 0.030 2 1363 137 137 ARG HD2 H 3.182 0.030 2 1364 137 137 ARG HD3 H 3.124 0.030 2 1365 137 137 ARG HG2 H 1.427 0.030 2 1366 137 137 ARG HG3 H 1.242 0.030 2 1367 137 137 ARG C C 175.189 0.300 1 1368 137 137 ARG CA C 55.083 0.300 1 1369 137 137 ARG CB C 30.365 0.300 1 1370 137 137 ARG CD C 43.594 0.300 1 1371 137 137 ARG CG C 28.344 0.300 1 1372 137 137 ARG N N 128.711 0.300 1 1373 138 138 LEU H H 8.626 0.030 1 1374 138 138 LEU HA H 4.446 0.030 1 1375 138 138 LEU HB2 H 1.610 0.030 2 1376 138 138 LEU HB3 H 1.204 0.030 2 1377 138 138 LEU HD1 H 0.664 0.030 1 1378 138 138 LEU HD2 H 0.738 0.030 1 1379 138 138 LEU HG H 1.742 0.030 1 1380 138 138 LEU C C 177.880 0.300 1 1381 138 138 LEU CA C 54.746 0.300 1 1382 138 138 LEU CB C 43.101 0.300 1 1383 138 138 LEU CD1 C 27.027 0.300 2 1384 138 138 LEU CD2 C 23.362 0.300 2 1385 138 138 LEU CG C 27.192 0.300 1 1386 138 138 LEU N N 124.097 0.300 1 1387 139 139 ARG H H 9.554 0.030 1 1388 139 139 ARG HA H 4.070 0.030 1 1389 139 139 ARG HB2 H 1.686 0.030 2 1390 139 139 ARG HB3 H 1.544 0.030 2 1391 139 139 ARG HD2 H 3.110 0.030 1 1392 139 139 ARG HD3 H 3.110 0.030 1 1393 139 139 ARG HG2 H 1.540 0.030 2 1394 139 139 ARG HG3 H 1.394 0.030 2 1395 139 139 ARG C C 176.462 0.300 1 1396 139 139 ARG CA C 57.405 0.300 1 1397 139 139 ARG CB C 31.015 0.300 1 1398 139 139 ARG CD C 43.348 0.300 1 1399 139 139 ARG CG C 27.562 0.300 1 1400 139 139 ARG N N 119.411 0.300 1 1401 140 140 HIS H H 7.591 0.030 1 1402 140 140 HIS HA H 4.722 0.030 1 1403 140 140 HIS HB2 H 2.825 0.030 2 1404 140 140 HIS HB3 H 2.941 0.030 2 1405 140 140 HIS HD2 H 6.896 0.030 1 1406 140 140 HIS HE1 H 7.819 0.030 1 1407 140 140 HIS C C 173.169 0.300 1 1408 140 140 HIS CA C 53.541 0.300 1 1409 140 140 HIS CB C 32.990 0.300 1 1410 140 140 HIS CD2 C 120.467 0.300 1 1411 140 140 HIS CE1 C 138.012 0.300 1 1412 140 140 HIS N N 115.668 0.300 1 1413 141 141 PHE HA H 4.285 0.030 1 1414 141 141 PHE HB2 H 2.802 0.030 2 1415 141 141 PHE HB3 H 3.053 0.030 2 1416 141 141 PHE HD1 H 7.056 0.030 1 1417 141 141 PHE HD2 H 7.056 0.030 1 1418 141 141 PHE HE1 H 6.878 0.030 1 1419 141 141 PHE HE2 H 6.878 0.030 1 1420 141 141 PHE HZ H 6.649 0.030 1 1421 141 141 PHE CA C 56.622 0.300 1 1422 141 141 PHE CB C 39.811 0.300 1 1423 141 141 PHE CD1 C 131.457 0.300 1 1424 141 141 PHE CD2 C 131.457 0.300 1 1425 141 141 PHE CE1 C 131.354 0.300 1 1426 141 141 PHE CE2 C 131.354 0.300 1 1427 141 141 PHE CZ C 128.042 0.300 1 1428 142 142 PRO HA H 4.359 0.030 1 1429 142 142 PRO HB2 H 1.766 0.030 2 1430 142 142 PRO HB3 H 1.718 0.030 