data_18901 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the C-terminal domain of the protein HCFC1 from MUS MUSCULUS ; _BMRB_accession_number 18901 _BMRB_flat_file_name bmr18901.str _Entry_type original _Submission_date 2012-12-14 _Accession_date 2012-12-14 _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 Dutta Samit K. . 4 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" 616 "13C chemical shifts" 464 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-15 original author . stop_ _Original_release_date 2013-02-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the C-terminal domain of the protein HCFC1 from MUS MUSCULUS' _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 . . 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 'C-terminal domain of the protein HCFC1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C-terminal domain of the protein HCFC1' $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 13347.151 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; GCLPGFPGAPCAIKISKSPD GAHLTWEPPSVTSGKIIEYS VYLAIQSSQASGEPKSSTPA QLAFMRVYCGPSPSCLVQSS SLSNAHIDYTTKPAIIFRIA ARNEKGYGPATQVRWLQETS KDSSGT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 CYS 3 3 LEU 4 4 PRO 5 5 GLY 6 6 PHE 7 7 PRO 8 8 GLY 9 9 ALA 10 10 PRO 11 11 CYS 12 12 ALA 13 13 ILE 14 14 LYS 15 15 ILE 16 16 SER 17 17 LYS 18 18 SER 19 19 PRO 20 20 ASP 21 21 GLY 22 22 ALA 23 23 HIS 24 24 LEU 25 25 THR 26 26 TRP 27 27 GLU 28 28 PRO 29 29 PRO 30 30 SER 31 31 VAL 32 32 THR 33 33 SER 34 34 GLY 35 35 LYS 36 36 ILE 37 37 ILE 38 38 GLU 39 39 TYR 40 40 SER 41 41 VAL 42 42 TYR 43 43 LEU 44 44 ALA 45 45 ILE 46 46 GLN 47 47 SER 48 48 SER 49 49 GLN 50 50 ALA 51 51 SER 52 52 GLY 53 53 GLU 54 54 PRO 55 55 LYS 56 56 SER 57 57 SER 58 58 THR 59 59 PRO 60 60 ALA 61 61 GLN 62 62 LEU 63 63 ALA 64 64 PHE 65 65 MET 66 66 ARG 67 67 VAL 68 68 TYR 69 69 CYS 70 70 GLY 71 71 PRO 72 72 SER 73 73 PRO 74 74 SER 75 75 CYS 76 76 LEU 77 77 VAL 78 78 GLN 79 79 SER 80 80 SER 81 81 SER 82 82 LEU 83 83 SER 84 84 ASN 85 85 ALA 86 86 HIS 87 87 ILE 88 88 ASP 89 89 TYR 90 90 THR 91 91 THR 92 92 LYS 93 93 PRO 94 94 ALA 95 95 ILE 96 96 ILE 97 97 PHE 98 98 ARG 99 99 ILE 100 100 ALA 101 101 ALA 102 102 ARG 103 103 ASN 104 104 GLU 105 105 LYS 106 106 GLY 107 107 TYR 108 108 GLY 109 109 PRO 110 110 ALA 111 111 THR 112 112 GLN 113 113 VAL 114 114 ARG 115 115 TRP 116 116 LEU 117 117 GLN 118 118 GLU 119 119 THR 120 120 SER 121 121 LYS 122 122 ASP 123 123 SER 124 124 SER 125 125 GLY 126 126 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M26 "Nmr Structure Of The C-terminal Domain Of The Protein Hcfc1 From Mus Musculus" 100.00 126 100.00 100.00 2.79e-85 PDB 4GO6 "Crystal Structure Of Hcf-1 Self-association Sequence 1" 99.21 232 97.60 97.60 3.97e-80 DBJ BAA08258 "HCF [Mesocricetus auratus]" 99.21 2090 99.20 99.20 2.74e-77 EMBL CAA55790 "host cell factor [Homo sapiens]" 99.21 1938 98.40 98.40 3.75e-76 GB AAB01163 "transcription factor C1 (HCF) [Mus musculus]" 99.21 2045 100.00 100.00 7.07e-78 GB AAB27583 "HCF, C1, VCAF, CFF=VP16 accessory protein host cell factor [human, HeLa cell, Peptide, 2035 aa]" 99.21 2035 98.40 98.40 8.65e-76 GB AAD09225 "C1 transcription factor [Mus musculus]" 99.21 2045 100.00 100.00 8.51e-78 GB AAH53742 "Host cell factor C1 [Mus musculus]" 99.21 2045 100.00 100.00 6.61e-78 GB ABX10979 "host cell factor C1 (predicted) [Papio anubis]" 99.21 2035 98.40 98.40 8.24e-76 REF NP_001132979 "host cell factor 1 [Rattus norvegicus]" 99.21 2034 100.00 100.00 7.36e-78 REF NP_001162266 "host cell factor 1 [Papio anubis]" 99.21 2035 98.40 98.40 8.24e-76 REF NP_001268286 "host cell factor 1 [Mesocricetus auratus]" 99.21 2090 99.20 99.20 2.74e-77 REF NP_005325 "host cell factor 1 [Homo sapiens]" 99.21 2035 98.40 98.40 8.65e-76 REF NP_032250 "host cell factor 1 precursor [Mus musculus]" 99.21 2045 100.00 100.00 6.61e-78 SP P51610 "RecName: Full=Host cell factor 1; Short=HCF; Short=HCF-1; AltName: Full=C1 factor; AltName: Full=CFF; AltName: Full=VCAF; AltNa" 99.21 2035 98.40 98.40 8.65e-76 SP P51611 "RecName: Full=Host cell factor 1; Short=HCF; Short=HCF-1; AltName: Full=C1 factor; AltName: Full=VCAF; AltName: Full=VP16 acces" 99.21 2090 99.20 99.20 2.74e-77 SP Q61191 "RecName: Full=Host cell factor 1; Short=HCF; Short=HCF-1; AltName: Full=C1 factor; Contains: RecName: Full=HCF N-terminal chain" 99.21 2045 100.00 100.00 6.61e-78 TPG DAA13208 "TPA: Host cell factor (predicted)-like [Bos taurus]" 98.41 1992 97.58 98.39 3.92e-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 Mouse 10090 Eukaryota Metazoa Mus musculus 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 'recombinant technology' . Escherichia coli BL21 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' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G ntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann & Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer 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 6.5 . 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 'C-terminal domain of the protein HCFC1' _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 6 6 PHE H H 7.818 0.000 . 2 6 6 PHE HA H 4.790 0.000 . 3 6 6 PHE HB2 H 2.753 0.000 . 4 6 6 PHE HB3 H 3.075 0.000 . 5 6 6 PHE HD1 H 7.082 0.000 . 6 6 6 PHE HD2 H 7.082 0.000 . 7 6 6 PHE HE1 H 7.169 0.000 . 8 6 6 PHE HE2 H 7.169 0.000 . 9 6 6 PHE CA C 56.026 0.000 . 10 6 6 PHE CB C 38.260 0.000 . 11 6 6 PHE CD1 C 129.792 0.000 . 12 6 6 PHE CD2 C 129.792 0.000 . 13 6 6 PHE CE1 C 129.565 0.000 . 14 6 6 PHE CE2 C 129.565 0.000 . 15 6 6 PHE N N 117.872 0.000 . 16 7 7 PRO HG2 H 1.982 0.000 . 17 7 7 PRO HG3 H 1.982 0.000 . 18 7 7 PRO HD2 H 3.652 0.000 . 