data_19792 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the RRM domain of RBMX from homo sapiens ; _BMRB_accession_number 19792 _BMRB_flat_file_name bmr19792.str _Entry_type original _Submission_date 2014-02-14 _Accession_date 2014-02-14 _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 Serrano Pedro . . 2 Geralt Michael . . 3 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 491 "13C chemical shifts" 366 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-10 original author . stop_ _Original_release_date 2014-03-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the first RRM domain of the protein RBM39 from homo sapiens' _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 Serrano Pedro . . 2 Wuthrich Kurt . . 3 Geralt Michael . . 4 Dutta Samit K. . stop_ _Journal_abbreviation 'Not known' _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 RBMX _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RBMX $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 10093.535 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; GHMVEADRPGKLFIGGLNTE TNEKALEAVFGKYGRIVEVL LMKDRETNKSRGFAFVTFES PADAKDAARDMNGKSLDGKA IKVEQATKPSFE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 VAL 5 GLU 6 ALA 7 ASP 8 ARG 9 PRO 10 GLY 11 LYS 12 LEU 13 PHE 14 ILE 15 GLY 16 GLY 17 LEU 18 ASN 19 THR 20 GLU 21 THR 22 ASN 23 GLU 24 LYS 25 ALA 26 LEU 27 GLU 28 ALA 29 VAL 30 PHE 31 GLY 32 LYS 33 TYR 34 GLY 35 ARG 36 ILE 37 VAL 38 GLU 39 VAL 40 LEU 41 LEU 42 MET 43 LYS 44 ASP 45 ARG 46 GLU 47 THR 48 ASN 49 LYS 50 SER 51 ARG 52 GLY 53 PHE 54 ALA 55 PHE 56 VAL 57 THR 58 PHE 59 GLU 60 SER 61 PRO 62 ALA 63 ASP 64 ALA 65 LYS 66 ASP 67 ALA 68 ALA 69 ARG 70 ASP 71 MET 72 ASN 73 GLY 74 LYS 75 SER 76 LEU 77 ASP 78 GLY 79 LYS 80 ALA 81 ILE 82 LYS 83 VAL 84 GLU 85 GLN 86 ALA 87 THR 88 LYS 89 PRO 90 SER 91 PHE 92 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 19382 hnRNP_G_RRM 97.83 95 100.00 100.00 2.50e-56 PDB 2MB0 "Solution Structure Of Hnrnp G Rrm In Complex With The Rna 5'-aucaaa-3'" 97.83 95 100.00 100.00 2.50e-56 PDB 2MKS "Nmr Structure Of The Rrm Domain Of Rbmx From Homo Sapiens" 100.00 92 100.00 100.00 1.35e-58 DBJ BAC31099 "unnamed protein product [Mus musculus]" 97.83 388 98.89 100.00 3.50e-48 DBJ BAE00972 "unnamed protein product [Macaca fascicularis]" 97.83 391 100.00 100.00 2.98e-48 DBJ BAE22448 "unnamed protein product [Mus musculus]" 97.83 391 100.00 100.00 3.60e-48 DBJ BAE37998 "unnamed protein product [Mus musculus]" 97.83 289 100.00 100.00 1.86e-55 DBJ BAF62396 "RNA binding motif protein, X-linked [Pan troglodytes verus]" 97.83 391 100.00 100.00 3.60e-48 EMBL CAA80599 "hnRNP G protein [Homo sapiens]" 97.83 391 100.00 100.00 4.54e-48 EMBL CAB51361 "heterogeneous nuclear ribonucleoprotein G [Mus musculus]" 97.83 289 100.00 100.00 1.86e-55 EMBL CAB51362 "heterogeneous nuclear ribonucleoprotein G [Mus musculus]" 97.83 391 100.00 100.00 3.60e-48 EMBL CAG31684 "hypothetical protein RCJMB04_9j22 [Gallus gallus]" 97.83 385 100.00 100.00 5.71e-48 EMBL CAI46148 "hypothetical protein [Homo sapiens]" 97.83 390 97.78 98.89 2.55e-47 GB AAH03710 "RNA binding motif protein, X chromosome [Mus musculus]" 97.83 391 100.00 100.00 3.60e-48 GB AAH06550 "RNA binding motif protein, X-linked [Homo sapiens]" 97.83 391 100.00 100.00 3.60e-48 GB AAH07435 "RNA binding motif protein, X-linked [Homo sapiens]" 97.83 391 100.00 100.00 3.60e-48 GB AAH11441 "Rbmxrt protein [Mus musculus]" 97.83 388 98.89 100.00 3.50e-48 GB AAH12942 "Cysteine conjugate-beta lyase 2 [Homo sapiens]" 97.83 390 97.78 98.89 2.55e-47 PIR S41766 "heterogeneous nuclear ribonucleoprotein G - human" 97.83 437 100.00 100.00 5.01e-54 REF NP_001020834 "RNA-binding motif protein, X chromosome [Rattus norvegicus]" 97.83 390 100.00 100.00 2.92e-48 REF NP_001073196 "heterogeneous nuclear ribonucleoprotein G [Gallus gallus]" 97.83 385 100.00 100.00 5.71e-48 REF NP_001100890 "RNA-binding motif protein, X chromosome retrogene-like [Rattus norvegicus]" 97.83 388 97.78 98.89 1.13e-47 REF NP_001128678 "RNA-binding motif protein, X chromosome [Pan troglodytes]" 97.83 391 100.00 100.00 3.60e-48 REF NP_001156008 "RNA binding motif protein, X-linked-like-1 [Homo sapiens]" 97.83 390 97.78 98.89 2.55e-47 SP A5A6M3 "RecName: Full=RNA-binding motif protein, X chromosome; AltName: Full=Heterogeneous nuclear ribonucleoprotein G; Short=hnRNP G; " 97.83 391 100.00 100.00 3.60e-48 SP D4AE41 "RecName: Full=RNA binding motif protein, X-linked-like-1; AltName: Full=Heterogeneous nuclear ribonucleoprotein G-like 1; Conta" 97.83 388 97.78 98.89 5.46e-48 SP P38159 "RecName: Full=RNA-binding motif protein, X chromosome; AltName: Full=Glycoprotein p43; AltName: Full=Heterogeneous nuclear ribo" 97.83 391 100.00 100.00 3.60e-48 SP P84586 "RecName: Full=RNA-binding motif protein, X chromosome retrogene-like; AltName: