data_15487 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Segmental Isotope Labeling of Npl3p ; _BMRB_accession_number 15487 _BMRB_flat_file_name bmr15487.str _Entry_type original _Submission_date 2007-09-25 _Accession_date 2007-09-25 _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 Skrisovska Lenka . . 2 Allain Frederic H-T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 423 "13C chemical shifts" 230 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-26 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15485 'Npl3p RRM1' stop_ _Original_release_date 2008-06-26 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Improved segmental isotope labeling methods for the NMR study of multidomain or large proteins: application to the RRMs of Npl3p and hnRNP L' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17936301 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Skrisovska Lenka . . 2 Allain Frederic H-T. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 375 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 151 _Page_last 164 _Year 2008 _Details . loop_ _Keyword EPL NMR 'Segmental labeling' 'Structural Biology' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Npl3p RRM2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Npl3p RRM2' $Npl3p_RRM2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'RNA binding protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Npl3p_RRM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Npl3p_RRM2 _Molecular_mass 12545 _Mol_thiol_state 'all free' loop_ _Biological_function 'RNA binding protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MSKLPAKRYRITMKNLPEGC SWQDLKDLARENSLETTFSS VNTRDFDGTGALEFPSEEIL VEALERLNNIEFRGSVITVE RDDNPPPIRRS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 SER 23 LYS 24 LEU 25 PRO 26 ALA 27 LYS 28 ARG 29 TYR 30 ARG 31 ILE 32 THR 33 MET 34 LYS 35 ASN 36 LEU 37 PRO 38 GLU 39 GLY 40 CYS 41 SER 42 TRP 43 GLN 44 ASP 45 LEU 46 LYS 47 ASP 48 LEU 49 ALA 50 ARG 51 GLU 52 ASN 53 SER 54 LEU 55 GLU 56 THR 57 THR 58 PHE 59 SER 60 SER 61 VAL 62 ASN 63 THR 64 ARG 65 ASP 66 PHE 67 ASP 68 GLY 69 THR 70 GLY 71 ALA 72 LEU 73 GLU 74 PHE 75 PRO 76 SER 77 GLU 78 GLU 79 ILE 80 LEU 81 VAL 82 GLU 83 ALA 84 LEU 85 GLU 86 ARG 87 LEU 88 ASN 89 ASN 90 ILE 91 GLU 92 PHE 93 ARG 94 GLY 95 SER 96 VAL 97 ILE 98 THR 99 VAL 100 GLU 101 ARG 102 ASP 103 ASP 104 ASN 105 PRO 106 PRO 107 PRO 108 ILE 109 ARG 110 ARG 111 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JVR "Segmental Isotope Labeling Of Npl3p" 100.00 111 100.00 100.00 5.64e-75 PDB 2OSR "Nmr Structure Of Rrm-2 Of Yeast Npl3 Protein" 78.38 87 100.00 100.00 4.53e-56 DBJ GAA22648 "K7_Npl3p [Saccharomyces cerevisiae Kyokai no. 7]" 81.98 414 98.90 98.90 2.03e-55 EMBL CAA46817 "nucleolar protein [Saccharomyces cerevisiae]" 81.98 414 98.90 98.90 2.08e-55 EMBL CAA50291 "Mts1p [Saccharomyces cerevisiae]" 81.98 414 98.90 98.90 2.08e-55 EMBL CAY78932 "Npl3p [Saccharomyces cerevisiae EC1118]" 81.98 414 98.90 98.90 2.08e-55 GB AAA34818 "Npl3p [Saccharomyces cerevisiae]" 81.98 414 98.90 98.90 2.08e-55 GB AAB64865 "Npl3p: nucleolar RNA processing and export protein [Saccharomyces cerevisiae]" 81.98 414 98.90 98.90 2.08e-55 GB AHY75384 "Npl3p [Saccharomyces cerevisiae YJM993]" 81.98 414 98.90 98.90 2.08e-55 GB AJP38110 "Npl3p [Saccharomyces cerevisiae YJM1078]" 81.98 414 98.90 98.90 2.08e-55 GB AJU58232 "Npl3p [Saccharomyces cerevisiae YJM189]" 81.98 414 98.90 98.90 2.08e-55 REF NP_010720 "mRNA-binding protein NPL3 [Saccharomyces cerevisiae S288c]" 81.98 414 98.90 98.90 2.08e-55 SP Q01560 "RecName: Full=Nucleolar protein 3; AltName: Full=Mitochondrial targeting suppressor 1 protein; AltName: Full=Nuclear polyadenyl" 81.98 414 98.90 98.90 2.08e-55 