2 1431 142 142 PRO HD2 H 3.521 0.030 2 1432 142 142 PRO HD3 H 2.263 0.030 2 1433 142 142 PRO HG2 H 1.383 0.030 2 1434 142 142 PRO HG3 H 1.493 0.030 2 1435 142 142 PRO C C 175.706 0.300 1 1436 142 142 PRO CA C 64.682 0.300 1 1437 142 142 PRO CB C 32.086 0.300 1 1438 142 142 PRO CD C 49.886 0.300 1 1439 142 142 PRO CG C 26.512 0.300 1 1440 143 143 CYS H H 5.827 0.030 1 1441 143 143 CYS HA H 4.568 0.030 1 1442 143 143 CYS HB2 H 2.763 0.030 2 1443 143 143 CYS HB3 H 2.138 0.030 2 1444 143 143 CYS C C 174.100 0.300 1 1445 143 143 CYS CA C 57.898 0.300 1 1446 143 143 CYS CB C 31.264 0.300 1 1447 143 143 CYS N N 115.459 0.300 1 1448 144 144 GLY H H 9.018 0.030 1 1449 144 144 GLY HA2 H 3.655 0.030 2 1450 144 144 GLY HA3 H 3.984 0.030 2 1451 144 144 GLY C C 173.414 0.300 1 1452 144 144 GLY CA C 45.134 0.300 1 1453 144 144 GLY N N 109.477 0.300 1 1454 145 145 ASN H H 7.120 0.030 1 1455 145 145 ASN HA H 4.642 0.030 1 1456 145 145 ASN HB2 H 2.102 0.030 2 1457 145 145 ASN HB3 H 2.343 0.030 2 1458 145 145 ASN HD21 H 6.169 0.030 2 1459 145 145 ASN HD22 H 6.704 0.030 2 1460 145 145 ASN C C 173.102 0.300 1 1461 145 145 ASN CA C 52.698 0.300 1 1462 145 145 ASN CB C 38.924 0.300 1 1463 145 145 ASN N N 118.012 0.300 1 1464 145 145 ASN ND2 N 115.768 0.300 1 1465 146 146 VAL H H 8.090 0.030 1 1466 146 146 VAL HA H 4.701 0.030 1 1467 146 146 VAL HB H 1.677 0.030 1 1468 146 146 VAL HG1 H 0.370 0.030 1 1469 146 146 VAL HG2 H 0.444 0.030 1 1470 146 146 VAL C C 174.087 0.300 1 1471 146 146 VAL CA C 60.876 0.300 1 1472 146 146 VAL CB C 34.963 0.300 1 1473 146 146 VAL CG1 C 20.442 0.300 2 1474 146 146 VAL CG2 C 22.407 0.300 2 1475 146 146 VAL N N 119.708 0.300 1 1476 147 147 ASN H H 8.685 0.030 1 1477 147 147 ASN HA H 4.822 0.030 1 1478 147 147 ASN HB2 H 1.647 0.030 2 1479 147 147 ASN HB3 H 2.237 0.030 2 1480 147 147 ASN HD21 H 6.914 0.030 2 1481 147 147 ASN HD22 H 7.099 0.030 2 1482 147 147 ASN C C 173.745 0.300 1 1483 147 147 ASN CA C 50.335 0.300 1 1484 147 147 ASN CB C 41.353 0.300 1 1485 147 147 ASN N N 124.540 0.300 1 1486 147 147 ASN ND2 N 110.477 0.300 1 1487 148 148 TYR H H 8.575 0.030 1 1488 148 148 TYR HA H 4.547 0.030 1 1489 148 148 TYR HB2 H 3.042 0.030 2 1490 148 148 TYR HB3 H 2.754 0.030 2 1491 148 148 TYR HD1 H 7.116 0.030 1 1492 148 148 TYR HD2 H 7.116 0.030 1 1493 148 148 TYR HE1 H 6.649 0.030 1 1494 148 148 TYR HE2 H 6.649 0.030 1 1495 148 148 TYR C C 176.287 0.300 1 1496 148 148 TYR CA C 58.309 0.300 1 1497 148 148 TYR CB C 40.065 0.300 1 1498 148 148 TYR CD1 C 133.097 0.300 1 1499 148 148 