19 7 7 PRO HD3 H 3.824 0.000 . 20 7 7 PRO CA C 4.186 0.000 . 21 7 7 PRO CG C 27.621 0.000 . 22 7 7 PRO CD C 50.738 0.000 . 23 8 8 GLY H H 7.927 0.000 . 24 8 8 GLY HA2 H 3.898 0.000 . 25 8 8 GLY HA3 H 4.281 0.000 . 26 8 8 GLY CA C 44.176 0.000 . 27 8 8 GLY N N 101.657 0.000 . 28 9 9 ALA H H 8.235 0.000 . 29 9 9 ALA HA H 4.865 0.000 . 30 9 9 ALA HB H 1.307 0.000 . 31 9 9 ALA CA C 50.198 0.000 . 32 9 9 ALA CB C 18.937 0.000 . 33 9 9 ALA N N 120.767 0.000 . 34 10 10 PRO HA H 4.357 0.000 . 35 10 10 PRO HB2 H 2.272 0.000 . 36 10 10 PRO HB3 H 1.493 0.000 . 37 10 10 PRO HG2 H 1.622 0.000 . 38 10 10 PRO HG3 H 1.622 0.000 . 39 10 10 PRO HD2 H 3.760 0.000 . 40 10 10 PRO HD3 H 4.291 0.000 . 41 10 10 PRO CA C 63.312 0.000 . 42 10 10 PRO CB C 32.811 0.000 . 43 10 10 PRO CG C 28.664 0.000 . 44 10 10 PRO CD C 50.283 0.000 . 45 11 11 CYS H H 8.084 0.000 . 46 11 11 CYS HA H 4.938 0.000 . 47 11 11 CYS HB2 H 2.836 0.000 . 48 11 11 CYS HB3 H 2.931 0.000 . 49 11 11 CYS C C 172.706 0.000 . 50 11 11 CYS CA C 56.838 0.000 . 51 11 11 CYS CB C 32.139 0.000 . 52 11 11 CYS N N 114.905 0.000 . 53 12 12 ALA H H 8.535 0.000 . 54 12 12 ALA HA H 3.927 0.000 . 55 12 12 ALA HB H 1.244 0.000 . 56 12 12 ALA C C 176.005 0.000 . 57 12 12 ALA CA C 52.764 0.000 . 58 12 12 ALA CB C 17.596 0.000 . 59 12 12 ALA N N 120.844 0.000 . 60 13 13 ILE H H 7.802 0.000 . 61 13 13 ILE HA H 4.453 0.000 . 62 13 13 ILE HB H 1.681 0.000 . 63 13 13 ILE HG12 H 1.335 0.000 . 64 13 13 ILE HG13 H 1.032 0.000 . 65 13 13 ILE HG2 H 0.695 0.000 . 66 13 13 ILE HD1 H 0.582 0.000 . 67 13 13 ILE C C 177.506 0.000 . 68 13 13 ILE CA C 62.335 0.000 . 69 13 13 ILE CB C 37.868 0.000 . 70 13 13 ILE CG1 C 29.783 0.000 . 71 13 13 ILE CG2 C 18.901 0.000 . 72 13 13 ILE CD1 C 14.509 0.000 . 73 13 13 ILE N N 116.800 0.000 . 74 14 14 LYS H H 9.249 0.000 . 75 14 14 LYS HA H 4.597 0.000 . 76 14 14 LYS HB2 H 1.594 0.000 . 77 14 14 LYS HB3 H 1.649 0.000 . 78 14 14 LYS HG2 H 1.320 0.000 . 79 14 14 LYS HG3 H 1.237 0.000 . 80 14 14 LYS HD2 H 1.529 0.000 . 81 14 14 LYS HD3 H 1.529 0.000 . 82 14 14 LYS HE2 H 2.879 0.000 . 83 14 14 LYS HE3 H 2.879 0.000 . 84 14 14 LYS C C 175.508 0.000 . 85 14 14 LYS CA C 55.552 0.000 . 86 14 14 LYS CB C 35.288 0.000 . 87 14 14 LYS CG C 24.825 0.000 . 88 14 14 LYS CD C 29.172 0.000 . 89 14 14 LYS CE C 42.387 0.000 . 90 14 14 LYS N N 129.030 0.000 . 91 15 15 ILE H H 8.231 0.000 . 92 15 15 ILE HA H 4.584 0.000 . 93 15 15 ILE HB H 1.054 0.000 . 94 15 15 ILE HG12 H 0.309 0.000 . 95 15 15 ILE HG13 H 1.194 0.000 . 96 15 15 ILE HG2 H -0.542 0.000 . 97 15 15 ILE HD1 H 0.405 0.000 . 98 15 15 ILE C C 175.983 0.000 . 99 15 15 ILE CA C 60.808 0.000 . 100 15 15 ILE CB C 40.620 0.000 . 101 15 15 ILE CG1 C 27.554 0.000 . 102 15 15 ILE CG2 C 16.541 0.000 . 103 15 15 ILE CD1 C 14.816 0.000 . 104 15 15 ILE N N 121.333 0.000 . 105 16 16 SER H H 8.694 0.000 . 106 16 16 SER HA H 4.933 0.000 . 107 16 16 SER HB2 H 3.777 0.000 . 108 16 16 SER HB3 H 3.777 0.000 . 109 16 16 SER C C 173.725 0.000 . 110 16 16 SER CA C 56.656 0.000 . 111 16 16 SER CB C 65.750 0.000 . 112 16 16 SER N N 120.251 0.000 . 113 17 17 LYS H H 8.985 0.000 . 114 17 17 LYS HA H 4.660 0.000 . 115 17 17 LYS HB2 H 2.064 0.000 . 116 17 17 LYS HB3 H 1.998 0.000 . 117 17 17 LYS HG2 H 1.621 0.000 . 118 17 17 LYS HG3 H 1.621 0.000 . 119 17 17 LYS HD2 H 1.777 0.000 . 120 17 17 LYS HD3 H 1.838 0.000 . 121 17 17 LYS HE2 H 3.021 0.000 . 122 17 17 LYS HE3 H 3.021 0.000 . 123 17 17 LYS C C 175.815 0.000 . 124 17 17 LYS CA C 57.275 0.000 . 125 17 17 LYS CB C 34.566 0.000 . 126 17 17 LYS CG C 25.719 0.000 . 127 17 17 LYS CD C 29.678 0.000 . 128 17 17 LYS CE C 42.353 0.000 . 129 17 17 LYS N N 124.155 0.000 . 130 18 18 SER H H 8.555 0.000 . 131 18 18 SER HA H 5.076 0.000 . 132 18 18 SER HB2 H 3.980 0.000 . 133 18 18 SER HB3 H 3.683 0.000 . 134 18 18 SER CA C 56.676 0.000 . 135 18 18 SER CB C 64.993 0.000 . 136 18 18 SER N N 121.663 0.000 . 137 19 19 PRO HA H 4.334 0.000 . 138 19 19 PRO HB2 H 1.841 0.000 . 139 19 19 PRO HB3 H 2.405 0.000 . 140 19 19 PRO HG2 H 1.965 0.000 . 141 19 19 PRO HG3 H 2.081 0.000 . 142 19 19 PRO HD3 H 3.820 0.000 . 143 19 19 PRO C C 177.406 0.000 . 144 19 19 PRO CA C 65.489 0.000 . 145 19 19 PRO CB C 32.065 0.000 . 146 19 19 PRO CG C 28.187 0.000 . 147 19 19 PRO CD C 49.745 0.000 . 148 20 20 ASP H H 8.019 0.000 . 149 20 20 ASP HA H 4.679 0.000 . 150 20 20 ASP HB2 H 2.736 0.000 . 151 20 20 ASP HB3 H 2.587 0.000 . 152 20 20 ASP C C 176.667 0.000 . 153 20 20 ASP CA C 53.558 0.000 . 154 20 20 ASP CB C 41.423 0.000 . 155 20 20 ASP N N 110.573 0.000 . 156 21 21 GLY H H 7.623 0.000 . 157 21 21 GLY HA2 H 4.881 0.000 . 158 21 21 GLY HA3 H 3.619 0.000 . 159 21 21 GLY C C 172.365 0.000 . 160 21 21 GLY CA C 45.730 0.000 . 161 21 21 GLY N N 107.592 0.000 . 162 22 22 ALA H H 8.704 0.000 . 163 22 22 ALA HA H 4.787 0.000 . 164 22 22 ALA HB H 0.777 0.000 . 165 22 22 ALA C C 175.801 0.000 . 166 22 22 ALA CA C 50.779 0.000 . 167 22 22 ALA CB C 21.134 0.000 . 168 22 22 ALA N N 123.764 0.000 . 169 23 23 HIS H H 9.088 0.000 . 170 23 23 HIS HA H 4.981 0.000 . 171 23 23 HIS HB2 H 3.045 0.000 . 172 23 23 HIS HB3 H 2.886 0.000 . 173 23 23 HIS C C 174.199 0.000 . 174 23 23 HIS CA C 54.267 0.000 . 175 23 23 HIS CB C 29.989 0.000 . 176 23 23 HIS N N 120.666 0.000 . 177 24 24 LEU H H 8.702 0.000 . 178 24 24 LEU HA H 5.180 0.000 . 179 24 24 LEU HB2 H 1.441 0.000 . 180 24 24 LEU HB3 H 1.701 0.000 . 181 24 24 LEU HG H 1.090 0.000 . 182 24 24 LEU HD1 H -0.239 0.000 . 183 24 24 LEU HD2 H 0.059 0.000 . 184 24 24 LEU C C 176.430 0.000 . 185 24 24 LEU CA C 55.528 0.000 . 186 24 24 LEU CB C 44.957 0.000 . 187 24 24 LEU CG C 30.288 0.000 . 188 24 24 LEU CD1 C 26.356 0.000 . 189 24 24 LEU CD2 C 24.933 0.000 . 