Full=Heterogeneous nuclear ribonucleoprotein G r" 97.83 388 97.78 98.89 1.13e-47 SP Q4R7F0 "RecName: Full=RNA-binding motif protein, X chromosome; AltName: Full=Heterogeneous nuclear ribonucleoprotein G; Short=hnRNP G; " 97.83 391 100.00 100.00 2.98e-48 TPG DAA13328 "TPA: RNA binding motif protein, X-linked isoform 1 [Bos taurus]" 97.83 391 100.00 100.00 2.85e-48 TPG DAA13329 "TPA: RNA binding motif protein, X-linked isoform 2 [Bos taurus]" 55.43 352 100.00 100.00 3.54e-22 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 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 _Variant _Vector_name $entity 'recombinant technology' . Escherichia coli BL21 DE3 pSpeedET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.2 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 100 mM 'natural abundance' 'sodium acetate' 10 mM '[U-99% 2H]' 'sodium azide' 5 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CAra _Saveframe_category software _Name CAra _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version . loop_ _Vendor _Address _Electronic_address 'UNIO Herrmann and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Avance601 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_Avance800 _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_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_4D_APSY_HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY HACANH' _Sample_label $sample_1 save_ save_5D_APSY_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY CBCACONH' _Sample_label $sample_1 save_ save_5D_APSY_HACACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY HACACONH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.220 . M pH 5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' '4D APSY HACANH' '5D APSY CBCACONH' '5D APSY HACACONH' 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 RBMX _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 2 2 HIS HA H 4.596 0.000 . 2 2 2 HIS HD2 H 7.022 0.000 . 3 2 2 HIS HE1 H 8.070 0.000 . 4 2 2 HIS C C 171.930 0.000 . 5 2 2 HIS CA C 52.879 0.000 . 6 2 2 HIS CB C 27.693 0.000 . 7 2 2 HIS CD2 C 117.060 0.000 . 8 2 2 HIS CE1 C 134.777 0.000 . 9 3 3 MET H H 8.407 0.000 . 10 3 3 MET HA H 4.365 0.000 . 11 3 3 MET HB2 H 1.859 0.000 . 12 3 3 MET HE H 1.959 0.000 . 13 3 3 MET C C 173.051 0.000 . 14 3 3 MET CA C 52.457 0.000 . 15 3 3 MET CB C 30.267 0.000 . 16 3 3 MET CE C 14.238 0.000 . 17 3 3 MET N N 122.778 0.000 . 18 4 4 VAL H H 8.170 0.000 . 19 4 4 VAL HA H 3.992 0.000 . 20 4 4 VAL HB H 1.924 0.000 . 21 4 4 VAL HG1 H 0.791 0.000 . 22 4 4 VAL C C 173.161 0.000 . 23 4 4 VAL CA C 59.189 0.000 . 24 4 4 VAL CB C 30.313 0.000 . 25 4 4 VAL CG1 C 18.231 0.000 . 26 4 4 VAL N N 121.985 0.000 . 27 5 5 GLU H H 8.469 0.000 . 28 5 5 GLU HA H 4.162 0.000 . 29 5 5 GLU HB2 H 1.791 0.000 . 30 5 5 GLU HB3 H 1.892 0.000 . 31 5 5 GLU HG2 H 2.140 0.000 . 32 5 5 GLU C C 173.208 0.000 . 33 5 5 GLU CA C 53.271 0.000 . 34 5 5 GLU CB C 27.861 0.000 . 35 5 5 GLU CG C 33.661 0.000 . 36 5 5 GLU N N 124.990 0.000 . 37 6 6 ALA H H 8.229 0.000 . 38 6 6 ALA HA H 4.135 0.000 . 39 6 6 ALA HB H 1.252 0.000 . 40 6 6 ALA C C 174.516 0.000 . 41 6 6 ALA CA C 49.571 0.000 . 42 6 6 ALA CB C 16.604 0.000 . 43 6 6 ALA N N 124.750 0.000 . 44 7 7 ASP H H 8.172 0.000 . 45 7 7 ASP HA H 4.430 0.000 . 46 7 7 ASP HB2 H 2.487 0.000 . 47 7 7 ASP HB3 H 2.435 0.000 . 48 7 7 ASP C C 173.005 0.000 . 49 7 7 ASP CA C 51.032 0.000 . 50 7 7 ASP CB C 38.658 0.000 . 51 7 7 ASP N N 119.477 0.000 . 52 8 8 ARG H H 8.168 0.000 . 53 8 8 ARG HA H 4.103 0.000 . 54 8 8 ARG HB2 H 1.728 0.000 . 55 8 8 ARG HB3 H 1.728 0.000 . 56 8 8 ARG HG2 H 1.594 0.000 . 57 8 8 ARG HG3 H 1.594 0.000 . 58 8 8 ARG HD2 H 3.139 0.000 . 59 8 8 ARG HD3 H 3.139 0.000 . 60 8 8 ARG CA C 54.708 0.000 . 61 8 8 ARG CB C 27.813 0.000 . 62 8 8 ARG CG C 25.060 0.000 . 63 8 8 ARG CD C 40.508 0.000 . 64 8 8 ARG N N 121.454 0.000 . 65 9 9 PRO HA H 4.413 0.000 . 66 9 9 PRO HB2 H 2.252 0.000 . 67 9 9 PRO HG2 H 1.785 0.000 . 68 9 9 PRO HG3 H 1.785 0.000 . 69 9 9 PRO HD2 H 3.698 0.000 . 70 9 9 PRO HD3 H 3.565 0.000 . 71 9 9 PRO C C 174.662 0.000 . 72 9 9 PRO CA C 60.806 0.000 . 73 9 9 PRO CB C 29.471 0.000 . 74 9 9 PRO CG C 29.316 0.000 . 75 9 9 PRO CD C 47.671 0.000 . 76 10 10 GLY H H 8.769 0.000 . 77 10 10 GLY HA2 H 3.849 0.000 . 78 10 10 GLY HA3 H 3.849 0.000 . 79 10 10 GLY C C 169.715 0.000 . 80 10 10 GLY CA C 42.529 0.000 . 81 10 10 GLY N N 108.287 0.000 . 82 11 11 LYS H H 7.753 0.000 . 83 11 11 LYS HA H 4.864 0.000 . 84 11 11 LYS HB2 H 1.923 0.000 . 85 11 11 LYS HB3 H 1.490 0.000 . 86 11 11 LYS HG3 H 1.348 0.000 . 87 11 11 LYS HD2 H 1.348 0.000 . 88 11 11 LYS C C 172.419 0.000 . 89 11 11 LYS CA C 53.417 0.000 . 90 11 11 LYS CB C 32.058 0.000 . 91 11 11 LYS CD C 27.105 0.000 . 92 11 11 LYS N N 122.177 0.000 . 93 12 12 LEU H H 9.465 0.000 . 94 12 12 LEU HA H 4.939 0.000 . 