TYR CD2 C 133.097 0.300 1 1500 148 148 TYR CE1 C 117.783 0.300 1 1501 148 148 TYR CE2 C 117.783 0.300 1 1502 148 148 TYR N N 118.412 0.300 1 1503 149 149 GLY H H 7.912 0.030 1 1504 149 149 GLY HA2 H 3.723 0.030 2 1505 149 149 GLY HA3 H 4.183 0.030 2 1506 149 149 GLY C C 173.215 0.300 1 1507 149 149 GLY CA C 44.169 0.300 1 1508 149 149 GLY N N 108.415 0.300 1 1509 150 150 TYR H H 8.563 0.030 1 1510 150 150 TYR HA H 4.582 0.030 1 1511 150 150 TYR HB2 H 2.877 0.030 2 1512 150 150 TYR HB3 H 3.143 0.030 2 1513 150 150 TYR HD1 H 7.223 0.030 1 1514 150 150 TYR HD2 H 7.223 0.030 1 1515 150 150 TYR HE1 H 6.807 0.030 1 1516 150 150 TYR HE2 H 6.807 0.030 1 1517 150 150 TYR C C 176.337 0.300 1 1518 150 150 TYR CA C 58.062 0.300 1 1519 150 150 TYR CB C 38.946 0.300 1 1520 150 150 TYR CD1 C 133.545 0.300 1 1521 150 150 TYR CD2 C 133.545 0.300 1 1522 150 150 TYR CE1 C 118.221 0.300 1 1523 150 150 TYR CE2 C 118.221 0.300 1 1524 150 150 TYR N N 122.429 0.300 1 1525 151 151 GLN H H 8.592 0.030 1 1526 151 151 GLN HA H 4.349 0.030 1 1527 151 151 GLN HB2 H 2.148 0.030 2 1528 151 151 GLN HB3 H 2.011 0.030 2 1529 151 151 GLN HE21 H 7.532 0.030 2 1530 151 151 GLN HE22 H 6.882 0.030 2 1531 151 151 GLN HG2 H 2.354 0.030 1 1532 151 151 GLN HG3 H 2.354 0.030 1 1533 151 151 GLN C C 175.730 0.300 1 1534 151 151 GLN CA C 56.054 0.300 1 1535 151 151 GLN CB C 29.476 0.300 1 1536 151 151 GLN CG C 34.141 0.300 1 1537 151 151 GLN N N 121.410 0.300 1 1538 151 151 GLN NE2 N 112.801 0.300 1 1539 152 152 GLN H H 8.460 0.030 1 1540 152 152 GLN HA H 4.388 0.030 1 1541 152 152 GLN HB2 H 2.215 0.030 2 1542 152 152 GLN HB3 H 2.012 0.030 2 1543 152 152 GLN HE21 H 7.536 0.030 2 1544 152 152 GLN HE22 H 6.883 0.030 2 1545 152 152 GLN HG2 H 2.376 0.030 1 1546 152 152 GLN HG3 H 2.376 0.030 1 1547 152 152 GLN C C 175.001 0.300 1 1548 152 152 GLN CA C 55.700 0.300 1 1549 152 152 GLN CB C 29.514 0.300 1 1550 152 152 GLN CG C 33.812 0.300 1 1551 152 152 GLN N N 121.812 0.300 1 1552 152 152 GLN NE2 N 112.801 0.300 1 1553 153 153 GLN H H 8.082 0.030 1 1554 153 153 GLN HA H 4.182 0.030 1 1555 153 153 GLN HB2 H 1.966 0.030 2 1556 153 153 GLN HB3 H 2.132 0.030 2 1557 153 153 GLN HE21 H 6.782 0.030 2 1558 153 153 GLN HE22 H 7.550 0.030 2 1559 153 153 GLN HG2 H 2.302 0.030 1 1560 153 153 GLN HG3 H 2.302 0.030 1 1561 153 153 GLN C C 180.509 0.300 1 1562 153 153 GLN CA C 57.316 0.300 1 1563 153 153 GLN CB C 30.242 0.300 1 1564 153 153 GLN CG C 34.117 0.300 1 1565 153 153 GLN N N 126.492 0.300 1 1566 153 153 GLN NE2 N 112.405 0.300 1 stop_ save_