190 24 24 LEU N N 127.467 0.000 . 191 25 25 THR H H 8.643 0.000 . 192 25 25 THR HA H 4.186 0.000 . 193 25 25 THR HB H 3.941 0.000 . 194 25 25 THR HG2 H 0.873 0.000 . 195 25 25 THR C C 172.720 0.000 . 196 25 25 THR CA C 60.798 0.000 . 197 25 25 THR CB C 72.021 0.000 . 198 25 25 THR CG2 C 21.679 0.000 . 199 25 25 THR N N 111.459 0.000 . 200 26 26 TRP H H 7.301 0.000 . 201 26 26 TRP HA H 5.033 0.000 . 202 26 26 TRP HB2 H 3.270 0.000 . 203 26 26 TRP HB3 H 3.031 0.000 . 204 26 26 TRP HD1 H 6.478 0.000 . 205 26 26 TRP HE3 H 7.188 0.000 . 206 26 26 TRP HZ2 H 6.580 0.000 . 207 26 26 TRP HZ3 H 6.340 0.000 . 208 26 26 TRP HH2 H 6.480 0.000 . 209 26 26 TRP C C 173.425 0.000 . 210 26 26 TRP CA C 56.687 0.000 . 211 26 26 TRP CB C 30.157 0.000 . 212 26 26 TRP CD1 C 123.045 0.000 . 213 26 26 TRP CE3 C 118.280 0.000 . 214 26 26 TRP CZ2 C 117.571 0.000 . 215 26 26 TRP CZ3 C 122.590 0.000 . 216 26 26 TRP CH2 C 119.590 0.000 . 217 26 26 TRP N N 117.073 0.000 . 218 26 26 TRP NE1 N 115.620 0.000 . 219 27 27 GLU H H 8.753 0.000 . 220 27 27 GLU HA H 4.822 0.000 . 221 27 27 GLU HB2 H 2.053 0.000 . 222 27 27 GLU HB3 H 1.761 0.000 . 223 27 27 GLU HG2 H 2.265 0.000 . 224 27 27 GLU HG3 H 2.265 0.000 . 225 27 27 GLU CA C 52.889 0.000 . 226 27 27 GLU CB C 30.830 0.000 . 227 27 27 GLU CG C 36.049 0.000 . 228 27 27 GLU N N 115.563 0.000 . 229 28 28 PRO HA H 4.339 0.000 . 230 28 28 PRO HB2 H 1.857 0.000 . 231 28 28 PRO HB3 H 1.857 0.000 . 232 28 28 PRO HG2 H 1.957 0.000 . 233 28 28 PRO HG3 H 2.012 0.000 . 234 28 28 PRO HD2 H 3.658 0.000 . 235 28 28 PRO HD3 H 3.773 0.000 . 236 28 28 PRO CA C 65.547 0.000 . 237 28 28 PRO CB C 32.141 0.000 . 238 28 28 PRO CG C 27.615 0.000 . 239 28 28 PRO CD C 50.690 0.000 . 240 29 29 PRO HA H 4.285 0.000 . 241 29 29 PRO HB2 H 1.820 0.000 . 242 29 29 PRO HB3 H 2.226 0.000 . 243 29 29 PRO HG2 H 2.203 0.000 . 244 29 29 PRO HG3 H 2.203 0.000 . 245 29 29 PRO HD2 H 3.837 0.000 . 246 29 29 PRO HD3 H 3.490 0.000 . 247 29 29 PRO CA C 61.980 0.000 . 248 29 29 PRO CB C 32.884 0.000 . 249 29 29 PRO CG C 27.936 0.000 . 250 29 29 PRO CD C 49.775 0.000 . 251 30 30 SER H H 8.317 0.000 . 252 30 30 SER HA H 3.910 0.000 . 253 30 30 SER HB2 H 3.376 0.000 . 254 30 30 SER CA C 56.967 0.000 . 255 30 30 SER CB C 64.771 0.000 . 256 30 30 SER N N 110.838 0.000 . 257 31 31 VAL H H 8.320 0.000 . 258 31 31 VAL HA H 4.208 0.000 . 259 31 31 VAL HB H 1.980 0.000 . 260 31 31 VAL HG1 H 0.848 0.000 . 261 31 31 VAL HG2 H 0.848 0.000 . 262 31 31 VAL CA C 61.780 0.000 . 263 31 31 VAL CB C 32.771 0.000 . 264 31 31 VAL CG1 C 21.236 0.000 . 265 31 31 VAL CG2 C 21.232 0.000 . 266 31 31 VAL N N 114.209 0.000 . 267 32 32 THR H H 7.828 0.000 . 268 32 32 THR HA H 4.179 0.000 . 269 32 32 THR HB H 3.910 0.000 . 270 32 32 THR HG2 H 0.881 0.000 . 271 32 32 THR CA C 60.465 0.000 . 272 32 32 THR CB C 63.211 0.000 . 273 32 32 THR CG2 C 20.879 0.000 . 274 32 32 THR N N 119.600 0.000 . 275 33 33 SER H H 8.292 0.000 . 276 33 33 SER HA H 4.179 0.000 . 277 33 33 SER HB2 H 4.192 0.000 . 278 33 33 SER HB3 H 4.192 0.000 . 279 33 33 SER C C 174.332 0.000 . 280 33 33 SER CA C 60.428 0.000 . 281 33 33 SER CB C 62.209 0.000 . 282 33 33 SER N N 115.967 0.000 . 283 34 34 GLY H H 7.848 0.000 . 284 34 34 GLY HA2 H 4.521 0.000 . 285 34 34 GLY HA3 H 3.621 0.000 . 286 34 34 GLY C C 173.709 0.000 . 287 34 34 GLY CA C 44.371 0.000 . 288 34 34 GLY N N 106.879 0.000 . 289 35 35 LYS H H 8.628 0.000 . 290 35 35 LYS HA H 4.310 0.000 . 291 35 35 LYS HB2 H 1.603 0.000 . 292 35 35 LYS HB3 H 1.603 0.000 . 293 35 35 LYS HG2 H 1.316 0.000 . 294 35 35 LYS HG3 H 1.216 0.000 . 295 35 35 LYS HD2 H 1.581 0.000 . 296 35 35 LYS HD3 H 1.581 0.000 . 297 35 35 LYS HE2 H 2.879 0.000 . 298 35 35 LYS HE3 H 2.879 0.000 . 299 35 35 LYS C C 176.262 0.000 . 300 35 35 LYS CA C 55.671 0.000 . 301 35 35 LYS CB C 34.247 0.000 . 302 35 35 LYS CG C 24.850 0.000 . 303 35 35 LYS CD C 29.324 0.000 . 304 35 35 LYS CE C 42.390 0.000 . 305 35 35 LYS N N 122.205 0.000 . 306 36 36 ILE H H 8.344 0.000 . 307 36 36 ILE HA H 4.121 0.000 . 308 36 36 ILE HB H 1.982 0.000 . 309 36 36 ILE HG12 H 1.595 0.000 . 310 36 36 ILE HG13 H 1.354 0.000 . 311 36 36 ILE HG2 H 0.406 0.000 . 312 36 36 ILE HD1 H 0.605 0.000 . 313 36 36 ILE C C 177.751 0.000 . 314 36 36 ILE CA C 58.921 0.000 . 315 36 36 ILE CB C 35.312 0.000 . 316 36 36 ILE CG1 C 27.315 0.000 . 317 36 36 ILE CG2 C 17.909 0.000 . 318 36 36 ILE CD1 C 10.505 0.000 . 319 36 36 ILE N N 120.178 0.000 . 320 37 37 ILE H H 8.460 0.000 . 321 37 37 ILE HA H 4.217 0.000 . 322 37 37 ILE HB H 1.662 0.000 . 323 37 37 ILE HG12 H 0.712 0.000 . 324 37 37 ILE HG13 H 0.983 0.000 . 325 37 37 ILE HG2 H 0.706 0.000 . 326 37 37 ILE HD1 H 0.569 0.000 . 327 37 37 ILE C C 176.085 0.000 . 328 37 37 ILE CA C 60.942 0.000 . 329 37 37 ILE CB C 39.799 0.000 . 330 37 37 ILE CG1 C 26.520 0.000 . 331 37 37 ILE CG2 C 17.675 0.000 . 332 37 37 ILE CD1 C 13.173 0.000 . 333 37 37 ILE N N 122.285 0.000 . 334 38 38 GLU H H 7.143 0.000 . 335 38 38 GLU HA H 4.169 0.000 . 336 38 38 GLU HB2 H 1.654 0.000 . 337 38 38 GLU HG2 H 1.878 0.000 . 338 38 38 GLU HG3 H 2.091 0.000 . 339 38 38 GLU C C 171.864 0.000 . 340 38 38 GLU CA C 55.976 0.000 . 341 38 38 GLU CB C 34.480 0.000 . 342 38 38 GLU CG C 37.366 0.000 . 343 38 38 GLU N N 116.489 0.000 . 344 39 39 TYR H H 8.860 0.000 . 345 39 39 TYR HA H 5.695 0.000 . 346 39 39 TYR HB2 H 3.159 0.000 . 347 39 39 TYR HB3 H 3.224 0.000 . 348 39 39 TYR HD1 H 7.178 0.000 . 349 39 39 TYR HD2 H 7.203 0.000 . 350 39 39 TYR HE1 H 6.784 0.000 . 351 39 39 TYR HE2 H 6.784 0.000 . 352 39 39 TYR C C 176.190 0.000 . 353 39 39 TYR CA C 56.911 0.000 . 354 39 39 TYR CB C 43.736 0.000 . 355 39 39 TYR CD1 C 135.032 0.000 . 356 39 39 TYR CD2 C 131.101 0.000 . 