95 12 12 LEU HB2 H 1.705 0.000 . 96 12 12 LEU HB3 H 1.140 0.000 . 97 12 12 LEU HG H 1.771 0.000 . 98 12 12 LEU HD1 H 0.827 0.000 . 99 12 12 LEU HD2 H 0.659 0.000 . 100 12 12 LEU C C 173.185 0.000 . 101 12 12 LEU CA C 50.301 0.000 . 102 12 12 LEU CB C 42.075 0.000 . 103 12 12 LEU CG C 23.715 0.000 . 104 12 12 LEU CD1 C 23.867 0.000 . 105 12 12 LEU CD2 C 20.174 0.000 . 106 12 12 LEU N N 127.116 0.000 . 107 13 13 PHE H H 9.213 0.000 . 108 13 13 PHE HA H 4.712 0.000 . 109 13 13 PHE HB2 H 2.974 0.000 . 110 13 13 PHE HB3 H 2.753 0.000 . 111 13 13 PHE HD1 H 6.781 0.000 . 112 13 13 PHE HD2 H 6.781 0.000 . 113 13 13 PHE HE1 H 7.423 0.000 . 114 13 13 PHE HE2 H 7.423 0.000 . 115 13 13 PHE C C 170.330 0.000 . 116 13 13 PHE CA C 54.041 0.000 . 117 13 13 PHE CB C 38.520 0.000 . 118 13 13 PHE CD1 C 129.133 0.000 . 119 13 13 PHE CD2 C 129.133 0.000 . 120 13 13 PHE CE2 C 128.738 0.000 . 121 13 13 PHE N N 122.922 0.000 . 122 14 14 ILE H H 8.304 0.000 . 123 14 14 ILE HA H 4.815 0.000 . 124 14 14 ILE HB H 1.334 0.000 . 125 14 14 ILE HG12 H 0.846 0.000 . 126 14 14 ILE HG13 H 0.968 0.000 . 127 14 14 ILE HG2 H 0.665 0.000 . 128 14 14 ILE HD1 H 0.125 0.000 . 129 14 14 ILE C C 171.441 0.000 . 130 14 14 ILE CA C 55.411 0.000 . 131 14 14 ILE CB C 36.448 0.000 . 132 14 14 ILE CG1 C 25.697 0.000 . 133 14 14 ILE CG2 C 16.915 0.000 . 134 14 14 ILE CD1 C 12.097 0.000 . 135 14 14 ILE N N 128.128 0.000 . 136 15 15 GLY H H 8.965 0.000 . 137 15 15 GLY HA2 H 3.540 0.000 . 138 15 15 GLY HA3 H 4.640 0.000 . 139 15 15 GLY C C 170.863 0.000 . 140 15 15 GLY CA C 40.913 0.000 . 141 15 15 GLY N N 110.945 0.000 . 142 16 16 GLY H H 7.865 0.000 . 143 16 16 GLY HA2 H 4.069 0.000 . 144 16 16 GLY HA3 H 3.591 0.000 . 145 16 16 GLY C C 172.134 0.000 . 146 16 16 GLY CA C 42.862 0.000 . 147 16 16 GLY N N 107.025 0.000 . 148 17 17 LEU H H 7.521 0.000 . 149 17 17 LEU HA H 3.912 0.000 . 150 17 17 LEU HB2 H 1.251 0.000 . 151 17 17 LEU HB3 H 0.947 0.000 . 152 17 17 LEU HG H 1.117 0.000 . 153 17 17 LEU HD1 H 0.315 0.000 . 154 17 17 LEU HD2 H 0.731 0.000 . 155 17 17 LEU C C 176.024 0.000 . 156 17 17 LEU CA C 51.583 0.000 . 157 17 17 LEU CB C 40.169 0.000 . 158 17 17 LEU CG C 24.163 0.000 . 159 17 17 LEU CD1 C 23.817 0.000 . 160 17 17 LEU CD2 C 21.844 0.000 . 161 17 17 LEU N N 115.104 0.000 . 162 18 18 ASN H H 9.528 0.000 . 163 18 18 ASN HA H 4.386 0.000 . 164 18 18 ASN HB2 H 2.482 0.000 . 165 18 18 ASN HB3 H 3.396 0.000 . 166 18 18 ASN HD21 H 7.068 0.000 . 167 18 18 ASN HD22 H 8.089 0.000 . 168 18 18 ASN C C 176.199 0.000 . 169 18 18 ASN CA C 50.302 0.000 . 170 18 18 ASN CB C 35.692 0.000 . 171 18 18 ASN N N 120.666 0.000 . 172 18 18 ASN ND2 N 113.698 0.000 . 173 19 19 THR H H 8.809 0.000 . 174 19 19 THR HA H 3.699 0.000 . 175 19 19 THR HB H 4.279 0.000 . 176 19 19 THR HG2 H 1.155 0.000 . 177 19 19 THR C C 172.195 0.000 . 178 19 19 THR CA C 62.512 0.000 . 179 19 19 THR CB C 65.438 0.000 . 180 19 19 THR CG2 C 19.365 0.000 . 181 19 19 THR N N 123.230 0.000 . 182 20 20 GLU H H 8.703 0.000 . 183 20 20 GLU HA H 4.176 0.000 . 184 20 20 GLU HB2 H 2.046 0.000 . 185 20 20 GLU HB3 H 1.595 0.000 . 186 20 20 GLU HG2 H 1.972 0.000 . 187 20 20 GLU C C 174.826 0.000 . 188 20 20 GLU CA C 53.181 0.000 . 189 20 20 GLU CB C 27.076 0.000 . 190 20 20 GLU CG C 29.199 0.000 . 191 20 20 GLU N N 118.055 0.000 . 192 21 21 THR H H 7.514 0.000 . 193 21 21 THR HA H 3.930 0.000 . 194 21 21 THR HB H 3.810 0.000 . 195 21 21 THR HG2 H 1.134 0.000 . 196 21 21 THR C C 171.688 0.000 . 197 21 21 THR CA C 61.882 0.000 . 198 21 21 THR CB C 65.397 0.000 . 199 21 21 THR CG2 C 19.971 0.000 . 200 21 21 THR N N 119.209 0.000 . 201 22 22 ASN H H 8.031 0.000 . 202 22 22 ASN HA H 4.769 0.000 . 203 22 22 ASN HB2 H 2.782 0.000 . 204 22 22 ASN HB3 H 3.211 0.000 . 205 22 22 ASN HD21 H 6.678 0.000 . 206 22 22 ASN HD22 H 7.670 0.000 . 207 22 22 ASN C C 172.032 0.000 . 208 22 22 ASN CA C 47.706 0.000 . 209 22 22 ASN CB C 37.373 0.000 . 210 22 22 ASN N N 126.624 0.000 . 211 22 22 ASN ND2 N 111.427 0.000 . 212 23 23 GLU H H 10.151 0.000 . 213 23 23 GLU HA H 3.567 0.000 . 214 23 23 GLU HB2 H 1.967 0.000 . 215 23 23 GLU HB3 H 1.860 0.000 . 216 23 23 GLU HG2 H 2.535 0.000 . 217 23 23 GLU HG3 H 1.977 0.000 . 218 23 23 GLU CA C 58.784 0.000 . 219 23 23 GLU CB C 25.862 0.000 . 220 23 23 GLU CG C 35.055 0.000 . 221 23 23 GLU N N 118.056 0.000 . 222 24 24 LYS H H 7.839 0.000 . 223 24 24 LYS HA H 4.005 0.000 . 224 24 24 LYS HB2 H 1.932 0.000 . 225 24 24 LYS HB3 H 1.790 0.000 . 226 24 24 LYS HG3 H 1.733 0.000 . 227 24 24 LYS HD2 H 2.020 0.000 . 228 24 24 LYS HD3 H 2.020 0.000 . 229 24 24 LYS C C 176.843 0.000 . 230 24 24 LYS CA C 55.731 0.000 . 231 24 24 LYS CB C 29.371 0.000 . 232 24 24 LYS CG C 28.773 0.000 . 233 24 24 LYS N N 118.897 0.000 . 234 25 25 ALA H H 7.827 0.000 . 235 25 25 ALA HA H 4.169 0.000 . 236 25 25 ALA HB H 1.533 0.000 . 