TPG DAA12270 "TPA: mRNA-binding protein NPL3 [Saccharomyces cerevisiae S288c]" 81.98 414 98.90 98.90 2.08e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Npl3p_RRM2 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Npl3p_RRM2 'recombinant technology' . Escherichia coli 'BL21 codon+ RIL' pET28a+ 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 $Npl3p_RRM2 1 mM '[U-13C; U-15N]' H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Npl3p_RRM2 1 mM '[U-13C; U-15N]' D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Npl3p_RRM2 1 mM [U-15N] H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_ATNOS_CANDID _Saveframe_category software _Name ATHNOS-CANDID _Version . loop_ _Vendor _Address _Electronic_address 'T. Herrmann 2005' 'ETH Zurich' . stop_ loop_ _Task 'automated NOE assignment' 'automated peak picking' 'structure calculation' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 7.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details 'equipped with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 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' 0.2 . M pH 7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.7 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 'Npl3p RRM2' _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 25 25 PRO HA H 4.307 0.012 . 2 25 25 PRO HB2 H 1.708 0.004 . 3 25 25 PRO HB3 H 2.160 0.002 . 4 25 25 PRO HD2 H 3.181 0.013 . 5 25 25 PRO HD3 H 3.181 0.013 . 6 25 25 PRO HG2 H 1.793 0.004 . 7 25 25 PRO HG3 H 1.793 0.004 . 8 25 25 PRO CA C 60.309 0.000 . 9 25 25 PRO CB C 29.455 0.103 . 10 25 25 PRO CD C 47.550 0.000 . 11 25 25 PRO CG C 27.690 0.185 . 12 26 26 ALA H H 8.192 0.042 . 13 26 26 ALA HA H 4.200 0.001 . 14 26 26 ALA HB H 1.285 0.004 . 15 26 26 ALA CA C 49.625 0.000 . 16 26 26 ALA CB C 16.767 0.031 . 17 26 26 ALA N N 124.011 0.028 . 18 27 27 LYS H H 7.967 0.003 . 19 27 27 LYS HA H 4.069 0.005 . 20 27 27 LYS HB2 H 1.459 0.011 . 21 27 27 LYS HB3 H 1.507 0.005 . 22 27 27 LYS HD2 H 1.615 0.007 . 23 27 27 LYS HD3 H 1.615 0.007 . 24 27 27 LYS HE2 H 2.891 0.000 . 25 27 27 LYS HE3 H 2.891 0.000 . 26 27 27 LYS HG2 H 1.148 0.006 . 27 27 27 LYS HG3 H 1.148 0.006 . 28 27 27 LYS CA C 53.180 0.017 . 29 27 27 LYS CB C 30.846 0.027 . 30 27 27 LYS CD C 26.431 0.054 . 31 27 27 LYS CE C 39.460 0.033 . 32 27 27 LYS CG C 22.080 0.003 . 33 27 27 LYS N N 120.394 0.015 . 34 28 28 ARG H H 7.833 0.005 . 35 28 28 ARG HA H 4.152 0.004 . 36 28 28 ARG HB2 H 1.301 0.005 . 37 28 28 ARG HB3 H 1.445 0.001 . 38 28 28 ARG HD2 H 2.957 0.009 . 39 28 28 ARG HD3 H 2.957 0.009 . 40 28 28 ARG HG2 H 1.318 0.009 . 41 28 28 ARG HG3 H 1.423 0.009 . 42 28 28 ARG CA C 51.694 0.037 . 43 28 28 ARG CB C 29.733 0.029 . 44 28 28 ARG CD C 40.579 0.000 . 45 28 28 ARG CG C 23.592 0.024 . 46 28 28 ARG N N 120.694 0.016 . 47 29 29 TYR H H 8.535 0.005 . 48 29 29 TYR HA H 4.563 0.003 . 49 29 29 TYR HB2 H 2.865 0.006 . 50 29 29 TYR HB3 H 3.188 0.007 . 51 29 29 TYR HD1 H 6.947 0.004 . 52 29 29 TYR HD2 H 6.947 0.004 . 53 29 29 TYR HE1 H 6.727 0.002 . 54 29 29 TYR HE2 H 6.727 0.002 . 55 29 29 TYR CB C 34.803 0.028 . 56 29 29 TYR CD1 C 130.319 0.000 . 57 29 29 TYR CE1 C 115.681 0.000 . 58 29 29 TYR N N 123.003 0.007 . 59 30 30 ARG H H 8.792 0.007 . 60 30 30 ARG HA H 5.436 0.004 . 61 30 30 ARG HB2 H 1.292 0.002 . 62 30 30 ARG HB3 H 1.867 0.004 . 63 30 30 ARG HD2 H 3.180 0.002 . 64 30 30 ARG HD3 H 3.180 0.002 . 65 30 30 ARG HG2 H 1.403 0.004 . 66 30 30 ARG HG3 H 1.403 0.004 . 67 30 30 ARG CA C 52.176 0.000 . 68 30 30 ARG CB C 33.141 0.000 . 69 30 30 ARG CD C 41.086 0.000 . 70 30 30 ARG CG C 26.433 0.000 . 71 30 30 ARG N N 126.111 0.013 . 72 31 31 ILE H H 9.068 0.003 . 73 31 31 ILE HA H 5.201 0.008 . 74 31 31 ILE HB H 1.873 0.002 . 75 31 31 ILE HD1 H 0.847 0.002 . 