357 39 39 TYR CE1 C 117.138 0.000 . 358 39 39 TYR CE2 C 117.138 0.000 . 359 39 39 TYR N N 118.418 0.000 . 360 40 40 SER H H 8.705 0.000 . 361 40 40 SER HA H 5.497 0.000 . 362 40 40 SER HB2 H 3.467 0.000 . 363 40 40 SER HB3 H 3.195 0.000 . 364 40 40 SER C C 172.888 0.000 . 365 40 40 SER CA C 58.729 0.000 . 366 40 40 SER CB C 69.596 0.000 . 367 40 40 SER N N 111.613 0.000 . 368 41 41 VAL H H 8.428 0.000 . 369 41 41 VAL HA H 4.836 0.000 . 370 41 41 VAL HB H 1.859 0.000 . 371 41 41 VAL HG1 H 0.702 0.000 . 372 41 41 VAL HG2 H 0.629 0.000 . 373 41 41 VAL C C 175.106 0.000 . 374 41 41 VAL CA C 60.666 0.000 . 375 41 41 VAL CB C 34.691 0.000 . 376 41 41 VAL CG1 C 23.513 0.000 . 377 41 41 VAL CG2 C 21.509 0.000 . 378 41 41 VAL N N 119.202 0.000 . 379 42 42 TYR H H 9.773 0.000 . 380 42 42 TYR HA H 5.496 0.000 . 381 42 42 TYR HB2 H 2.893 0.000 . 382 42 42 TYR HB3 H 2.622 0.000 . 383 42 42 TYR HD1 H 6.655 0.000 . 384 42 42 TYR HD2 H 6.655 0.000 . 385 42 42 TYR HE1 H 6.502 0.000 . 386 42 42 TYR HE2 H 6.502 0.000 . 387 42 42 TYR C C 174.659 0.000 . 388 42 42 TYR CA C 55.760 0.000 . 389 42 42 TYR CB C 42.396 0.000 . 390 42 42 TYR CD1 C 131.029 0.000 . 391 42 42 TYR CD2 C 131.029 0.000 . 392 42 42 TYR CE1 C 116.357 0.000 . 393 42 42 TYR CE2 C 116.357 0.000 . 394 42 42 TYR N N 124.792 0.000 . 395 43 43 LEU H H 9.368 0.000 . 396 43 43 LEU HA H 5.253 0.000 . 397 43 43 LEU HB2 H 1.319 0.000 . 398 43 43 LEU HB3 H 1.762 0.000 . 399 43 43 LEU HG H 1.402 0.000 . 400 43 43 LEU HD1 H 0.598 0.000 . 401 43 43 LEU HD2 H 0.691 0.000 . 402 43 43 LEU C C 176.296 0.000 . 403 43 43 LEU CA C 53.346 0.000 . 404 43 43 LEU CB C 48.549 0.000 . 405 43 43 LEU CG C 27.048 0.000 . 406 43 43 LEU CD1 C 24.421 0.000 . 407 43 43 LEU CD2 C 27.845 0.000 . 408 43 43 LEU N N 123.210 0.000 . 409 44 44 ALA H H 8.366 0.000 . 410 44 44 ALA HA H 4.324 0.000 . 411 44 44 ALA HB H 0.841 0.000 . 412 44 44 ALA C C 178.318 0.000 . 413 44 44 ALA CA C 51.744 0.000 . 414 44 44 ALA CB C 18.649 0.000 . 415 44 44 ALA N N 127.556 0.000 . 416 45 45 ILE H H 8.599 0.000 . 417 45 45 ILE HA H 4.743 0.000 . 418 45 45 ILE HB H 1.875 0.000 . 419 45 45 ILE HG12 H 1.208 0.000 . 420 45 45 ILE HG2 H 0.805 0.000 . 421 45 45 ILE HD1 H 0.759 0.000 . 422 45 45 ILE C C 175.937 0.000 . 423 45 45 ILE CA C 60.120 0.000 . 424 45 45 ILE CB C 41.789 0.000 . 425 45 45 ILE CG1 C 26.448 0.000 . 426 45 45 ILE CG2 C 19.310 0.000 . 427 45 45 ILE CD1 C 14.228 0.000 . 428 45 45 ILE N N 119.672 0.000 . 429 46 46 GLN H H 8.207 0.000 . 430 46 46 GLN HA H 4.407 0.000 . 431 46 46 GLN HB2 H 1.852 0.000 . 432 46 46 GLN HB3 H 2.007 0.000 . 433 46 46 GLN HG2 H 2.304 0.000 . 434 46 46 GLN HG3 H 2.258 0.000 . 435 46 46 GLN HE21 H 6.842 0.000 . 436 46 46 GLN HE22 H 7.335 0.000 . 437 46 46 GLN C C 176.355 0.000 . 438 46 46 GLN CA C 55.814 0.000 . 439 46 46 GLN CB C 29.840 0.000 . 440 46 46 GLN CG C 33.738 0.000 . 441 46 46 GLN N N 120.248 0.000 . 442 46 46 GLN NE2 N 110.528 0.000 . 443 47 47 SER H H 8.316 0.000 . 444 47 47 SER HA H 4.445 0.000 . 445 47 47 SER HB2 H 3.704 0.000 . 446 47 47 SER HB3 H 3.781 0.000 . 447 47 47 SER C C 175.100 0.000 . 448 47 47 SER CA C 57.957 0.000 . 449 47 47 SER CB C 64.188 0.000 . 450 47 47 SER N N 117.541 0.000 . 451 48 48 SER H H 8.096 0.000 . 452 48 48 SER HA H 4.446 0.000 . 453 48 48 SER HB2 H 3.872 0.000 . 454 48 48 SER HB3 H 3.818 0.000 . 455 48 48 SER CA C 58.395 0.000 . 456 48 48 SER CB C 63.932 0.000 . 457 48 48 SER N N 116.421 0.000 . 458 49 49 GLN H H 8.308 0.000 . 459 49 49 GLN HA H 4.311 0.000 . 460 49 49 GLN HB2 H 2.075 0.000 . 461 49 49 GLN HB3 H 1.919 0.000 . 462 49 49 GLN HG2 H 2.308 0.000 . 463 49 49 GLN HG3 H 2.308 0.000 . 464 49 49 GLN C C 176.420 0.000 . 465 49 49 GLN CA C 55.842 0.000 . 466 49 49 GLN CB C 29.751 0.000 . 467 49 49 GLN CG C 33.871 0.000 . 468 49 49 GLN N N 120.755 0.000 . 469 49 49 GLN NE2 N 110.921 0.000 . 470 50 50 ALA H H 8.219 0.000 . 471 50 50 ALA HA H 4.312 0.000 . 472 50 50 ALA HB H 1.353 0.000 . 473 50 50 ALA C C 178.375 0.000 . 474 50 50 ALA CA C 52.620 0.000 . 475 50 50 ALA CB C 19.453 0.000 . 476 50 50 ALA N N 124.199 0.000 . 477 51 51 SER H H 8.148 0.000 . 478 51 51 SER HA H 4.307 0.000 . 479 51 51 SER HB2 H 4.287 0.000 . 480 51 51 SER HB3 H 4.287 0.000 . 481 51 51 SER C C 175.739 0.000 . 482 51 51 SER CA C 52.695 0.000 . 483 51 51 SER CB C 62.104 0.000 . 484 51 51 SER N N 113.652 0.000 . 485 52 52 GLY H H 8.267 0.000 . 486 52 52 GLY HA2 H 3.953 0.000 . 487 52 52 GLY HA3 H 3.894 0.000 . 488 52 52 GLY C C 174.511 0.000 . 489 52 52 GLY CA C 45.398 0.000 . 490 52 52 GLY N N 109.442 0.000 . 491 53 53 GLU H H 7.951 0.000 . 492 53 53 GLU HA H 4.553 0.000 . 493 53 53 GLU HB2 H 2.026 0.000 . 494 53 53 GLU HB3 H 1.860 0.000 . 495 53 53 GLU HG2 H 2.246 0.000 . 496 53 53 GLU HG3 H 2.246 0.000 . 497 53 53 GLU CA C 54.055 0.000 . 498 53 53 GLU CB C 29.844 0.000 . 499 53 53 GLU CG C 35.802 0.000 . 500 53 53 GLU N N 120.137 0.000 . 501 54 54 PRO HA H 4.365 0.000 . 502 54 54 PRO HB2 H 2.234 0.000 . 503 54 54 PRO HB3 H 2.234 0.000 . 504 54 54 PRO HG2 H 1.739 0.000 . 505 54 54 PRO HG3 H 1.884 0.000 . 506 54 54 PRO HD2 H 3.840 0.000 . 507 54 54 PRO HD3 H 3.619 0.000 . 508 54 54 PRO C C 177.830 0.000 . 509 54 54 PRO CA C 63.710 0.000 . 510 54 54 PRO CB C 32.712 0.000 . 511 54 54 PRO CG C 28.099 0.000 . 512 54 54 PRO CD C 50.343 0.000 . 513 55 55 LYS H H 8.315 0.000 . 514 55 55 LYS HA H 4.265 0.000 . 515 55 55 LYS HB2 H 1.741 0.000 . 516 55 55 LYS HB3 H 1.822 0.000 . 517 55 55 LYS HG2 H 1.374 0.000 . 518 55 55 LYS HG3 H 1.374 0.000 . 519 55 55 LYS HE2 H 3.479 0.000 . 520 55 55 LYS HE3 H 3.479 0.000 . 521 55 55 LYS C C 177.347 0.000 . 522 55 55 LYS CA C 56.697 0.000 . 523 55 55 LYS CB C 33.246 0.000 . 