237 25 25 ALA C C 178.048 0.000 . 238 25 25 ALA CA C 51.868 0.000 . 239 25 25 ALA CB C 16.139 0.000 . 240 25 25 ALA N N 123.210 0.000 . 241 26 26 LEU H H 7.652 0.000 . 242 26 26 LEU HA H 4.024 0.000 . 243 26 26 LEU HB2 H 1.958 0.000 . 244 26 26 LEU HB3 H 1.032 0.000 . 245 26 26 LEU HG H 1.599 0.000 . 246 26 26 LEU HD1 H 0.641 0.000 . 247 26 26 LEU HD2 H 0.410 0.000 . 248 26 26 LEU C C 176.375 0.000 . 249 26 26 LEU CA C 54.958 0.000 . 250 26 26 LEU CB C 39.701 0.000 . 251 26 26 LEU CG C 23.818 0.000 . 252 26 26 LEU CD1 C 20.794 0.000 . 253 26 26 LEU CD2 C 22.940 0.000 . 254 26 26 LEU N N 116.466 0.000 . 255 27 27 GLU H H 8.480 0.000 . 256 27 27 GLU HA H 3.591 0.000 . 257 27 27 GLU HB2 H 2.041 0.000 . 258 27 27 GLU HG2 H 2.047 0.000 . 259 27 27 GLU HG3 H 2.189 0.000 . 260 27 27 GLU C C 176.206 0.000 . 261 27 27 GLU CA C 57.072 0.000 . 262 27 27 GLU CB C 27.067 0.000 . 263 27 27 GLU CG C 33.865 0.000 . 264 27 27 GLU N N 119.789 0.000 . 265 28 28 ALA H H 7.837 0.000 . 266 28 28 ALA HA H 4.039 0.000 . 267 28 28 ALA HB H 1.451 0.000 . 268 28 28 ALA C C 177.506 0.000 . 269 28 28 ALA CA C 51.907 0.000 . 270 28 28 ALA CB C 15.407 0.000 . 271 28 28 ALA N N 120.599 0.000 . 272 29 29 VAL H H 7.626 0.000 . 273 29 29 VAL HA H 3.826 0.000 . 274 29 29 VAL HB H 1.921 0.000 . 275 29 29 VAL HG1 H 0.969 0.000 . 276 29 29 VAL HG2 H 0.612 0.000 . 277 29 29 VAL C C 174.998 0.000 . 278 29 29 VAL CA C 61.999 0.000 . 279 29 29 VAL CB C 29.878 0.000 . 280 29 29 VAL CG1 C 19.569 0.000 . 281 29 29 VAL CG2 C 18.168 0.000 . 282 29 29 VAL N N 115.536 0.000 . 283 30 30 PHE H H 8.514 0.000 . 284 30 30 PHE HA H 4.482 0.000 . 285 30 30 PHE HB2 H 2.932 0.000 . 286 30 30 PHE HB3 H 3.221 0.000 . 287 30 30 PHE HD1 H 7.513 0.000 . 288 30 30 PHE HD2 H 7.513 0.000 . 289 30 30 PHE HE1 H 6.868 0.000 . 290 30 30 PHE HE2 H 6.868 0.000 . 291 30 30 PHE HZ H 6.923 0.000 . 292 30 30 PHE C C 174.725 0.000 . 293 30 30 PHE CA C 59.628 0.000 . 294 30 30 PHE CB C 35.394 0.000 . 295 30 30 PHE CD1 C 128.560 0.000 . 296 30 30 PHE CE1 C 127.683 0.000 . 297 30 30 PHE CZ C 126.221 0.000 . 298 30 30 PHE N N 115.465 0.000 . 299 31 31 GLY H H 8.294 0.000 . 300 31 31 GLY HA2 H 4.311 0.000 . 301 31 31 GLY HA3 H 3.970 0.000 . 302 31 31 GLY C C 172.455 0.000 . 303 31 31 GLY CA C 43.505 0.000 . 304 31 31 GLY N N 108.299 0.000 . 305 32 32 LYS H H 6.846 0.000 . 306 32 32 LYS HA H 3.926 0.000 . 307 32 32 LYS HB2 H 1.433 0.000 . 308 32 32 LYS HB3 H 1.281 0.000 . 309 32 32 LYS HG2 H 0.950 0.000 . 310 32 32 LYS HG3 H 0.780 0.000 . 311 32 32 LYS HD2 H 1.352 0.000 . 312 32 32 LYS HD3 H 1.352 0.000 . 313 32 32 LYS HE2 H 2.725 0.000 . 314 32 32 LYS HE3 H 2.725 0.000 . 315 32 32 LYS C C 174.779 0.000 . 316 32 32 LYS CA C 54.700 0.000 . 317 32 32 LYS CB C 28.935 0.000 . 318 32 32 LYS CG C 20.600 0.000 . 319 32 32 LYS CD C 26.013 0.000 . 320 32 32 LYS CE C 39.039 0.000 . 321 32 32 LYS N N 117.309 0.000 . 322 33 33 TYR H H 7.593 0.000 . 323 33 33 TYR HA H 4.117 0.000 . 324 33 33 TYR HB2 H 3.096 0.000 . 325 33 33 TYR HB3 H 2.862 0.000 . 326 33 33 TYR HD1 H 7.382 0.000 . 327 33 33 TYR HD2 H 7.382 0.000 . 328 33 33 TYR HE1 H 6.555 0.000 . 329 33 33 TYR HE2 H 6.555 0.000 . 330 33 33 TYR C C 171.935 0.000 . 331 33 33 TYR CA C 56.609 0.000 . 332 33 33 TYR CB C 35.735 0.000 . 333 33 33 TYR CD1 C 130.520 0.000 . 334 33 33 TYR CD2 C 130.520 0.000 . 335 33 33 TYR CE1 C 115.285 0.000 . 336 33 33 TYR CE2 C 115.285 0.000 . 337 33 33 TYR N N 115.635 0.000 . 338 34 34 GLY H H 7.253 0.000 . 339 34 34 GLY HA2 H 4.851 0.000 . 340 34 34 GLY HA3 H 3.726 0.000 . 341 34 34 GLY C C 168.962 0.000 . 342 34 34 GLY CA C 41.563 0.000 . 343 34 34 GLY N N 104.503 0.000 . 344 35 35 ARG H H 8.196 0.000 . 345 35 35 ARG HA H 4.115 0.000 . 346 35 35 ARG C C 174.272 0.000 . 347 35 35 ARG CA C 54.785 0.000 . 348 35 35 ARG CB C 27.958 0.000 . 349 35 35 ARG N N 116.679 0.000 . 350 36 36 ILE H H 8.760 0.000 . 351 36 36 ILE HA H 3.827 0.000 . 352 36 36 ILE HB H 1.517 0.000 . 353 36 36 ILE HG12 H 1.441 0.000 . 354 36 36 ILE HG13 H -0.094 0.000 . 355 36 36 ILE HG2 H 0.391 0.000 . 356 36 36 ILE HD1 H 0.290 0.000 . 357 36 36 ILE C C 173.725 0.000 . 358 36 36 ILE CA C 57.740 0.000 . 359 36 36 ILE CB C 37.006 0.000 . 360 36 36 ILE CG1 C 25.091 0.000 . 361 36 36 ILE CG2 C 15.216 0.000 . 362 36 36 ILE CD1 C 10.741 0.000 . 363 36 36 ILE N N 128.885 0.000 . 364 37 37 VAL H H 8.751 0.000 . 365 37 37 VAL HA H 4.083 0.000 . 366 37 37 VAL HB H 1.787 0.000 . 367 37 37 VAL HG1 H 0.745 0.000 . 368 37 37 VAL HG2 H 0.618 0.000 . 369 37 37 VAL C C 172.917 0.000 . 370 37 37 VAL CA C 59.346 0.000 . 371 37 37 VAL CB C 30.375 0.000 . 372 37 37 VAL CG1 C 18.343 0.000 . 373 37 37 VAL CG2 C 16.959 0.000 . 374 37 37 VAL N N 122.612 0.000 . 375 38 38 GLU H H 7.075 0.000 . 376 38 38 GLU HA H 4.368 0.000 . 377 38 38 GLU HB2 H 1.903 0.000 . 378 38 38 GLU HB3 H 1.735 0.000 . 379 38 38 GLU HG2 H 1.744 0.000 . 