76 31 31 ILE HG12 H 1.348 0.008 . 77 31 31 ILE HG13 H 1.493 0.004 . 78 31 31 ILE HG2 H 0.873 0.002 . 79 31 31 ILE CA C 56.481 0.000 . 80 31 31 ILE CB C 38.381 0.000 . 81 31 31 ILE CD1 C 11.562 0.000 . 82 31 31 ILE CG1 C 23.112 0.000 . 83 31 31 ILE CG2 C 15.900 0.000 . 84 31 31 ILE N N 117.905 0.014 . 85 32 32 THR H H 9.094 0.003 . 86 32 32 THR HA H 4.868 0.000 . 87 32 32 THR HB H 3.998 0.001 . 88 32 32 THR HG2 H 1.194 0.012 . 89 32 32 THR CA C 58.610 0.069 . 90 32 32 THR CB C 67.693 0.000 . 91 32 32 THR CG2 C 19.901 0.000 . 92 32 32 THR N N 117.405 0.011 . 93 33 33 MET H H 8.640 0.014 . 94 33 33 MET HA H 5.181 0.005 . 95 33 33 MET HB2 H 1.521 0.002 . 96 33 33 MET HB3 H 1.884 0.005 . 97 33 33 MET HE H 1.720 0.000 . 98 33 33 MET HG2 H 2.207 0.006 . 99 33 33 MET HG3 H 2.276 0.000 . 100 33 33 MET CA C 51.369 0.045 . 101 33 33 MET CB C 33.299 0.055 . 102 33 33 MET CE C 14.774 0.000 . 103 33 33 MET CG C 29.081 0.004 . 104 33 33 MET N N 123.305 0.012 . 105 34 34 LYS H H 8.890 0.002 . 106 34 34 LYS HA H 4.800 0.001 . 107 34 34 LYS HB2 H 1.643 0.003 . 108 34 34 LYS HB3 H 1.735 0.001 . 109 34 34 LYS HD2 H 1.459 0.001 . 110 34 34 LYS HD3 H 1.534 0.004 . 111 34 34 LYS HE2 H 2.770 0.001 . 112 34 34 LYS HE3 H 2.770 0.001 . 113 34 34 LYS HG2 H 1.230 0.002 . 114 34 34 LYS HG3 H 1.230 0.002 . 115 34 34 LYS CA C 52.580 0.000 . 116 34 34 LYS CB C 33.310 0.000 . 117 34 34 LYS CD C 26.891 0.000 . 118 34 34 LYS CE C 39.655 0.000 . 119 34 34 LYS CG C 23.056 0.000 . 120 34 34 LYS N N 120.398 0.007 . 121 35 35 ASN H H 8.360 0.000 . 122 35 35 ASN HA H 4.292 0.001 . 123 35 35 ASN HB2 H 2.782 0.003 . 124 35 35 ASN HB3 H 3.501 0.008 . 125 35 35 ASN HD21 H 6.685 0.002 . 126 35 35 ASN HD22 H 7.834 0.003 . 127 35 35 ASN CA C 51.414 0.000 . 128 35 35 ASN CB C 35.592 0.028 . 129 35 35 ASN N N 115.303 0.004 . 130 35 35 ASN ND2 N 112.801 0.008 . 131 38 38 GLU H H 8.390 0.008 . 132 38 38 GLU HA H 3.613 0.004 . 133 38 38 GLU HB2 H 1.788 0.001 . 134 38 38 GLU HB3 H 1.788 0.001 . 135 38 38 GLU HG2 H 2.107 0.004 . 136 38 38 GLU HG3 H 2.107 0.004 . 137 38 38 GLU CA C 55.367 0.000 . 138 38 38 GLU CB C 26.831 0.000 . 139 38 38 GLU CG C 29.253 0.000 . 140 38 38 GLU N N 120.307 0.014 . 141 39 39 GLY H H 8.327 0.002 . 142 39 39 GLY HA2 H 3.503 0.006 . 143 39 39 GLY HA3 H 4.041 0.007 . 144 39 39 GLY CA C 42.578 0.028 . 145 39 39 GLY N N 112.084 0.022 . 146 40 40 CYS H H 7.503 0.003 . 147 40 40 CYS HA H 4.409 0.007 . 148 40 40 CYS HB2 H 2.844 0.009 . 149 40 40 CYS HB3 H 2.948 0.000 . 150 40 40 CYS CA C 57.132 0.000 . 151 40 40 CYS CB C 25.422 0.000 . 152 40 40 CYS N N 119.002 0.006 . 153 41 41 SER H H 9.441 0.002 . 154 41 41 SER HA H 5.024 0.003 . 155 41 41 SER HB2 H 3.804 0.001 . 156 41 41 SER HB3 H 4.148 0.003 . 157 41 41 SER CA C 53.463 0.005 . 158 41 41 SER CB C 65.154 0.006 . 159 41 41 SER N N 122.403 0.020 . 160 42 42 TRP H H 8.857 0.006 . 161 42 42 TRP HA H 4.021 0.007 . 162 42 42 TRP HB2 H 3.084 0.016 . 163 42 42 TRP HB3 H 3.364 0.012 . 164 42 42 TRP HD1 H 7.489 0.013 . 165 42 42 TRP HE1 H 10.212 0.000 . 166 42 42 TRP HH2 H 6.892 0.003 . 167 42 42 TRP HZ2 H 7.408 0.003 . 168 42 42 TRP HZ3 H 7.117 0.007 . 169 42 42 TRP CA C 57.715 0.000 . 170 42 42 TRP CB C 24.746 0.000 . 171 42 42 TRP CD1 C 126.052 0.000 . 172 42 42 TRP CH2 C 119.434 0.000 . 173 42 42 TRP CZ2 C 112.652 0.000 . 174 42 42 TRP CZ3 C 122.278 0.000 . 175 42 42 TRP N N 119.811 0.026 . 176 42 42 TRP NE1 N 130.160 0.000 . 177 43 43 GLN H H 7.415 0.008 . 178 43 43 GLN HA H 4.088 0.015 . 179 43 43 GLN HB2 H 2.073 0.000 . 180 43 43 GLN HB3 H 2.147 0.000 . 181 43 43 GLN HG2 H 2.350 0.000 . 182 43 43 GLN HG3 H 2.350 0.000 . 183 43 43 GLN CA C 56.220 0.000 . 184 43 43 GLN CB C 26.777 0.000 . 185 43 43 GLN CG C 33.874 0.000 . 186 43 43 GLN N N 124.734 0.066 . 