524 55 55 LYS CG C 24.925 0.000 . 525 55 55 LYS CD C 27.298 0.000 . 526 55 55 LYS N N 119.406 0.000 . 527 56 56 SER H H 8.090 0.000 . 528 56 56 SER HA H 4.564 0.000 . 529 56 56 SER HB2 H 4.366 0.000 . 530 56 56 SER C C 175.285 0.000 . 531 56 56 SER CA C 60.090 0.000 . 532 56 56 SER CB C 63.305 0.000 . 533 56 56 SER N N 114.624 0.000 . 534 57 57 SER H H 8.224 0.000 . 535 57 57 SER HA H 4.455 0.000 . 536 57 57 SER HB2 H 3.817 0.000 . 537 57 57 SER HB3 H 3.862 0.000 . 538 57 57 SER C C 174.988 0.000 . 539 57 57 SER CA C 58.332 0.000 . 540 57 57 SER CB C 63.876 0.000 . 541 57 57 SER N N 116.016 0.000 . 542 58 58 THR H H 7.939 0.000 . 543 58 58 THR HA H 4.602 0.000 . 544 58 58 THR HB H 4.134 0.000 . 545 58 58 THR HG2 H 1.180 0.000 . 546 58 58 THR CA C 59.935 0.000 . 547 58 58 THR CB C 69.773 0.000 . 548 58 58 THR CG2 C 21.758 0.000 . 549 58 58 THR N N 116.090 0.000 . 550 59 59 PRO HA H 4.281 0.000 . 551 59 59 PRO HB2 H 2.227 0.000 . 552 59 59 PRO HB3 H 1.824 0.000 . 553 59 59 PRO HG2 H 2.012 0.000 . 554 59 59 PRO HG3 H 2.012 0.000 . 555 59 59 PRO HD2 H 3.490 0.000 . 556 59 59 PRO HD3 H 3.839 0.000 . 557 59 59 PRO C C 177.272 0.000 . 558 59 59 PRO CA C 62.076 0.000 . 559 59 59 PRO CB C 32.778 0.000 . 560 59 59 PRO CG C 27.577 0.000 . 561 59 59 PRO CD C 49.680 0.000 . 562 60 60 ALA H H 8.156 0.000 . 563 60 60 ALA HA H 4.219 0.000 . 564 60 60 ALA HB H 1.314 0.000 . 565 60 60 ALA C C 178.277 0.000 . 566 60 60 ALA CA C 52.500 0.000 . 567 60 60 ALA CB C 19.459 0.000 . 568 60 60 ALA N N 122.319 0.000 . 569 61 61 GLN H H 8.016 0.000 . 570 61 61 GLN HA H 4.278 0.000 . 571 61 61 GLN HB2 H 2.041 0.000 . 572 61 61 GLN HB3 H 1.892 0.000 . 573 61 61 GLN HG2 H 2.293 0.000 . 574 61 61 GLN HE21 H 6.746 0.000 . 575 61 61 GLN HE22 H 7.404 0.000 . 576 61 61 GLN C C 176.148 0.000 . 577 61 61 GLN CA C 55.525 0.000 . 578 61 61 GLN CB C 30.044 0.000 . 579 61 61 GLN CG C 33.986 0.000 . 580 61 61 GLN N N 117.680 0.000 . 581 61 61 GLN NE2 N 110.858 0.000 . 582 62 62 LEU H H 7.968 0.000 . 583 62 62 LEU HA H 4.129 0.000 . 584 62 62 LEU HB2 H 1.383 0.000 . 585 62 62 LEU HB3 H 0.845 0.000 . 586 62 62 LEU HG H 1.375 0.000 . 587 62 62 LEU HD1 H 0.360 0.000 . 588 62 62 LEU HD2 H 0.589 0.000 . 589 62 62 LEU C C 176.202 0.000 . 590 62 62 LEU CA C 54.574 0.000 . 591 62 62 LEU CB C 43.290 0.000 . 592 62 62 LEU CG C 26.828 0.000 . 593 62 62 LEU CD1 C 23.195 0.000 . 594 62 62 LEU CD2 C 25.534 0.000 . 595 62 62 LEU N N 121.805 0.000 . 596 63 63 ALA H H 8.434 0.000 . 597 63 63 ALA HA H 4.496 0.000 . 598 63 63 ALA HB H 1.217 0.000 . 599 63 63 ALA C C 176.252 0.000 . 600 63 63 ALA CA C 50.798 0.000 . 601 63 63 ALA CB C 20.646 0.000 . 602 63 63 ALA N N 124.947 0.000 . 603 64 64 PHE H H 8.446 0.000 . 604 64 64 PHE HA H 5.084 0.000 . 605 64 64 PHE HB2 H 2.683 0.000 . 606 64 64 PHE HD1 H 6.851 0.000 . 607 64 64 PHE HD2 H 6.851 0.000 . 608 64 64 PHE HE1 H 6.964 0.000 . 609 64 64 PHE HE2 H 6.964 0.000 . 610 64 64 PHE HZ H 6.907 0.000 . 611 64 64 PHE C C 176.403 0.000 . 612 64 64 PHE CA C 57.733 0.000 . 613 64 64 PHE CB C 42.810 0.000 . 614 64 64 PHE CD1 C 129.713 0.000 . 615 64 64 PHE CD2 C 129.713 0.000 . 616 64 64 PHE CE1 C 129.713 0.000 . 617 64 64 PHE CE2 C 129.713 0.000 . 618 64 64 PHE CZ C 127.263 0.000 . 619 64 64 PHE N N 117.099 0.000 . 620 65 65 MET H H 9.050 0.000 . 621 65 65 MET HA H 4.902 0.000 . 622 65 65 MET HB3 H 2.049 0.000 . 623 65 65 MET HG2 H 2.537 0.000 . 624 65 65 MET HG3 H 2.451 0.000 . 625 65 65 MET HE H 2.096 0.000 . 626 65 65 MET CA C 53.984 0.000 . 627 65 65 MET CB C 36.825 0.000 . 628 65 65 MET CG C 31.644 0.000 . 629 65 65 MET CE C 17.524 0.000 . 630 65 65 MET N N 120.470 0.000 . 631 66 66 ARG H H 7.540 0.000 . 632 66 66 ARG HA H 4.143 0.000 . 633 66 66 ARG HB2 H 1.431 0.000 . 634 66 66 ARG HG2 H 1.251 0.000 . 635 66 66 ARG HD2 H 3.075 0.000 . 636 66 66 ARG HD3 H 2.824 0.000 . 637 66 66 ARG C C 176.916 0.000 . 638 66 66 ARG CA C 57.962 0.000 . 639 66 66 ARG CB C 31.072 0.000 . 640 66 66 ARG CG C 27.649 0.000 . 641 66 66 ARG CD C 44.363 0.000 . 642 66 66 ARG N N 120.685 0.000 . 643 67 67 VAL H H 8.859 0.000 . 644 67 67 VAL HA H 4.714 0.000 . 645 67 67 VAL HB H 2.552 0.000 . 646 67 67 VAL HG1 H 0.814 0.000 . 647 67 67 VAL HG2 H 1.030 0.000 . 648 67 67 VAL C C 175.777 0.000 . 649 67 67 VAL CA C 60.919 0.000 . 650 67 67 VAL CB C 33.414 0.000 . 651 67 67 VAL CG1 C 19.813 0.000 . 652 67 67 VAL CG2 C 23.127 0.000 . 653 67 67 VAL N N 117.677 0.000 . 654 68 68 TYR H H 7.539 0.000 . 655 68 68 TYR HA H 4.777 0.000 . 656 68 68 TYR HB2 H 3.491 0.000 . 657 68 68 TYR HB3 H 2.328 0.000 . 658 68 68 TYR HE1 H 6.979 0.000 . 659 68 68 TYR C C 173.712 0.000 . 660 68 68 TYR CA C 58.305 0.000 . 661 68 68 TYR CB C 43.056 0.000 . 662 68 68 TYR CD2 C 130.000 0.000 . 663 68 68 TYR CE2 C 117.170 0.000 . 664 68 68 TYR N N 120.707 0.000 . 665 69 69 CYS H H 7.601 0.000 . 666 69 69 CYS HA H 5.069 0.000 . 667 69 69 CYS HB2 H 2.368 0.000 . 668 69 69 CYS HB3 H 2.443 0.000 . 669 69 69 CYS C C 174.094 0.000 . 670 69 69 CYS CA C 57.190 0.000 . 671 69 69 CYS CB C 27.990 0.000 . 672 69 69 CYS N N 127.927 0.000 . 673 70 70 GLY H H 8.336 0.000 . 674 70 70 GLY HA2 H 4.375 0.000 . 675 70 70 GLY HA3 H 4.148 0.000 . 676 70 70 GLY CA C 46.146 0.000 . 677 70 70 GLY N N 114.822 0.000 . 678 71 71 PRO HA H 4.548 0.000 . 679 71 71 PRO HB2 H 2.358 0.000 . 680 71 71 PRO HG2 H 2.202 0.000 . 681 71 71 PRO HG3 H 2.158 0.000 . 682 71 71 PRO HD2 H 3.963 0.000 . 683 71 71 PRO HD3 H 3.712 0.000 . 684 71 71 PRO CB C 32.664 0.000 . 685 71 71 PRO CG C 27.092 0.000 . 686 71 71 PRO CD C 49.782 0.000 . 687 72 72 SER H H 7.327 0.000 . 688 72 72 SER HA H 4.850 0.000 . 689 72 72 SER HB2 H 3.860 0.000 . 690 72 72 SER CA C 56.874 0.000 . 691 72 72 SER CB C 63.248 0.000 . 