380 38 38 GLU HG3 H 2.039 0.000 . 381 38 38 GLU C C 170.647 0.000 . 382 38 38 GLU CA C 53.636 0.000 . 383 38 38 GLU CB C 31.112 0.000 . 384 38 38 GLU CG C 34.078 0.000 . 385 38 38 GLU N N 118.683 0.000 . 386 39 39 VAL H H 8.509 0.000 . 387 39 39 VAL HA H 4.319 0.000 . 388 39 39 VAL HB H 1.908 0.000 . 389 39 39 VAL HG1 H 0.705 0.000 . 390 39 39 VAL HG2 H 0.757 0.000 . 391 39 39 VAL C C 170.693 0.000 . 392 39 39 VAL CA C 59.056 0.000 . 393 39 39 VAL CB C 31.077 0.000 . 394 39 39 VAL CG1 C 18.765 0.000 . 395 39 39 VAL CG2 C 18.958 0.000 . 396 39 39 VAL N N 125.880 0.000 . 397 40 40 LEU H H 8.928 0.000 . 398 40 40 LEU HA H 4.675 0.000 . 399 40 40 LEU HB2 H 1.744 0.000 . 400 40 40 LEU HB3 H 1.342 0.000 . 401 40 40 LEU HD1 H 0.784 0.000 . 402 40 40 LEU HD2 H 0.708 0.000 . 403 40 40 LEU C C 171.627 0.000 . 404 40 40 LEU CA C 50.744 0.000 . 405 40 40 LEU CB C 42.066 0.000 . 406 40 40 LEU CD1 C 22.517 0.000 . 407 40 40 LEU CD2 C 23.199 0.000 . 408 40 40 LEU N N 129.331 0.000 . 409 41 41 LEU H H 9.023 0.000 . 410 41 41 LEU HA H 4.340 0.000 . 411 41 41 LEU HB2 H 1.737 0.000 . 412 41 41 LEU HB3 H 0.853 0.000 . 413 41 41 LEU HG H 1.237 0.000 . 414 41 41 LEU HD1 H 0.731 0.000 . 415 41 41 LEU HD2 H 0.662 0.000 . 416 41 41 LEU C C 172.935 0.000 . 417 41 41 LEU CA C 50.876 0.000 . 418 41 41 LEU CB C 41.547 0.000 . 419 41 41 LEU CG C 24.473 0.000 . 420 41 41 LEU CD1 C 23.550 0.000 . 421 41 41 LEU CD2 C 20.916 0.000 . 422 41 41 LEU N N 128.574 0.000 . 423 42 42 MET H H 7.988 0.000 . 424 42 42 MET HA H 4.357 0.000 . 425 42 42 MET HB2 H 1.347 0.000 . 426 42 42 MET HB3 H 1.123 0.000 . 427 42 42 MET HG2 H 2.082 0.000 . 428 42 42 MET HG3 H 2.252 0.000 . 429 42 42 MET HE H 2.008 0.000 . 430 42 42 MET C C 172.606 0.000 . 431 42 42 MET CA C 51.857 0.000 . 432 42 42 MET CB C 27.700 0.000 . 433 42 42 MET CG C 29.557 0.000 . 434 42 42 MET CE C 14.190 0.000 . 435 42 42 MET N N 125.617 0.000 . 436 43 43 LYS H H 8.289 0.000 . 437 43 43 LYS HA H 4.759 0.000 . 438 43 43 LYS HB2 H 1.272 0.000 . 439 43 43 LYS HB3 H 1.406 0.000 . 440 43 43 LYS HG2 H 0.910 0.000 . 441 43 43 LYS HG3 H 1.229 0.000 . 442 43 43 LYS HD2 H 1.391 0.000 . 443 43 43 LYS HD3 H 1.490 0.000 . 444 43 43 LYS HE2 H 2.790 0.000 . 445 43 43 LYS HE3 H 2.790 0.000 . 446 43 43 LYS C C 173.591 0.000 . 447 43 43 LYS CA C 51.608 0.000 . 448 43 43 LYS CB C 33.447 0.000 . 449 43 43 LYS CG C 22.194 0.000 . 450 43 43 LYS CD C 26.287 0.000 . 451 43 43 LYS CE C 39.577 0.000 . 452 43 43 LYS N N 121.956 0.000 . 453 44 44 ASP H H 8.693 0.000 . 454 44 44 ASP HA H 4.471 0.000 . 455 44 44 ASP HB2 H 2.877 0.000 . 456 44 44 ASP HB3 H 2.456 0.000 . 457 44 44 ASP C C 174.790 0.000 . 458 44 44 ASP CA C 51.279 0.000 . 459 44 44 ASP CB C 40.177 0.000 . 460 44 44 ASP N N 123.608 0.000 . 461 45 45 ARG H H 8.875 0.000 . 462 45 45 ARG HA H 3.976 0.000 . 463 45 45 ARG HB2 H 1.826 0.000 . 464 45 45 ARG HB3 H 1.826 0.000 . 465 45 45 ARG HG2 H 1.614 0.000 . 466 45 45 ARG HG3 H 1.614 0.000 . 467 45 45 ARG HD2 H 3.145 0.000 . 468 45 45 ARG HD3 H 3.145 0.000 . 469 45 45 ARG C C 174.578 0.000 . 470 45 45 ARG CA C 55.637 0.000 . 471 45 45 ARG CB C 27.544 0.000 . 472 45 45 ARG CG C 24.382 0.000 . 473 45 45 ARG CD C 40.505 0.000 . 474 45 45 ARG N N 126.884 0.000 . 475 46 46 GLU H H 8.561 0.000 . 476 46 46 GLU HA H 4.182 0.000 . 477 46 46 GLU HB2 H 2.078 0.000 . 478 46 46 GLU HB3 H 2.031 0.000 . 479 46 46 GLU HG2 H 2.138 0.000 . 480 46 46 GLU HG3 H 2.224 0.000 . 481 46 46 GLU C C 175.625 0.000 . 482 46 46 GLU CA C 55.628 0.000 . 483 46 46 GLU CB C 27.597 0.000 . 484 46 46 GLU CG C 33.775 0.000 . 485 46 46 GLU N N 117.313 0.000 . 486 47 47 THR H H 8.053 0.000 . 487 47 47 THR HA H 4.277 0.000 . 488 47 47 THR HB H 4.263 0.000 . 489 47 47 THR HG2 H 1.113 0.000 . 490 47 47 THR C C 173.242 0.000 . 491 47 47 THR CA C 58.709 0.000 . 492 47 47 THR CB C 67.971 0.000 . 493 47 47 THR CG2 C 18.407 0.000 . 494 47 47 THR N N 107.019 0.000 . 495 48 48 ASN H H 8.230 0.000 . 496 48 48 ASN HA H 4.335 0.000 . 497 48 48 ASN HB2 H 2.705 0.000 . 498 48 48 ASN HB3 H 3.072 0.000 . 499 48 48 ASN HD21 H 6.743 0.000 . 500 48 48 ASN HD22 H 7.431 0.000 . 501 48 48 ASN C C 171.106 0.000 . 502 48 48 ASN CA C 52.130 0.000 . 503 48 48 ASN CB C 35.645 0.000 . 504 48 48 ASN N N 117.468 0.000 . 505 48 48 ASN ND2 N 112.229 0.000 . 506 49 49 LYS H H 7.517 0.000 . 507 49 49 LYS HA H 4.296 0.000 . 508 49 49 LYS HB2 H 1.736 0.000 . 509 49 49 LYS HB3 H 1.572 0.000 . 510 49 49 LYS HG2 H 1.368 0.000 . 511 49 49 LYS HG3 H 1.368 0.000 . 512 49 49 LYS HD2 H 1.591 0.000 . 513 49 49 LYS HE2 H 2.915 0.000 . 514 49 49 LYS HE3 H 2.915 0.000 . 515 49 49 LYS C C 173.910 0.000 . 516 49 49 LYS CA C 52.763 0.000 . 517 49 49 LYS CB C 31.039 0.000 . 518 49 49 LYS CG C 22.155 0.000 . 519 49 49 LYS CD C 26.111 0.000 . 520 49 49 LYS CE C 39.437 0.000 . 521 49 49 LYS N N 117.523 0.000 . 