187 44 44 ASP H H 7.513 0.005 . 188 44 44 ASP HA H 4.309 0.008 . 189 44 44 ASP HB2 H 2.643 0.004 . 190 44 44 ASP HB3 H 3.272 0.004 . 191 44 44 ASP CA C 54.783 0.000 . 192 44 44 ASP CB C 38.775 0.000 . 193 44 44 ASP N N 119.499 0.002 . 194 45 45 LEU H H 7.241 0.001 . 195 45 45 LEU HA H 3.839 0.000 . 196 45 45 LEU HB2 H 1.371 0.002 . 197 45 45 LEU HB3 H 1.829 0.009 . 198 45 45 LEU HD1 H 0.671 0.005 . 199 45 45 LEU HD2 H 0.895 0.001 . 200 45 45 LEU HG H 1.607 0.001 . 201 45 45 LEU CA C 54.882 0.106 . 202 45 45 LEU CB C 39.170 0.000 . 203 45 45 LEU CD1 C 20.858 0.000 . 204 45 45 LEU CD2 C 20.239 0.000 . 205 45 45 LEU CG C 24.577 0.000 . 206 45 45 LEU N N 117.297 0.008 . 207 46 46 LYS H H 7.386 0.004 . 208 46 46 LYS HA H 3.823 0.000 . 209 46 46 LYS HB2 H 1.872 0.003 . 210 46 46 LYS HB3 H 1.872 0.003 . 211 46 46 LYS HD2 H 2.836 0.001 . 212 46 46 LYS HD3 H 2.948 0.003 . 213 46 46 LYS HG2 H 1.349 0.000 . 214 46 46 LYS HG3 H 1.565 0.004 . 215 46 46 LYS CA C 57.513 0.000 . 216 46 46 LYS CB C 29.295 0.000 . 217 46 46 LYS CD C 25.460 0.057 . 218 46 46 LYS CG C 22.605 0.000 . 219 46 46 LYS N N 118.796 0.009 . 220 47 47 ASP H H 8.266 0.010 . 221 47 47 ASP HA H 4.346 0.006 . 222 47 47 ASP HB2 H 2.667 0.003 . 223 47 47 ASP HB3 H 2.818 0.001 . 224 47 47 ASP CA C 54.968 0.000 . 225 47 47 ASP CB C 37.355 0.006 . 226 47 47 ASP N N 120.898 0.005 . 227 48 48 LEU H H 7.920 0.007 . 228 48 48 LEU HA H 3.979 0.001 . 229 48 48 LEU HB2 H 1.102 0.005 . 230 48 48 LEU HB3 H 1.640 0.003 . 231 48 48 LEU HD1 H 0.038 0.007 . 232 48 48 LEU HD2 H 0.460 0.007 . 233 48 48 LEU HG H 1.022 0.007 . 234 48 48 LEU CA C 55.091 0.000 . 235 48 48 LEU CB C 38.831 0.000 . 236 48 48 LEU CD1 C 22.098 0.000 . 237 48 48 LEU CD2 C 19.732 0.000 . 238 48 48 LEU CG C 24.049 0.000 . 239 48 48 LEU N N 122.703 0.009 . 240 49 49 ALA H H 7.963 0.003 . 241 49 49 ALA HA H 3.862 0.006 . 242 49 49 ALA HB H 1.580 0.003 . 243 49 49 ALA CA C 53.611 0.000 . 244 49 49 ALA CB C 15.450 0.000 . 245 49 49 ALA N N 121.209 0.018 . 246 50 50 ARG H H 8.396 0.006 . 247 50 50 ARG HA H 4.015 0.000 . 248 50 50 ARG HB2 H 2.035 0.002 . 249 50 50 ARG HB3 H 2.035 0.002 . 250 50 50 ARG HD2 H 3.183 0.003 . 251 50 50 ARG HD3 H 3.247 0.002 . 252 50 50 ARG HG2 H 1.602 0.004 . 253 50 50 ARG HG3 H 1.734 0.002 . 254 50 50 ARG CA C 57.401 0.000 . 255 50 50 ARG CB C 27.177 0.000 . 256 50 50 ARG CD C 40.570 0.000 . 257 50 50 ARG CG C 24.659 0.000 . 258 50 50 ARG N N 120.591 0.025 . 259 51 51 GLU H H 8.612 0.004 . 260 51 51 GLU HA H 4.059 0.012 . 261 51 51 GLU HB2 H 2.064 0.009 . 262 51 51 GLU HB3 H 2.136 0.007 . 263 51 51 GLU HG2 H 2.292 0.027 . 264 51 51 GLU HG3 H 2.351 0.003 . 265 51 51 GLU CA C 56.224 0.000 . 266 51 51 GLU CB C 26.770 0.006 . 267 51 51 GLU CG C 33.865 0.004 . 268 51 51 GLU N N 121.009 0.020 . 269 52 52 ASN H H 7.321 0.015 . 270 52 52 ASN HB2 H 2.311 0.019 . 271 52 52 ASN HB3 H 2.684 0.008 . 272 52 52 ASN HD21 H 7.162 0.004 . 273 52 52 ASN HD22 H 7.437 0.003 . 274 52 52 ASN CB C 38.426 0.000 . 275 52 52 ASN N N 116.235 0.015 . 276 52 52 ASN ND2 N 114.500 0.000 . 277 53 53 SER H H 7.960 0.010 . 278 53 53 SER HA H 3.970 0.006 . 279 53 53 SER HB2 H 3.904 0.001 . 280 53 53 SER HB3 H 4.062 0.000 . 281 53 53 SER CA C 56.445 0.000 . 282 53 53 SER CB C 58.636 0.007 . 283 53 53 SER N N 110.299 0.046 . 284 54 54 LEU H H 7.874 0.024 . 285 54 54 LEU HB2 H 1.023 0.002 . 286 54 54 LEU HB3 H 1.731 0.002 . 287 54 54 LEU HD1 H 0.998 0.001 . 288 54 54 LEU HD2 H 0.670 0.006 . 289 54 54 LEU HG H 1.572 0.011 . 290 54 54 LEU CB C 40.695 0.000 . 291 54 54 LEU CD1 C 15.854 0.000 . 292 54 54 LEU CD2 C 11.706 0.000 . 293 54 54 LEU CG C 22.245 0.000 . 294 54 54 LEU N N 118.801 0.010 . 295 55 55 GLU H H 8.036 0.006 . 296 55 55 GLU HA H 4.277 0.003 . 