692 72 72 SER N N 112.451 0.000 . 693 73 73 PRO HA H 4.193 0.000 . 694 73 73 PRO HB2 H 1.704 0.000 . 695 73 73 PRO HB3 H 1.555 0.000 . 696 73 73 PRO HG2 H 2.013 0.000 . 697 73 73 PRO HG3 H 1.873 0.000 . 698 73 73 PRO HD2 H 3.494 0.000 . 699 73 73 PRO HD3 H 3.650 0.000 . 700 73 73 PRO CA C 63.555 0.000 . 701 73 73 PRO CB C 32.236 0.000 . 702 73 73 PRO CG C 28.210 0.000 . 703 73 73 PRO CD C 50.149 0.000 . 704 74 74 SER H H 6.909 0.000 . 705 74 74 SER HA H 3.907 0.000 . 706 74 74 SER HB2 H 3.374 0.000 . 707 74 74 SER HB3 H 3.329 0.000 . 708 74 74 SER CA C 56.710 0.000 . 709 74 74 SER CB C 64.647 0.000 . 710 74 74 SER N N 111.450 0.000 . 711 75 75 CYS H H 6.017 0.000 . 712 75 75 CYS HA H 3.559 0.000 . 713 75 75 CYS HB2 H 1.599 0.000 . 714 75 75 CYS HB3 H 0.643 0.000 . 715 75 75 CYS C C 171.568 0.000 . 716 75 75 CYS CA C 62.200 0.000 . 717 75 75 CYS CB C 26.251 0.000 . 718 75 75 CYS N N 124.103 0.000 . 719 76 76 LEU H H 8.015 0.000 . 720 76 76 LEU HA H 4.823 0.000 . 721 76 76 LEU HB2 H 1.577 0.000 . 722 76 76 LEU HB3 H 1.169 0.000 . 723 76 76 LEU HD1 H 0.296 0.000 . 724 76 76 LEU HD2 H 1.100 0.000 . 725 76 76 LEU C C 176.786 0.000 . 726 76 76 LEU CA C 53.365 0.000 . 727 76 76 LEU CB C 44.226 0.000 . 728 76 76 LEU CD1 C 22.767 0.000 . 729 76 76 LEU CD2 C 22.760 0.000 . 730 76 76 LEU N N 121.191 0.000 . 731 77 77 VAL H H 9.084 0.000 . 732 77 77 VAL HA H 4.252 0.000 . 733 77 77 VAL HB H 1.968 0.000 . 734 77 77 VAL HG1 H 1.070 0.000 . 735 77 77 VAL HG2 H 0.783 0.000 . 736 77 77 VAL C C 175.529 0.000 . 737 77 77 VAL CA C 61.651 0.000 . 738 77 77 VAL CB C 32.676 0.000 . 739 77 77 VAL CG1 C 21.768 0.000 . 740 77 77 VAL CG2 C 22.020 0.000 . 741 77 77 VAL N N 126.347 0.000 . 742 78 78 GLN H H 8.908 0.000 . 743 78 78 GLN HA H 4.515 0.000 . 744 78 78 GLN HB2 H 2.122 0.000 . 745 78 78 GLN HB3 H 2.437 0.000 . 746 78 78 GLN HG2 H 2.519 0.000 . 747 78 78 GLN HG3 H 2.465 0.000 . 748 78 78 GLN HE21 H 7.477 0.000 . 749 78 78 GLN HE22 H 6.854 0.000 . 750 78 78 GLN C C 178.805 0.000 . 751 78 78 GLN CA C 56.916 0.000 . 752 78 78 GLN CB C 30.398 0.000 . 753 78 78 GLN CG C 34.965 0.000 . 754 78 78 GLN N N 124.566 0.000 . 755 78 78 GLN NE2 N 110.682 0.000 . 756 79 79 SER H H 8.458 0.000 . 757 79 79 SER HA H 4.087 0.000 . 758 79 79 SER HB2 H 3.882 0.000 . 759 79 79 SER C C 177.179 0.000 . 760 79 79 SER CA C 62.454 0.000 . 761 79 79 SER CB C 62.787 0.000 . 762 79 79 SER N N 116.974 0.000 . 763 80 80 SER H H 8.537 0.000 . 764 80 80 SER HA H 4.211 0.000 . 765 80 80 SER HB2 H 3.888 0.000 . 766 80 80 SER C C 177.853 0.000 . 767 80 80 SER CA C 61.190 0.000 . 768 80 80 SER CB C 62.358 0.000 . 769 80 80 SER N N 114.734 0.000 . 770 81 81 SER H H 7.514 0.000 . 771 81 81 SER HA H 4.455 0.000 . 772 81 81 SER HB2 H 3.780 0.000 . 773 81 81 SER HB3 H 4.024 0.000 . 774 81 81 SER C C 175.702 0.000 . 775 81 81 SER CA C 61.433 0.000 . 776 81 81 SER CB C 63.130 0.000 . 777 81 81 SER N N 117.137 0.000 . 778 82 82 LEU H H 7.629 0.000 . 779 82 82 LEU HA H 4.033 0.000 . 780 82 82 LEU HB2 H 1.608 0.000 . 781 82 82 LEU HB3 H 1.970 0.000 . 782 82 82 LEU HG H 1.771 0.000 . 783 82 82 LEU HD1 H 0.993 0.000 . 784 82 82 LEU HD2 H 1.052 0.000 . 785 82 82 LEU C C 179.445 0.000 . 786 82 82 LEU CA C 56.702 0.000 . 787 82 82 LEU CB C 41.788 0.000 . 788 82 82 LEU CG C 26.748 0.000 . 789 82 82 LEU CD1 C 23.897 0.000 . 790 82 82 LEU CD2 C 25.982 0.000 . 791 82 82 LEU N N 117.548 0.000 . 792 83 83 SER H H 7.805 0.000 . 793 83 83 SER HA H 4.214 0.000 . 794 83 83 SER HB2 H 3.908 0.000 . 795 83 83 SER C C 175.256 0.000 . 796 83 83 SER CA C 61.192 0.000 . 797 83 83 SER CB C 63.544 0.000 . 798 83 83 SER N N 113.258 0.000 . 799 84 84 ASN H H 7.612 0.000 . 800 84 84 ASN HA H 4.922 0.000 . 801 84 84 ASN HB2 H 2.636 0.000 . 802 84 84 ASN HB3 H 2.963 0.000 . 803 84 84 ASN HD21 H 7.323 0.000 . 804 84 84 ASN HD22 H 6.827 0.000 . 805 84 84 ASN C C 175.063 0.000 . 806 84 84 ASN CA C 52.672 0.000 . 807 84 84 ASN CB C 39.691 0.000 . 808 84 84 ASN N N 116.565 0.000 . 809 84 84 ASN ND2 N 110.990 0.000 . 810 85 85 ALA H H 7.558 0.000 . 811 85 85 ALA HA H 4.249 0.000 . 812 85 85 ALA HB H 1.436 0.000 . 813 85 85 ALA C C 178.113 0.000 . 814 85 85 ALA CA C 53.065 0.000 . 815 85 85 ALA CB C 19.820 0.000 . 816 85 85 ALA N N 119.819 0.000 . 817 86 86 HIS H H 8.280 0.000 . 818 86 86 HIS HA H 4.405 0.000 . 819 86 86 HIS HB2 H 2.592 0.000 . 820 86 86 HIS HB3 H 2.643 0.000 . 821 86 86 HIS C C 175.333 0.000 . 822 86 86 HIS CA C 55.619 0.000 . 823 86 86 HIS CB C 29.198 0.000 . 824 86 86 HIS N N 118.388 0.000 . 825 87 87 ILE H H 7.873 0.000 . 826 87 87 ILE HA H 4.055 0.000 . 827 87 87 ILE HB H 1.495 0.000 . 828 87 87 ILE HG12 H 1.204 0.000 . 829 87 87 ILE HG13 H 0.970 0.000 . 830 87 87 ILE HG2 H 0.096 0.000 . 831 87 87 ILE HD1 H 0.521 0.000 . 832 87 87 ILE C C 174.718 0.000 . 833 87 87 ILE CA C 59.427 0.000 . 834 87 87 ILE CB C 37.442 0.000 . 835 87 87 ILE CG1 C 27.138 0.000 . 836 87 87 ILE CG2 C 17.516 0.000 . 837 87 87 ILE CD1 C 11.346 0.000 . 838 87 87 ILE N N 126.618 0.000 . 839 88 88 ASP H H 8.572 0.000 . 840 88 88 ASP HA H 4.512 0.000 . 841 88 88 ASP HB2 H 2.368 0.000 . 842 88 88 ASP HB3 H 2.605 0.000 . 843 88 88 ASP C C 176.506 0.000 . 844 88 88 ASP CA C 53.237 0.000 . 845 88 88 ASP CB C 43.761 0.000 . 846 88 88 ASP N N 124.684 0.000 . 847 89 89 TYR H H 8.533 0.000 . 848 89 89 TYR HA H 4.379 0.000 . 849 89 89 TYR HB2 H 3.262 0.000 . 850 89 89 TYR HB3 H 2.584 0.000 . 851 89 89 TYR HD1 H 7.001 0.000 . 852 89 89 TYR HD2 H 7.001 0.000 . 853 89 89 TYR HE1 H 6.658 0.000 . 854 89 89 TYR HE2 H 6.658 0.000 . 855 89 89 TYR C C 176.631 0.000 . 856 89 89 TYR CA C 58.629 0.000 . 857 89 89 TYR CB C 38.462 0.000 . 858 89 89 TYR CD1 C 131.301 0.000 . 