522 50 50 SER H H 8.705 0.000 . 523 50 50 SER HA H 4.197 0.000 . 524 50 50 SER HB2 H 3.935 0.000 . 525 50 50 SER HB3 H 3.935 0.000 . 526 50 50 SER C C 173.417 0.000 . 527 50 50 SER CA C 55.614 0.000 . 528 50 50 SER CB C 61.524 0.000 . 529 50 50 SER N N 115.960 0.000 . 530 51 51 ARG H H 9.023 0.000 . 531 51 51 ARG HA H 4.308 0.000 . 532 51 51 ARG HB2 H 2.267 0.000 . 533 51 51 ARG HB3 H 1.074 0.000 . 534 51 51 ARG HG2 H 1.493 0.000 . 535 51 51 ARG HG3 H 1.658 0.000 . 536 51 51 ARG HD2 H 2.782 0.000 . 537 51 51 ARG HD3 H 3.118 0.000 . 538 51 51 ARG C C 174.657 0.000 . 539 51 51 ARG CA C 53.393 0.000 . 540 51 51 ARG CB C 28.779 0.000 . 541 51 51 ARG CG C 24.771 0.000 . 542 51 51 ARG CD C 41.235 0.000 . 543 51 51 ARG N N 124.058 0.000 . 544 52 52 GLY H H 9.129 0.000 . 545 52 52 GLY HA2 H 3.999 0.000 . 546 52 52 GLY HA3 H 3.112 0.000 . 547 52 52 GLY C C 168.863 0.000 . 548 52 52 GLY CA C 42.919 0.000 . 549 52 52 GLY N N 106.703 0.000 . 550 53 53 PHE H H 6.845 0.000 . 551 53 53 PHE HA H 5.243 0.000 . 552 53 53 PHE HB2 H 3.091 0.000 . 553 53 53 PHE HB3 H 2.709 0.000 . 554 53 53 PHE HD1 H 6.866 0.000 . 555 53 53 PHE HD2 H 6.866 0.000 . 556 53 53 PHE HE1 H 7.319 0.000 . 557 53 53 PHE HE2 H 7.319 0.000 . 558 53 53 PHE HZ H 7.270 0.000 . 559 53 53 PHE C C 169.552 0.000 . 560 53 53 PHE CA C 52.095 0.000 . 561 53 53 PHE CB C 38.914 0.000 . 562 53 53 PHE CD2 C 130.137 0.000 . 563 53 53 PHE CE2 C 128.554 0.000 . 564 53 53 PHE CZ C 126.826 0.000 . 565 53 53 PHE N N 112.307 0.000 . 566 54 54 ALA H H 8.970 0.000 . 567 54 54 ALA HA H 4.894 0.000 . 568 54 54 ALA HB H 0.875 0.000 . 569 54 54 ALA C C 171.062 0.000 . 570 54 54 ALA CA C 47.049 0.000 . 571 54 54 ALA CB C 22.826 0.000 . 572 54 54 ALA N N 120.987 0.000 . 573 55 55 PHE H H 8.837 0.000 . 574 55 55 PHE HA H 5.768 0.000 . 575 55 55 PHE HB2 H 2.785 0.000 . 576 55 55 PHE HB3 H 2.644 0.000 . 577 55 55 PHE HD1 H 7.132 0.000 . 578 55 55 PHE HD2 H 7.132 0.000 . 579 55 55 PHE HE1 H 7.090 0.000 . 580 55 55 PHE HE2 H 7.090 0.000 . 581 55 55 PHE C C 173.605 0.000 . 582 55 55 PHE CA C 53.080 0.000 . 583 55 55 PHE CB C 40.029 0.000 . 584 55 55 PHE CD2 C 129.377 0.000 . 585 55 55 PHE CE2 C 128.633 0.000 . 586 55 55 PHE CZ C 128.647 0.000 . 587 55 55 PHE N N 114.157 0.000 . 588 56 56 VAL H H 8.558 0.000 . 589 56 56 VAL HA H 4.474 0.000 . 590 56 56 VAL HB H 1.277 0.000 . 591 56 56 VAL HG1 H 0.334 0.000 . 592 56 56 VAL HG2 H 0.233 0.000 . 593 56 56 VAL C C 171.401 0.000 . 594 56 56 VAL CA C 57.848 0.000 . 595 56 56 VAL CB C 32.527 0.000 . 596 56 56 VAL CG1 C 18.997 0.000 . 597 56 56 VAL CG2 C 18.694 0.000 . 598 56 56 VAL N N 123.812 0.000 . 599 57 57 THR H H 8.808 0.000 . 600 57 57 THR HA H 4.974 0.000 . 601 57 57 THR HB H 3.687 0.000 . 602 57 57 THR HG2 H 0.875 0.000 . 603 57 57 THR C C 171.340 0.000 . 604 57 57 THR CA C 58.659 0.000 . 605 57 57 THR CB C 66.662 0.000 . 606 57 57 THR CG2 C 18.846 0.000 . 607 57 57 THR N N 123.000 0.000 . 608 58 58 PHE H H 8.835 0.000 . 609 58 58 PHE HA H 4.683 0.000 . 610 58 58 PHE HB2 H 3.606 0.000 . 611 58 58 PHE HB3 H 2.660 0.000 . 612 58 58 PHE HD1 H 7.158 0.000 . 613 58 58 PHE HD2 H 7.158 0.000 . 614 58 58 PHE HE1 H 7.555 0.000 . 615 58 58 PHE HE2 H 7.555 0.000 . 616 58 58 PHE C C 172.367 0.000 . 617 58 58 PHE CA C 55.449 0.000 . 618 58 58 PHE CB C 37.909 0.000 . 619 58 58 PHE CD1 C 128.717 0.000 . 620 58 58 PHE CE1 C 126.743 0.000 . 621 58 58 PHE N N 128.385 0.000 . 622 59 59 GLU H H 8.067 0.000 . 623 59 59 GLU HA H 3.766 0.000 . 624 59 59 GLU HB2 H 2.071 0.000 . 625 59 59 GLU HB3 H 1.761 0.000 . 626 59 59 GLU C C 173.666 0.000 . 627 59 59 GLU CA C 56.293 0.000 . 628 59 59 GLU CB C 27.787 0.000 . 629 59 59 GLU N N 121.627 0.000 . 630 60 60 SER H H 9.333 0.000 . 631 60 60 SER HA H 5.163 0.000 . 632 60 60 SER HB2 H 3.903 0.000 . 633 60 60 SER HB3 H 3.903 0.000 . 634 60 60 SER CA C 50.137 0.000 . 635 60 60 SER CB C 61.350 0.000 . 636 60 60 SER N N 112.302 0.000 . 637 61 61 PRO HA H 3.998 0.000 . 638 61 61 PRO HB2 H 2.143 0.000 . 639 61 61 PRO HB3 H 1.786 0.000 . 640 61 61 PRO HG2 H 1.744 0.000 . 641 61 61 PRO HG3 H 2.120 0.000 . 642 61 61 PRO HD2 H 4.020 0.000 . 643 61 61 PRO HD3 H 3.931 0.000 . 644 61 61 PRO CA C 61.850 0.000 . 645 61 61 PRO CB C 29.391 0.000 . 646 61 61 PRO CG C 25.146 0.000 . 647 61 61 PRO CD C 48.543 0.000 . 648 62 62 ALA H H 7.821 0.000 . 649 62 62 ALA HA H 3.932 0.000 . 650 62 62 ALA HB H 1.300 0.000 . 651 62 62 ALA C C 176.826 0.000 . 652 62 62 ALA CA C 52.266 0.000 . 653 62 62 ALA CB C 15.618 0.000 . 654 62 62 ALA N N 121.088 0.000 . 655 63 63 ASP H H 6.960 0.000 . 656 63 63 ASP HA H 4.092 0.000 . 657 63 63 ASP HB2 H 2.388 0.000 . 658 63 63 ASP HB3 H 2.654 0.000 . 659 63 63 ASP C C 174.505 0.000 . 660 63 63 ASP CA C 53.809 0.000 . 661 63 63 ASP CB C 37.374 0.000 . 662 63 63 ASP N N 120.099 0.000 . 663 64 64 ALA H H 6.771 0.000 . 664 64 64 ALA HA H 3.141 0.000 . 