297 55 55 GLU HB2 H 1.913 0.000 . 298 55 55 GLU HB3 H 1.957 0.000 . 299 55 55 GLU HG2 H 2.141 0.004 . 300 55 55 GLU HG3 H 2.309 0.015 . 301 55 55 GLU CA C 53.566 0.000 . 302 55 55 GLU CB C 28.137 0.004 . 303 55 55 GLU CG C 33.695 0.009 . 304 55 55 GLU N N 125.595 0.010 . 305 56 56 THR H H 7.848 0.009 . 306 56 56 THR HA H 5.131 0.012 . 307 56 56 THR HB H 4.038 0.024 . 308 56 56 THR CA C 56.566 0.000 . 309 56 56 THR CB C 70.316 0.000 . 310 56 56 THR N N 109.587 0.031 . 311 57 57 THR H H 8.556 0.006 . 312 57 57 THR HA H 4.341 0.012 . 313 57 57 THR HB H 4.107 0.000 . 314 57 57 THR HG2 H 0.942 0.008 . 315 57 57 THR CA C 58.883 0.065 . 316 57 57 THR CB C 65.809 0.000 . 317 57 57 THR CG2 C 20.841 0.000 . 318 57 57 THR N N 110.705 0.010 . 319 58 58 PHE H H 7.272 0.002 . 320 58 58 PHE HA H 4.486 0.000 . 321 58 58 PHE HB2 H 2.289 0.016 . 322 58 58 PHE HB3 H 3.140 0.012 . 323 58 58 PHE HD1 H 6.855 0.016 . 324 58 58 PHE HD2 H 6.855 0.016 . 325 58 58 PHE HE1 H 7.084 0.003 . 326 58 58 PHE HE2 H 7.084 0.003 . 327 58 58 PHE CA C 55.898 0.000 . 328 58 58 PHE CB C 39.846 0.000 . 329 58 58 PHE CD1 C 128.682 0.000 . 330 58 58 PHE CE1 C 127.717 0.000 . 331 58 58 PHE N N 120.992 0.016 . 332 59 59 SER H H 6.913 0.003 . 333 59 59 SER HA H 4.983 0.000 . 334 59 59 SER HB2 H 3.654 0.001 . 335 59 59 SER HB3 H 3.724 0.005 . 336 59 59 SER CA C 53.432 0.000 . 337 59 59 SER CB C 63.544 0.023 . 338 59 59 SER N N 117.991 0.017 . 339 60 60 SER H H 8.641 0.002 . 340 60 60 SER HA H 4.980 0.002 . 341 60 60 SER HB2 H 3.712 0.005 . 342 60 60 SER HB3 H 3.712 0.005 . 343 60 60 SER CA C 53.608 0.000 . 344 60 60 SER CB C 63.488 0.000 . 345 60 60 SER N N 114.979 0.016 . 346 61 61 VAL H H 8.279 0.015 . 347 61 61 VAL HA H 4.379 0.002 . 348 61 61 VAL HB H 1.998 0.008 . 349 61 61 VAL HG1 H 0.895 0.004 . 350 61 61 VAL HG2 H 0.821 0.002 . 351 61 61 VAL CA C 59.306 0.000 . 352 61 61 VAL CB C 33.254 0.000 . 353 61 61 VAL CG1 C 18.933 0.000 . 354 61 61 VAL CG2 C 18.944 0.000 . 355 61 61 VAL N N 118.298 0.004 . 356 62 62 ASN H H 8.346 0.012 . 357 62 62 ASN HA H 4.795 0.002 . 358 62 62 ASN HB2 H 2.703 0.005 . 359 62 62 ASN HB3 H 3.120 0.007 . 360 62 62 ASN HD21 H 7.163 0.003 . 361 62 62 ASN HD22 H 7.382 0.005 . 362 62 62 ASN CA C 52.546 0.000 . 363 62 62 ASN CB C 35.049 0.008 . 364 62 62 ASN N N 123.310 0.020 . 365 62 62 ASN ND2 N 113.197 0.007 . 366 63 63 THR H H 8.251 0.009 . 367 63 63 THR N N 116.309 0.009 . 368 64 64 ARG HA H 4.291 0.000 . 369 65 65 ASP H H 9.008 0.005 . 370 65 65 ASP HA H 4.204 0.004 . 371 65 65 ASP HB2 H 1.341 0.002 . 372 65 65 ASP HB3 H 1.444 0.000 . 373 65 65 ASP CA C 50.996 0.000 . 374 65 65 ASP CB C 38.209 0.011 . 375 65 65 ASP N N 116.313 0.029 . 376 66 66 PHE H H 7.781 0.006 . 377 66 66 PHE HA H 4.381 0.006 . 378 66 66 PHE HB2 H 3.077 0.000 . 379 66 66 PHE HB3 H 3.077 0.000 . 380 66 66 PHE HD1 H 7.291 0.013 . 381 66 66 PHE HD2 H 7.291 0.013 . 382 66 66 PHE HE1 H 7.249 0.000 . 383 66 66 PHE HE2 H 7.249 0.000 . 384 66 66 PHE HZ H 7.187 0.002 . 385 66 66 PHE CA C 57.064 0.000 . 386 66 66 PHE CB C 36.146 0.000 . 387 66 66 PHE CD1 C 130.100 0.000 . 388 66 66 PHE CE1 C 129.363 0.000 . 389 66 66 PHE CZ C 128.057 0.000 . 390 66 66 PHE N N 118.792 0.017 . 391 67 67 ASP H H 7.933 0.015 . 392 67 67 ASP HB2 H 2.595 0.235 . 393 67 67 ASP CB C 38.550 0.000 . 394 67 67 ASP N N 122.952 0.084 . 395 68 68 GLY H H 6.892 0.004 . 396 68 68 GLY HA2 H 3.646 0.001 . 397 68 68 GLY HA3 H 4.097 0.001 . 398 68 68 GLY CA C 43.870 0.004 . 399 68 68 GLY N N 107.311 0.019 . 400 69 69 THR H H 7.683 0.009 . 401 69 69 THR HA H 5.611 0.007 . 402 69 69 THR HB H 4.216 0.000 . 403 69 69 THR HG2 H 1.132 0.005 . 404 69 69 THR CA C 57.692 0.000 . 405 69 69 THR CB C 70.384 0.000 . 406 69 69 THR CG2 C 19.073 0.000 . 407 69 69 THR N N 108.894 0.008 . 