859 89 89 TYR CD2 C 131.301 0.000 . 860 89 89 TYR CE1 C 116.409 0.000 . 861 89 89 TYR CE2 C 116.409 0.000 . 862 89 89 TYR N N 122.959 0.000 . 863 90 90 THR H H 8.024 0.000 . 864 90 90 THR HA H 3.974 0.000 . 865 90 90 THR HB H 4.091 0.000 . 866 90 90 THR HG2 H 1.216 0.000 . 867 90 90 THR C C 176.298 0.000 . 868 90 90 THR CA C 65.610 0.000 . 869 90 90 THR CB C 68.758 0.000 . 870 90 90 THR CG2 C 21.879 0.000 . 871 90 90 THR N N 115.232 0.000 . 872 91 91 THR H H 8.013 0.000 . 873 91 91 THR HA H 4.290 0.000 . 874 91 91 THR HB H 4.186 0.000 . 875 91 91 THR HG2 H 1.122 0.000 . 876 91 91 THR C C 174.644 0.000 . 877 91 91 THR CA C 61.288 0.000 . 878 91 91 THR CB C 69.418 0.000 . 879 91 91 THR CG2 C 22.224 0.000 . 880 91 91 THR N N 112.253 0.000 . 881 92 92 LYS H H 7.883 0.000 . 882 92 92 LYS HA H 4.459 0.000 . 883 92 92 LYS HB2 H 1.691 0.000 . 884 92 92 LYS HB3 H 1.532 0.000 . 885 92 92 LYS HG2 H 1.397 0.000 . 886 92 92 LYS HG3 H 1.458 0.000 . 887 92 92 LYS HE2 H 2.948 0.000 . 888 92 92 LYS HE3 H 2.948 0.000 . 889 92 92 LYS CA C 54.432 0.000 . 890 92 92 LYS CB C 29.423 0.000 . 891 92 92 LYS CG C 25.316 0.000 . 892 92 92 LYS CE C 42.394 0.000 . 893 92 92 LYS N N 121.833 0.000 . 894 93 93 PRO HA H 4.211 0.000 . 895 93 93 PRO HB2 H 1.698 0.000 . 896 93 93 PRO HB3 H 1.546 0.000 . 897 93 93 PRO HG2 H 1.476 0.000 . 898 93 93 PRO HG3 H 1.830 0.000 . 899 93 93 PRO HD2 H 3.509 0.000 . 900 93 93 PRO HD3 H 3.682 0.000 . 901 93 93 PRO C C 176.775 0.000 . 902 93 93 PRO CA C 63.385 0.000 . 903 93 93 PRO CB C 32.214 0.000 . 904 93 93 PRO CG C 26.886 0.000 . 905 93 93 PRO CD C 50.252 0.000 . 906 94 94 ALA H H 8.072 0.000 . 907 94 94 ALA HA H 4.865 0.000 . 908 94 94 ALA HB H 1.159 0.000 . 909 94 94 ALA C C 175.790 0.000 . 910 94 94 ALA CA C 51.011 0.000 . 911 94 94 ALA CB C 22.840 0.000 . 912 94 94 ALA N N 122.487 0.000 . 913 95 95 ILE H H 8.099 0.000 . 914 95 95 ILE HA H 4.291 0.000 . 915 95 95 ILE HB H 1.787 0.000 . 916 95 95 ILE HG12 H 0.981 0.000 . 917 95 95 ILE HG13 H 1.338 0.000 . 918 95 95 ILE HG2 H 0.535 0.000 . 919 95 95 ILE HD1 H 0.716 0.000 . 920 95 95 ILE C C 175.063 0.000 . 921 95 95 ILE CA C 60.430 0.000 . 922 95 95 ILE CB C 40.656 0.000 . 923 95 95 ILE CG1 C 29.487 0.000 . 924 95 95 ILE CG2 C 18.089 0.000 . 925 95 95 ILE CD1 C 13.408 0.000 . 926 95 95 ILE N N 120.526 0.000 . 927 96 96 ILE H H 9.393 0.000 . 928 96 96 ILE HA H 4.954 0.000 . 929 96 96 ILE HB H 1.758 0.000 . 930 96 96 ILE HG12 H 1.400 0.000 . 931 96 96 ILE HG13 H 1.107 0.000 . 932 96 96 ILE HG2 H 0.911 0.000 . 933 96 96 ILE HD1 H 0.758 0.000 . 934 96 96 ILE C C 175.609 0.000 . 935 96 96 ILE CA C 60.290 0.000 . 936 96 96 ILE CB C 39.899 0.000 . 937 96 96 ILE CG1 C 27.876 0.000 . 938 96 96 ILE CG2 C 18.278 0.000 . 939 96 96 ILE CD1 C 13.276 0.000 . 940 96 96 ILE N N 126.053 0.000 . 941 97 97 PHE H H 8.626 0.000 . 942 97 97 PHE HA H 6.017 0.000 . 943 97 97 PHE HB2 H 2.534 0.000 . 944 97 97 PHE HB3 H 2.824 0.000 . 945 97 97 PHE HD1 H 6.991 0.000 . 946 97 97 PHE HD2 H 6.991 0.000 . 947 97 97 PHE HE1 H 7.015 0.000 . 948 97 97 PHE HE2 H 7.015 0.000 . 949 97 97 PHE C C 177.044 0.000 . 950 97 97 PHE CA C 55.769 0.000 . 951 97 97 PHE CB C 43.686 0.000 . 952 97 97 PHE CD1 C 130.251 0.000 . 953 97 97 PHE CD2 C 130.251 0.000 . 954 97 97 PHE CE1 C 129.139 0.000 . 955 97 97 PHE CE2 C 129.139 0.000 . 956 97 97 PHE N N 120.455 0.000 . 957 98 98 ARG H H 9.041 0.000 . 958 98 98 ARG HA H 5.441 0.000 . 959 98 98 ARG HB2 H 1.094 0.000 . 960 98 98 ARG HB3 H 1.284 0.000 . 961 98 98 ARG HG2 H 1.160 0.000 . 962 98 98 ARG HG3 H 1.245 0.000 . 963 98 98 ARG C C 176.125 0.000 . 964 98 98 ARG CA C 54.963 0.000 . 965 98 98 ARG CB C 35.621 0.000 . 966 98 98 ARG CG C 28.376 0.000 . 967 98 98 ARG CD C 42.453 0.000 . 968 98 98 ARG N N 117.253 0.000 . 969 99 99 ILE H H 8.499 0.000 . 970 99 99 ILE HA H 5.019 0.000 . 971 99 99 ILE HB H 1.038 0.000 . 972 99 99 ILE HG12 H 1.112 0.000 . 973 99 99 ILE HG13 H 0.542 0.000 . 974 99 99 ILE HG2 H -0.400 0.000 . 975 99 99 ILE HD1 H 0.083 0.000 . 976 99 99 ILE C C 174.486 0.000 . 977 99 99 ILE CA C 60.934 0.000 . 978 99 99 ILE CB C 41.415 0.000 . 979 99 99 ILE CG1 C 27.932 0.000 . 980 99 99 ILE CG2 C 16.110 0.000 . 981 99 99 ILE CD1 C 14.895 0.000 . 982 99 99 ILE N N 120.894 0.000 . 983 100 100 ALA H H 8.779 0.000 . 984 100 100 ALA HA H 4.888 0.000 . 985 100 100 ALA HB H 1.359 0.000 . 986 100 100 ALA C C 175.044 0.000 . 987 100 100 ALA CA C 51.356 0.000 . 988 100 100 ALA CB C 24.590 0.000 . 989 100 100 ALA N N 127.368 0.000 . 990 101 101 ALA H H 9.955 0.000 . 991 101 101 ALA HA H 5.118 0.000 . 992 101 101 ALA HB H 1.346 0.000 . 993 101 101 ALA C C 174.314 0.000 . 994 101 101 ALA CA C 50.568 0.000 . 995 101 101 ALA CB C 24.621 0.000 . 996 101 101 ALA N N 123.472 0.000 . 997 102 102 ARG H H 8.474 0.000 . 998 102 102 ARG HA H 4.591 0.000 . 999 102 102 ARG HB2 H 0.632 0.000 . 1000 102 102 ARG HB3 H -0.146 0.000 . 1001 102 102 ARG HG3 H 0.639 0.000 . 1002 102 102 ARG HD2 H 2.444 0.000 . 1003 102 102 ARG HD3 H 2.642 0.000 . 1004 102 102 ARG C C 176.649 0.000 . 1005 102 102 ARG CA C 54.071 0.000 . 1006 102 102 ARG CB C 33.170 0.000 . 1007 102 102 ARG CG C 26.968 0.000 . 1008 102 102 ARG CD C 43.867 0.000 . 1009 102 102 ARG N N 119.295 0.000 . 1010 103 103 ASN H H 7.816 0.000 . 1011 103 103 ASN HA H 5.454 0.000 . 1012 103 103 ASN HB2 H 3.450 0.000 . 1013 103 103 ASN HB3 H 2.538 0.000 . 1014 103 103 ASN HD21 H 7.614 0.000 . 1015 103 103 ASN HD22 H 7.614 0.000 . 1016 103 103 ASN C C 176.327 0.000 . 1017 103 103 ASN CA C 51.304 0.000 . 1018 103 103 ASN CB C 39.659 0.000 . 1019 103 103 ASN N N 124.198 0.000 . 1020 103 103 ASN ND2 N 110.764 0.000 . 1021 104 104 GLU H H 9.416 0.000 . 1022 104 104 GLU HA H 3.853 0.000 . 