665 64 64 ALA HB H 1.370 0.000 . 666 64 64 ALA C C 176.037 0.000 . 667 64 64 ALA CA C 51.399 0.000 . 668 64 64 ALA CB C 15.565 0.000 . 669 64 64 ALA N N 119.533 0.000 . 670 65 65 LYS H H 7.478 0.000 . 671 65 65 LYS HA H 3.727 0.000 . 672 65 65 LYS HB2 H 1.796 0.000 . 673 65 65 LYS HB3 H 1.796 0.000 . 674 65 65 LYS HG2 H 1.476 0.000 . 675 65 65 LYS HG3 H 1.282 0.000 . 676 65 65 LYS HD2 H 1.582 0.000 . 677 65 65 LYS HD3 H 1.582 0.000 . 678 65 65 LYS HE2 H 2.863 0.000 . 679 65 65 LYS HE3 H 2.863 0.000 . 680 65 65 LYS C C 176.716 0.000 . 681 65 65 LYS CA C 56.684 0.000 . 682 65 65 LYS CB C 29.183 0.000 . 683 65 65 LYS CG C 22.423 0.000 . 684 65 65 LYS CD C 26.604 0.000 . 685 65 65 LYS CE C 39.341 0.000 . 686 65 65 LYS N N 117.395 0.000 . 687 66 66 ASP H H 7.403 0.000 . 688 66 66 ASP HA H 4.183 0.000 . 689 66 66 ASP HB2 H 2.611 0.000 . 690 66 66 ASP HB3 H 2.833 0.000 . 691 66 66 ASP C C 175.111 0.000 . 692 66 66 ASP CA C 54.430 0.000 . 693 66 66 ASP CB C 37.720 0.000 . 694 66 66 ASP N N 120.839 0.000 . 695 67 67 ALA H H 7.737 0.000 . 696 67 67 ALA HA H 2.160 0.000 . 697 67 67 ALA HB H 0.942 0.000 . 698 67 67 ALA C C 176.448 0.000 . 699 67 67 ALA CA C 51.299 0.000 . 700 67 67 ALA CB C 17.253 0.000 . 701 67 67 ALA N N 122.056 0.000 . 702 68 68 ALA H H 8.108 0.000 . 703 68 68 ALA HA H 3.699 0.000 . 704 68 68 ALA HB H 1.258 0.000 . 705 68 68 ALA C C 176.619 0.000 . 706 68 68 ALA CA C 52.280 0.000 . 707 68 68 ALA CB C 14.849 0.000 . 708 68 68 ALA N N 118.624 0.000 . 709 69 69 ARG H H 7.599 0.000 . 710 69 69 ARG HA H 3.932 0.000 . 711 69 69 ARG HB2 H 1.848 0.000 . 712 69 69 ARG HG2 H 1.675 0.000 . 713 69 69 ARG HG3 H 1.535 0.000 . 714 69 69 ARG HD2 H 3.134 0.000 . 715 69 69 ARG HD3 H 3.199 0.000 . 716 69 69 ARG C C 175.857 0.000 . 717 69 69 ARG CA C 55.734 0.000 . 718 69 69 ARG CB C 27.249 0.000 . 719 69 69 ARG CG C 24.298 0.000 . 720 69 69 ARG CD C 40.546 0.000 . 721 69 69 ARG N N 116.265 0.000 . 722 70 70 ASP H H 7.657 0.000 . 723 70 70 ASP HA H 4.555 0.000 . 724 70 70 ASP HB2 H 2.620 0.000 . 725 70 70 ASP HB3 H 2.410 0.000 . 726 70 70 ASP C C 174.867 0.000 . 727 70 70 ASP CA C 53.314 0.000 . 728 70 70 ASP CB C 39.839 0.000 . 729 70 70 ASP N N 116.202 0.000 . 730 71 71 MET H H 8.069 0.000 . 731 71 71 MET HA H 4.742 0.000 . 732 71 71 MET HB2 H 2.285 0.000 . 733 71 71 MET HB3 H 1.947 0.000 . 734 71 71 MET HG2 H 1.917 0.000 . 735 71 71 MET HE H 1.533 0.000 . 736 71 71 MET C C 175.174 0.000 . 737 71 71 MET CA C 50.378 0.000 . 738 71 71 MET CB C 29.047 0.000 . 739 71 71 MET CG C 30.116 0.000 . 740 71 71 MET CE C 11.990 0.000 . 741 71 71 MET N N 111.561 0.000 . 742 72 72 ASN H H 7.442 0.000 . 743 72 72 ASN HA H 4.281 0.000 . 744 72 72 ASN HB2 H 3.329 0.000 . 745 72 72 ASN HB3 H 2.846 0.000 . 746 72 72 ASN HD21 H 6.995 0.000 . 747 72 72 ASN HD22 H 7.672 0.000 . 748 72 72 ASN C C 173.812 0.000 . 749 72 72 ASN CA C 53.826 0.000 . 750 72 72 ASN CB C 35.885 0.000 . 751 72 72 ASN N N 116.196 0.000 . 752 72 72 ASN ND2 N 114.625 0.000 . 753 73 73 GLY H H 8.884 0.000 . 754 73 73 GLY HA2 H 4.145 0.000 . 755 73 73 GLY HA3 H 3.630 0.000 . 756 73 73 GLY C C 171.629 0.000 . 757 73 73 GLY CA C 43.091 0.000 . 758 73 73 GLY N N 116.956 0.000 . 759 74 74 LYS H H 7.797 0.000 . 760 74 74 LYS HA H 4.240 0.000 . 761 74 74 LYS HB2 H 1.922 0.000 . 762 74 74 LYS HB3 H 1.710 0.000 . 763 74 74 LYS HG2 H 1.192 0.000 . 764 74 74 LYS HG3 H 1.650 0.000 . 765 74 74 LYS HD2 H 1.581 0.000 . 766 74 74 LYS HE2 H 2.994 0.000 . 767 74 74 LYS HE3 H 2.994 0.000 . 768 74 74 LYS C C 172.132 0.000 . 769 74 74 LYS CA C 52.333 0.000 . 770 74 74 LYS CB C 30.131 0.000 . 771 74 74 LYS CG C 23.145 0.000 . 772 74 74 LYS CE C 39.954 0.000 . 773 74 74 LYS N N 120.829 0.000 . 774 75 75 SER H H 8.037 0.000 . 775 75 75 SER HA H 4.940 0.000 . 776 75 75 SER HB2 H 3.507 0.000 . 777 75 75 SER HB3 H 3.458 0.000 . 778 75 75 SER C C 171.838 0.000 . 779 75 75 SER CA C 54.722 0.000 . 780 75 75 SER CB C 61.242 0.000 . 781 75 75 SER N N 112.883 0.000 . 782 76 76 LEU H H 8.988 0.000 . 783 76 76 LEU HA H 4.436 0.000 . 784 76 76 LEU HB2 H 1.712 0.000 . 785 76 76 LEU HB3 H 1.118 0.000 . 786 76 76 LEU C C 173.849 0.000 . 787 76 76 LEU CA C 51.775 0.000 . 788 76 76 LEU CB C 41.886 0.000 . 789 76 76 LEU CD1 C 15.794 0.000 . 790 76 76 LEU N N 127.669 0.000 . 791 77 77 ASP H H 9.523 0.000 . 792 77 77 ASP HA H 4.174 0.000 . 793 77 77 ASP HB2 H 2.382 0.000 . 794 77 77 ASP HB3 H 2.746 0.000 . 795 77 77 ASP C C 173.415 0.000 . 796 77 77 ASP CA C 52.876 0.000 . 797 77 77 ASP CB C 36.413 0.000 . 798 77 77 ASP N N 129.054 0.000 . 799 78 78 GLY H H 8.396 0.000 . 800 78 78 GLY HA2 H 4.018 0.000 . 801 78 78 GLY HA3 H 3.462 0.000 . 802 78 78 GLY C C 170.989 0.000 . 803 78 78 GLY CA C 42.769 0.000 . 804 78 78 GLY N N 101.915 0.000 . 805 79 79 LYS H H 7.269 0.000 . 806 79 79 LYS HA H 4.546 0.000 . 807 79 79 LYS HB2 H 1.638 0.000 . 