408 70 70 GLY H H 8.466 0.011 . 409 70 70 GLY HA2 H 3.844 0.005 . 410 70 70 GLY HA3 H 3.844 0.005 . 411 70 70 GLY CA C 43.193 0.000 . 412 70 70 GLY N N 107.708 0.017 . 413 71 71 ALA H H 9.182 0.004 . 414 71 71 ALA HA H 5.320 0.001 . 415 71 71 ALA HB H 1.339 0.001 . 416 71 71 ALA CA C 49.486 0.000 . 417 71 71 ALA CB C 20.002 0.000 . 418 71 71 ALA N N 123.174 0.018 . 419 72 72 LEU H H 7.871 0.012 . 420 72 72 LEU HA H 4.840 0.004 . 421 72 72 LEU HB2 H 0.862 0.002 . 422 72 72 LEU HB3 H 1.332 0.007 . 423 72 72 LEU HD1 H 0.907 0.005 . 424 72 72 LEU HD2 H 1.349 0.013 . 425 72 72 LEU HG H 1.603 0.001 . 426 72 72 LEU CA C 50.906 0.000 . 427 72 72 LEU CB C 46.371 0.015 . 428 72 72 LEU CD1 C 21.750 0.000 . 429 72 72 LEU CD2 C 20.016 0.000 . 430 72 72 LEU CG C 24.383 0.000 . 431 72 72 LEU N N 116.902 0.006 . 432 73 73 GLU H H 7.953 0.194 . 433 73 73 GLU HA H 5.315 0.007 . 434 73 73 GLU HB2 H 1.305 0.004 . 435 73 73 GLU HB3 H 1.441 0.004 . 436 73 73 GLU HG2 H 2.014 0.007 . 437 73 73 GLU HG3 H 2.014 0.007 . 438 73 73 GLU CA C 51.272 0.042 . 439 73 73 GLU CB C 29.789 0.000 . 440 73 73 GLU CG C 37.226 0.000 . 441 73 73 GLU N N 116.302 0.004 . 442 74 74 PHE H H 8.618 0.002 . 443 74 74 PHE HA H 5.271 0.001 . 444 74 74 PHE HB2 H 2.534 0.004 . 445 74 74 PHE HB3 H 3.345 0.007 . 446 74 74 PHE CA C 52.983 0.000 . 447 74 74 PHE CB C 39.423 0.000 . 448 74 74 PHE N N 117.915 0.030 . 449 75 75 PRO HA H 3.885 0.000 . 450 76 76 SER H H 6.802 0.018 . 451 76 76 SER HA H 4.197 0.001 . 452 76 76 SER HB2 H 3.687 0.003 . 453 76 76 SER HB3 H 4.005 0.002 . 454 76 76 SER CA C 53.234 0.019 . 455 76 76 SER CB C 63.913 0.014 . 456 76 76 SER N N 107.316 0.023 . 457 77 77 GLU H H 7.979 0.004 . 458 77 77 GLU HA H 3.349 0.005 . 459 77 77 GLU HB2 H 1.612 0.003 . 460 77 77 GLU HB3 H 1.801 0.003 . 461 77 77 GLU HG2 H 2.002 0.012 . 462 77 77 GLU HG3 H 2.264 0.004 . 463 77 77 GLU CA C 55.793 0.000 . 464 77 77 GLU CB C 26.881 0.001 . 465 77 77 GLU CG C 33.310 0.028 . 466 77 77 GLU N N 122.007 0.020 . 467 78 78 GLU H H 8.446 0.010 . 468 78 78 GLU HA H 3.739 0.010 . 469 78 78 GLU HB2 H 1.793 0.004 . 470 78 78 GLU HB3 H 1.907 0.006 . 471 78 78 GLU HG2 H 2.073 0.008 . 472 78 78 GLU HG3 H 2.279 0.004 . 473 78 78 GLU CA C 57.873 0.000 . 474 78 78 GLU CB C 26.295 0.000 . 475 78 78 GLU CG C 33.507 0.000 . 476 78 78 GLU N N 116.705 0.014 . 477 79 79 ILE H H 7.210 0.015 . 478 79 79 ILE HA H 3.631 0.016 . 479 79 79 ILE HB H 1.485 0.004 . 480 79 79 ILE HD1 H 0.908 0.004 . 481 79 79 ILE HG12 H 1.086 0.001 . 482 79 79 ILE HG13 H 1.456 0.003 . 483 79 79 ILE HG2 H 1.044 0.003 . 484 79 79 ILE CA C 61.653 0.000 . 485 79 79 ILE CB C 35.972 0.000 . 486 79 79 ILE CD1 C 18.971 0.000 . 487 79 79 ILE CG1 C 26.859 0.000 . 488 79 79 ILE CG2 C 18.915 0.000 . 489 79 79 ILE N N 119.193 0.013 . 490 80 80 LEU H H 7.068 0.005 . 491 80 80 LEU HA H 3.096 0.004 . 492 80 80 LEU HB2 H 1.459 0.004 . 493 80 80 LEU HB3 H 2.086 0.003 . 494 80 80 LEU HD1 H 0.965 0.007 . 495 80 80 LEU HD2 H 0.894 0.004 . 496 80 80 LEU HG H 1.443 0.003 . 497 80 80 LEU CA C 56.498 0.000 . 498 80 80 LEU CB C 38.713 0.004 . 499 80 80 LEU CD1 C 25.394 0.000 . 500 80 80 LEU CD2 C 23.816 0.000 . 501 80 80 LEU CG C 25.059 0.000 . 502 80 80 LEU N N 121.516 0.023 . 503 81 81 VAL H H 8.292 0.005 . 504 81 81 VAL HA H 3.360 0.001 . 505 81 81 VAL HB H 1.990 0.008 . 506 81 81 VAL HG1 H 0.885 0.009 . 507 81 81 VAL HG2 H 0.956 0.007 . 508 81 81 VAL CA C 64.582 0.000 . 509 81 81 VAL CB C 29.028 0.000 . 510 81 81 VAL CG1 C 23.793 0.000 . 511 81 81 VAL CG2 C 20.522 0.000 . 512 81 81 VAL N N 117.702 0.004 . 513 82 82 GLU H H 7.161 0.007 . 514 82 82 GLU HA H 3.968 0.001 . 515 82 82 GLU HB2 H 1.774 0.001 . 516 82 82 GLU HB3 H 2.006 0.007 . 517 82 82 GLU HG2 H 2.083 0.002 . 518 82 82 GLU HG3 H 2.274 0.003 . 