808 79 79 LYS HB3 H 1.884 0.000 . 809 79 79 LYS HG2 H 1.265 0.000 . 810 79 79 LYS HG3 H 1.265 0.000 . 811 79 79 LYS HD2 H 1.616 0.000 . 812 79 79 LYS HD3 H 1.616 0.000 . 813 79 79 LYS HE2 H 2.840 0.000 . 814 79 79 LYS HE3 H 2.840 0.000 . 815 79 79 LYS C C 171.513 0.000 . 816 79 79 LYS CA C 50.277 0.000 . 817 79 79 LYS CB C 31.955 0.000 . 818 79 79 LYS CG C 21.519 0.000 . 819 79 79 LYS CD C 25.042 0.000 . 820 79 79 LYS CE C 39.431 0.000 . 821 79 79 LYS N N 119.791 0.000 . 822 80 80 ALA H H 8.235 0.000 . 823 80 80 ALA HA H 4.365 0.000 . 824 80 80 ALA HB H 1.096 0.000 . 825 80 80 ALA C C 175.007 0.000 . 826 80 80 ALA CA C 48.381 0.000 . 827 80 80 ALA CB C 15.215 0.000 . 828 80 80 ALA N N 125.002 0.000 . 829 81 81 ILE H H 8.204 0.000 . 830 81 81 ILE HA H 4.614 0.000 . 831 81 81 ILE HB H 1.798 0.000 . 832 81 81 ILE HG12 H 1.381 0.000 . 833 81 81 ILE HG13 H 1.381 0.000 . 834 81 81 ILE HG2 H 0.787 0.000 . 835 81 81 ILE HD1 H 0.654 0.000 . 836 81 81 ILE C C 172.389 0.000 . 837 81 81 ILE CA C 57.921 0.000 . 838 81 81 ILE CB C 37.547 0.000 . 839 81 81 ILE CG1 C 21.655 0.000 . 840 81 81 ILE CG2 C 15.835 0.000 . 841 81 81 ILE CD1 C 11.883 0.000 . 842 81 81 ILE N N 119.947 0.000 . 843 82 82 LYS H H 8.460 0.000 . 844 82 82 LYS HA H 4.846 0.000 . 845 82 82 LYS HB2 H 1.564 0.000 . 846 82 82 LYS HB3 H 1.564 0.000 . 847 82 82 LYS C C 172.571 0.000 . 848 82 82 LYS CA C 51.341 0.000 . 849 82 82 LYS CB C 31.948 0.000 . 850 82 82 LYS N N 123.700 0.000 . 851 83 83 VAL H H 8.653 0.000 . 852 83 83 VAL HA H 5.068 0.000 . 853 83 83 VAL HB H 1.842 0.000 . 854 83 83 VAL HG1 H 0.946 0.000 . 855 83 83 VAL HG2 H 0.854 0.000 . 856 83 83 VAL C C 171.831 0.000 . 857 83 83 VAL CA C 57.954 0.000 . 858 83 83 VAL CB C 31.979 0.000 . 859 83 83 VAL CG1 C 19.113 0.000 . 860 83 83 VAL CG2 C 21.121 0.000 . 861 83 83 VAL N N 123.707 0.000 . 862 84 84 GLU H H 8.977 0.000 . 863 84 84 GLU HA H 4.684 0.000 . 864 84 84 GLU HB2 H 1.908 0.000 . 865 84 84 GLU HB3 H 2.090 0.000 . 866 84 84 GLU HG2 H 2.109 0.000 . 867 84 84 GLU HG3 H 2.190 0.000 . 868 84 84 GLU C C 172.141 0.000 . 869 84 84 GLU CA C 51.305 0.000 . 870 84 84 GLU CB C 31.690 0.000 . 871 84 84 GLU CG C 32.552 0.000 . 872 84 84 GLU N N 123.150 0.000 . 873 85 85 GLN H H 8.835 0.000 . 874 85 85 GLN HA H 4.249 0.000 . 875 85 85 GLN HB2 H 2.055 0.000 . 876 85 85 GLN HB3 H 1.914 0.000 . 877 85 85 GLN HG2 H 2.265 0.000 . 878 85 85 GLN HG3 H 2.265 0.000 . 879 85 85 GLN HE21 H 7.627 0.000 . 880 85 85 GLN HE22 H 6.698 0.000 . 881 85 85 GLN C C 173.263 0.000 . 882 85 85 GLN CA C 54.257 0.000 . 883 85 85 GLN CB C 26.519 0.000 . 884 85 85 GLN CG C 31.420 0.000 . 885 85 85 GLN N N 121.740 0.000 . 886 85 85 GLN NE2 N 111.783 0.000 . 887 86 86 ALA H H 8.608 0.000 . 888 86 86 ALA HA H 4.434 0.000 . 889 86 86 ALA HB H 1.378 0.000 . 890 86 86 ALA C C 174.487 0.000 . 891 86 86 ALA CA C 50.016 0.000 . 892 86 86 ALA CB C 16.340 0.000 . 893 86 86 ALA N N 127.885 0.000 . 894 87 87 THR H H 8.271 0.000 . 895 87 87 THR HA H 4.339 0.000 . 896 87 87 THR HB H 4.070 0.000 . 897 87 87 THR HG2 H 1.049 0.000 . 898 87 87 THR C C 171.331 0.000 . 899 87 87 THR CA C 58.219 0.000 . 900 87 87 THR CB C 67.397 0.000 . 901 87 87 THR CG2 C 18.937 0.000 . 902 87 87 THR N N 113.372 0.000 . 903 88 88 LYS H H 8.203 0.000 . 904 88 88 LYS HA H 4.473 0.000 . 905 88 88 LYS HB2 H 1.569 0.000 . 906 88 88 LYS HB3 H 1.666 0.000 . 907 88 88 LYS HG2 H 1.309 0.000 . 908 88 88 LYS HG3 H 1.309 0.000 . 909 88 88 LYS HE2 H 2.447 0.000 . 910 88 88 LYS HE3 H 2.447 0.000 . 911 88 88 LYS CA C 51.611 0.000 . 912 88 88 LYS CB C 29.867 0.000 . 913 88 88 LYS CG C 21.477 0.000 . 914 88 88 LYS N N 123.502 0.000 . 915 89 89 PRO HA H 4.194 0.000 . 916 89 89 PRO HB2 H 1.560 0.000 . 917 89 89 PRO HG2 H 1.783 0.000 . 918 89 89 PRO HG3 H 1.811 0.000 . 919 89 89 PRO HD2 H 3.634 0.000 . 920 89 89 PRO HD3 H 3.489 0.000 . 921 89 89 PRO C C 173.726 0.000 . 922 89 89 PRO CA C 60.070 0.000 . 923 89 89 PRO CB C 29.315 0.000 . 924 89 89 PRO CG C 24.472 0.000 . 925 89 89 PRO CD C 47.488 0.000 . 926 90 90 SER H H 7.991 0.000 . 927 90 90 SER HA H 4.229 0.000 . 928 90 90 SER HB2 H 3.640 0.000 . 929 90 90 SER HB3 H 3.578 0.000 . 930 90 90 SER C C 171.123 0.000 . 931 90 90 SER CA C 55.017 0.000 . 932 90 90 SER CB C 60.977 0.000 . 933 90 90 SER N N 115.260 0.000 . 934 91 91 PHE H H 8.004 0.000 . 935 91 91 PHE HA H 4.527 0.000 . 936 91 91 PHE HB2 H 3.042 0.000 . 937 91 91 PHE HB3 H 2.854 0.000 . 938 91 91 PHE HD1 H 7.096 0.000 . 939 91 91 PHE HD2 H 7.096 0.000 . 940 91 91 PHE C C 171.798 0.000 . 941 91 91 PHE CA C 54.467 0.000 . 942 91 91 PHE CB C 37.008 0.000 . 943 91 91 PHE CD2 C 129.046 0.000 . 944 91 91 PHE N N 121.128 0.000 . 945 92 92 GLU H H 7.712 0.000 . 946 92 92 GLU HA H 3.996 0.000 . 947 92 92 GLU HB2 H 1.924 0.000 . 948 92 92 GLU CA C 54.927 0.000 . 949 92 92 GLU N N 126.176 0.000 . stop_ save_