519 82 82 GLU CA C 56.608 0.000 . 520 82 82 GLU CB C 26.806 0.038 . 521 82 82 GLU CG C 33.581 0.030 . 522 82 82 GLU N N 120.120 0.023 . 523 83 83 ALA H H 8.409 0.001 . 524 83 83 ALA HA H 3.585 0.005 . 525 83 83 ALA HB H 0.887 0.003 . 526 83 83 ALA CA C 52.910 0.000 . 527 83 83 ALA CB C 17.971 0.000 . 528 83 83 ALA N N 122.617 0.025 . 529 84 84 LEU H H 8.074 0.003 . 530 84 84 LEU HA H 3.706 0.004 . 531 84 84 LEU HB2 H 1.369 0.000 . 532 84 84 LEU HB3 H 1.893 0.008 . 533 84 84 LEU HD1 H 0.835 0.003 . 534 84 84 LEU HD2 H 0.693 0.002 . 535 84 84 LEU HG H 1.743 0.001 . 536 84 84 LEU CA C 55.139 0.000 . 537 84 84 LEU CB C 39.243 0.004 . 538 84 84 LEU CD1 C 23.931 0.000 . 539 84 84 LEU CD2 C 20.947 0.000 . 540 84 84 LEU CG C 24.045 0.000 . 541 84 84 LEU N N 116.107 0.017 . 542 85 85 GLU H H 7.092 0.007 . 543 85 85 GLU HA H 4.123 0.003 . 544 85 85 GLU HB2 H 2.051 0.002 . 545 85 85 GLU HB3 H 2.051 0.002 . 546 85 85 GLU HG2 H 1.999 0.015 . 547 85 85 GLU HG3 H 2.157 0.001 . 548 85 85 GLU CA C 55.601 0.000 . 549 85 85 GLU CB C 27.708 0.000 . 550 85 85 GLU CG C 33.401 0.008 . 551 85 85 GLU N N 115.503 0.009 . 552 86 86 ARG H H 8.455 0.007 . 553 86 86 ARG HA H 4.109 0.002 . 554 86 86 ARG HB2 H 1.615 0.005 . 555 86 86 ARG HB3 H 1.728 0.004 . 556 86 86 ARG HD2 H 2.961 0.005 . 557 86 86 ARG HD3 H 2.961 0.005 . 558 86 86 ARG HG2 H 1.698 0.005 . 559 86 86 ARG HG3 H 1.817 0.001 . 560 86 86 ARG CA C 55.910 0.000 . 561 86 86 ARG CB C 29.422 0.028 . 562 86 86 ARG CD C 41.104 0.000 . 563 86 86 ARG CG C 25.403 0.000 . 564 86 86 ARG N N 116.107 0.020 . 565 87 87 LEU H H 8.246 0.003 . 566 87 87 LEU HA H 4.304 0.009 . 567 87 87 LEU HB2 H 1.271 0.001 . 568 87 87 LEU HB3 H 1.681 0.003 . 569 87 87 LEU HD1 H 0.471 0.007 . 570 87 87 LEU HD2 H 0.796 0.004 . 571 87 87 LEU HG H 1.512 0.000 . 572 87 87 LEU CA C 51.369 0.000 . 573 87 87 LEU CB C 39.831 0.014 . 574 87 87 LEU CD1 C 19.554 0.000 . 575 87 87 LEU CD2 C 15.196 0.000 . 576 87 87 LEU CG C 24.302 0.000 . 577 87 87 LEU N N 111.801 0.004 . 578 88 88 ASN H H 6.546 0.005 . 579 88 88 ASN HA H 4.512 0.004 . 580 88 88 ASN HB2 H 2.790 0.008 . 581 88 88 ASN HB3 H 2.875 0.005 . 582 88 88 ASN HD21 H 6.765 0.002 . 583 88 88 ASN HD22 H 7.567 0.002 . 584 88 88 ASN CB C 36.754 0.008 . 585 88 88 ASN N N 112.900 0.000 . 586 88 88 ASN ND2 N 112.003 0.006 . 587 89 89 ASN H H 8.682 0.003 . 588 89 89 ASN HA H 4.341 0.007 . 589 89 89 ASN HB2 H 2.852 0.005 . 590 89 89 ASN HB3 H 2.903 0.025 . 591 89 89 ASN HD21 H 6.576 0.001 . 592 89 89 ASN HD22 H 7.376 0.004 . 593 89 89 ASN CA C 52.383 0.000 . 594 89 89 ASN CB C 34.465 0.000 . 595 89 89 ASN N N 121.194 0.016 . 596 89 89 ASN ND2 N 112.507 0.014 . 597 90 90 ILE H H 7.070 0.000 . 598 90 90 ILE HA H 4.381 0.000 . 599 90 90 ILE HB H 1.749 0.002 . 600 90 90 ILE HD1 H 0.829 0.001 . 601 90 90 ILE HG12 H 1.200 0.005 . 602 90 90 ILE HG13 H 1.320 0.003 . 603 90 90 ILE HG2 H 0.792 0.001 . 604 90 90 ILE CA C 58.043 0.000 . 605 90 90 ILE CB C 37.340 0.000 . 606 90 90 ILE CD1 C 12.266 0.000 . 607 90 90 ILE CG1 C 24.526 0.014 . 608 90 90 ILE CG2 C 15.159 0.000 . 609 90 90 ILE N N 114.505 0.014 . 610 91 91 GLU H H 8.213 0.009 . 611 91 91 GLU HB2 H 1.794 0.005 . 612 91 91 GLU HB3 H 1.942 0.004 . 613 91 91 GLU HG2 H 1.865 0.002 . 614 91 91 GLU HG3 H 2.043 0.001 . 615 91 91 GLU CB C 27.805 0.012 . 616 91 91 GLU CG C 34.412 0.007 . 617 91 91 GLU N N 122.898 0.005 . 618 92 92 PHE H H 9.283 0.143 . 619 92 92 PHE HA H 4.921 0.011 . 620 92 92 PHE HB2 H 2.782 0.007 . 621 92 92 PHE HB3 H 2.839 0.004 . 622 92 92 PHE HD1 H 7.106 0.006 . 623 92 92 PHE HD2 H 7.106 0.006 . 624 92 92 PHE HE1 H 7.253 0.003 . 625 92 92 PHE HE2 H 7.253 0.003 . 626 92 92 PHE HZ H 6.962 0.003 . 627 92 92 PHE CA C 53.004 0.024 . 628 92 92 PHE CB C 38.691 0.000 . 629 92 92 PHE CD1 C 128.852 0.000 . 630 92 92 PHE CE1 C 128.795 0.000 . 631 92 92 PHE CZ C 126.865 0.000 . 632 92 92 PHE N N 127.869 0.080 . 633 93 93 ARG H H 9.083 0.004 . 634 93 93 ARG HA H 3.562 0.001 . 635 93 93 ARG HB2 H 1.619 0.002 . 636 93 93 ARG HB3 H 1.619 0.002 . 637 93 93 ARG CA C 54.090 0.000 . 638 93 93 ARG CB C 25.056 0.000 . 639 93 93 ARG N N 124.115 0.018 . 640 94 94 GLY H H 8.503 0.010 . 641 94 94 GLY HA2 H 3.561 0.002 . 642 94 94 GLY HA3 H 4.134 0.000 . 643 94 94 GLY CA C 42.804 0.000 . 644 94 94 GLY N N 103.429 0.028 . 645 95 95 SER H H 7.784 0.004 . 646 95 95 SER HB2 H 3.581 0.002 . 647 95 95 SER HB3 H 3.990 0.010 . 648 95 95 SER CB C 63.253 0.000 . 649 95 95 SER N N 116.996 0.009 . 650 96 96 VAL H H 8.388 0.004 . 651 96 96 VAL HA H 4.429 0.003 . 652 96 96 VAL HB H 1.875 0.000 . 653 96 96 VAL HG1 H 0.819 0.005 . 654 96 96 VAL HG2 H 0.660 0.010 . 655 96 96 VAL CA C 59.506 0.000 . 656 96 96 VAL CB C 28.658 0.000 . 657 96 96 VAL CG1 C 18.915 0.000 . 658 96 96 VAL CG2 C 18.509 0.000 . 659 96 96 VAL N N 125.186 0.016 . 660 97 97 ILE H H 8.710 0.004 . 661 97 97 ILE HB H 2.000 0.006 . 662 97 97 ILE HD1 H 0.661 0.002 . 663 97 97 ILE HG12 H 1.345 0.002 . 664 97 97 ILE HG13 H 1.558 0.001 . 665 97 97 ILE HG2 H 0.988 0.010 . 666 97 97 ILE CB C 37.107 0.000 . 667 97 97 ILE CD1 C 11.687 0.000 . 668 97 97 ILE CG1 C 24.169 0.005 . 669 97 97 ILE CG2 C 15.850 0.000 . 670 97 97 ILE N N 127.642 0.016 . 671 98 98 THR H H 7.827 0.005 . 672 98 98 THR HA H 4.957 0.000 . 673 98 98 THR HB H 4.152 0.005 . 674 98 98 THR HG2 H 1.143 0.005 . 675 98 98 THR CA C 57.563 0.014 . 676 98 98 THR CB C 69.094 0.000 . 677 98 98 THR CG2 C 19.211 0.000 . 678 98 98 THR N N 112.609 0.017 . 679 99 99 VAL H H 8.218 0.004 . 680 99 99 VAL HA H 5.539 0.005 . 681 99 99 VAL HB H 1.917 0.008 . 682 99 99 VAL HG1 H 0.788 0.005 . 683 99 99 VAL HG2 H 0.712 0.009 . 684 99 99 VAL CA C 55.898 0.000 . 685 99 99 VAL CB C 33.169 0.000 . 686 99 99 VAL CG1 C 21.112 0.000 . 687 99 99 VAL CG2 C 17.341 0.000 . 688 99 99 VAL N N 113.202 0.004 . 689 100 100 GLU H H 8.359 0.008 . 690 100 100 GLU HA H 4.560 0.011 . 691 100 100 GLU HB2 H 1.837 0.003 . 692 100 100 GLU HB3 H 1.998 0.001 . 693 100 100 GLU HG2 H 2.160 0.005 . 694 100 100 GLU HG3 H 2.160 0.005 . 695 100 100 GLU CA C 51.931 0.000 . 696 100 100 GLU CB C 31.365 0.004 . 697 100 100 GLU CG C 33.254 0.000 . 698 100 100 GLU N N 118.204 0.011 . 699 101 101 ARG H H 9.047 0.013 . 700 101 101 ARG HA H 4.250 0.003 . 701 101 101 ARG HB2 H 1.742 0.003 . 702 101 101 ARG HB3 H 1.881 0.002 . 703 101 101 ARG HD2 H 3.084 0.001 . 704 101 101 ARG HD3 H 3.188 0.009 . 705 101 101 ARG HG2 H 1.636 0.005 . 706 101 101 ARG HG3 H 1.636 0.005 . 707 101 101 ARG CA C 55.410 0.000 . 708 101 101 ARG CB C 28.859 0.000 . 709 101 101 ARG CD C 40.916 0.000 . 710 101 101 ARG CG C 24.577 0.000 . 711 101 101 ARG N N 123.502 0.008 . 712 102 102 ASP H H 8.460 0.001 . 713 102 102 ASP HA H 4.784 0.003 . 714 102 102 ASP HB2 H 2.393 0.005 . 715 102 102 ASP HB3 H 2.475 0.003 . 716 102 102 ASP CA C 50.517 0.045 . 717 102 102 ASP CB C 38.888 0.000 . 718 102 102 ASP N N 125.507 0.016 . 719 103 103 ASP H H 8.563 0.006 . 720 103 103 ASP HA H 4.800 0.001 . 721 103 103 ASP HB2 H 2.473 0.002 . 722 103 103 ASP HB3 H 2.741 0.001 . 723 103 103 ASP CA C 52.580 0.000 . 724 103 103 ASP CB C 39.226 0.000 . 725 103 103 ASP N N 123.795 0.010 . 726 104 104 ASN H H 8.440 0.003 . 727 104 104 ASN HA H 4.919 0.001 . 728 104 104 ASN HB2 H 2.522 0.003 . 729 104 104 ASN HB3 H 2.660 0.004 . 730 104 104 ASN HD21 H 6.780 0.001 . 731 104 104 ASN HD22 H 7.599 0.005 . 732 104 104 ASN CA C 48.939 0.000 . 733 104 104 ASN CB C 36.650 0.023 . 734 104 104 ASN N N 118.510 0.017 . 735 104 104 ASN ND2 N 113.493 0.015 . stop_ save_