1023 104 104 GLU HB2 H 2.023 0.000 . 1024 104 104 GLU HB3 H 1.905 0.000 . 1025 104 104 GLU HG2 H 2.318 0.000 . 1026 104 104 GLU HG3 H 2.218 0.000 . 1027 104 104 GLU C C 177.716 0.000 . 1028 104 104 GLU CA C 59.905 0.000 . 1029 104 104 GLU CB C 29.164 0.000 . 1030 104 104 GLU CG C 36.911 0.000 . 1031 104 104 GLU N N 115.270 0.000 . 1032 105 105 LYS H H 7.737 0.000 . 1033 105 105 LYS HA H 4.262 0.000 . 1034 105 105 LYS HB2 H 1.658 0.000 . 1035 105 105 LYS HG2 H 1.108 0.000 . 1036 105 105 LYS HG3 H 1.171 0.000 . 1037 105 105 LYS HD2 H 1.408 0.000 . 1038 105 105 LYS HD3 H 1.289 0.000 . 1039 105 105 LYS HE2 H 2.777 0.000 . 1040 105 105 LYS C C 177.667 0.000 . 1041 105 105 LYS CA C 57.055 0.000 . 1042 105 105 LYS CB C 33.051 0.000 . 1043 105 105 LYS CG C 25.066 0.000 . 1044 105 105 LYS CD C 28.551 0.000 . 1045 105 105 LYS CE C 42.579 0.000 . 1046 105 105 LYS N N 116.576 0.000 . 1047 106 106 GLY H H 7.906 0.000 . 1048 106 106 GLY HA2 H 3.695 0.000 . 1049 106 106 GLY HA3 H 4.366 0.000 . 1050 106 106 GLY C C 172.796 0.000 . 1051 106 106 GLY CA C 45.916 0.000 . 1052 106 106 GLY N N 104.067 0.000 . 1053 107 107 TYR H H 8.378 0.000 . 1054 107 107 TYR HA H 4.749 0.000 . 1055 107 107 TYR HB2 H 3.009 0.000 . 1056 107 107 TYR HB3 H 2.626 0.000 . 1057 107 107 TYR HD1 H 7.035 0.000 . 1058 107 107 TYR HD2 H 7.035 0.000 . 1059 107 107 TYR HE1 H 6.721 0.000 . 1060 107 107 TYR HE2 H 6.721 0.000 . 1061 107 107 TYR C C 178.772 0.000 . 1062 107 107 TYR CA C 59.800 0.000 . 1063 107 107 TYR CB C 40.566 0.000 . 1064 107 107 TYR CD1 C 131.866 0.000 . 1065 107 107 TYR CD2 C 131.866 0.000 . 1066 107 107 TYR CE1 C 117.991 0.000 . 1067 107 107 TYR CE2 C 117.991 0.000 . 1068 107 107 TYR N N 117.296 0.000 . 1069 108 108 GLY H H 8.651 0.000 . 1070 108 108 GLY HA2 H 4.184 0.000 . 1071 108 108 GLY HA3 H 4.184 0.000 . 1072 108 108 GLY CA C 44.262 0.000 . 1073 108 108 GLY N N 107.379 0.000 . 1074 109 109 PRO HB2 H 2.189 0.000 . 1075 109 109 PRO HG3 H 1.934 0.000 . 1076 109 109 PRO HD2 H 3.837 0.000 . 1077 109 109 PRO HD3 H 3.478 0.000 . 1078 109 109 PRO CA C 61.945 0.000 . 1079 109 109 PRO CG C 27.409 0.000 . 1080 109 109 PRO CD C 49.690 0.000 . 1081 110 110 ALA HA H 4.871 0.000 . 1082 110 110 ALA HB H 1.002 0.000 . 1083 110 110 ALA C C 179.404 0.000 . 1084 110 110 ALA CA C 50.268 0.000 . 1085 110 110 ALA CB C 20.115 0.000 . 1086 111 111 THR H H 8.810 0.000 . 1087 111 111 THR HA H 4.396 0.000 . 1088 111 111 THR HB H 3.730 0.000 . 1089 111 111 THR HG2 H 1.065 0.000 . 1090 111 111 THR C C 173.449 0.000 . 1091 111 111 THR CA C 61.721 0.000 . 1092 111 111 THR CB C 69.967 0.000 . 1093 111 111 THR CG2 C 22.988 0.000 . 1094 111 111 THR N N 118.432 0.000 . 1095 112 112 GLN H H 8.698 0.000 . 1096 112 112 GLN HA H 5.337 0.000 . 1097 112 112 GLN HB2 H 1.841 0.000 . 1098 112 112 GLN HB3 H 2.024 0.000 . 1099 112 112 GLN HG2 H 2.108 0.000 . 1100 112 112 GLN HG3 H 2.108 0.000 . 1101 112 112 GLN HE21 H 7.500 0.000 . 1102 112 112 GLN HE22 H 6.833 0.000 . 1103 112 112 GLN C C 175.442 0.000 . 1104 112 112 GLN CA C 54.803 0.000 . 1105 112 112 GLN CB C 31.753 0.000 . 1106 112 112 GLN CG C 35.889 0.000 . 1107 112 112 GLN N N 127.590 0.000 . 1108 112 112 GLN NE2 N 110.806 0.000 . 1109 113 113 VAL H H 9.101 0.000 . 1110 113 113 VAL HA H 4.574 0.000 . 1111 113 113 VAL HB H 1.981 0.000 . 1112 113 113 VAL HG1 H 0.855 0.000 . 1113 113 113 VAL HG2 H 0.914 0.000 . 1114 113 113 VAL C C 173.891 0.000 . 1115 113 113 VAL CA C 60.284 0.000 . 1116 113 113 VAL CB C 36.064 0.000 . 1117 113 113 VAL CG1 C 21.070 0.000 . 1118 113 113 VAL CG2 C 21.664 0.000 . 1119 113 113 VAL N N 123.646 0.000 . 1120 114 114 ARG H H 8.434 0.000 . 1121 114 114 ARG HA H 4.933 0.000 . 1122 114 114 ARG HB2 H 1.708 0.000 . 1123 114 114 ARG HB3 H 1.555 0.000 . 1124 114 114 ARG HG2 H 1.580 0.000 . 1125 114 114 ARG HG3 H 1.340 0.000 . 1126 114 114 ARG HD2 H 3.103 0.000 . 1127 114 114 ARG HD3 H 3.219 0.000 . 1128 114 114 ARG C C 175.683 0.000 . 1129 114 114 ARG CA C 54.749 0.000 . 1130 114 114 ARG CB C 32.053 0.000 . 1131 114 114 ARG CG C 28.312 0.000 . 1132 114 114 ARG CD C 43.708 0.000 . 1133 114 114 ARG N N 122.944 0.000 . 1134 115 115 TRP H H 9.944 0.000 . 1135 115 115 TRP HA H 5.257 0.000 . 1136 115 115 TRP HB2 H 3.533 0.000 . 1137 115 115 TRP HB3 H 2.831 0.000 . 1138 115 115 TRP HD1 H 7.465 0.000 . 1139 115 115 TRP HE1 H 10.296 0.000 . 1140 115 115 TRP HE3 H 7.431 0.000 . 1141 115 115 TRP HZ2 H 7.289 0.000 . 1142 115 115 TRP HZ3 H 7.038 0.000 . 1143 115 115 TRP HH2 H 7.074 0.000 . 1144 115 115 TRP CA C 54.521 0.000 . 1145 115 115 TRP CB C 30.048 0.000 . 1146 115 115 TRP CD1 C 125.366 0.000 . 1147 115 115 TRP CE3 C 118.558 0.000 . 1148 115 115 TRP CZ2 C 112.529 0.000 . 1149 115 115 TRP CZ3 C 119.579 0.000 . 1150 115 115 TRP CH2 C 122.185 0.000 . 1151 115 115 TRP N N 126.067 0.000 . 1152 115 115 TRP NE1 N 130.125 0.000 . 1153 116 116 LEU H H 8.722 0.000 . 1154 116 116 LEU HA H 4.263 0.000 . 1155 116 116 LEU HB2 H 1.677 0.000 . 1156 116 116 LEU HB3 H 1.404 0.000 . 1157 116 116 LEU HG H 1.664 0.000 . 1158 116 116 LEU HD1 H 0.881 0.000 . 1159 116 116 LEU HD2 H 0.754 0.000 . 1160 116 116 LEU CA C 55.697 0.000 . 1161 116 116 LEU CB C 41.727 0.000 . 1162 116 116 LEU CG C 27.760 0.000 . 1163 116 116 LEU CD1 C 25.473 0.000 . 1164 116 116 LEU CD2 C 24.145 0.000 . 1165 116 116 LEU N N 130.031 0.000 . 1166 117 117 GLN H H 7.453 0.000 . 1167 117 117 GLN HA H 4.048 0.000 . 1168 117 117 GLN HB2 H 1.793 0.000 . 1169 117 117 GLN HB3 H 1.967 0.000 . 1170 117 117 GLN HG3 H 2.075 0.000 . 1171 117 117 GLN CA C 57.436 0.000 . 1172 117 117 GLN CB C 31.668 0.000 . 1173 117 117 GLN CG C 35.885 0.000 . 1174 117 117 GLN N N 124.737 0.000 . 1175 118 118 GLU H H 7.891 0.000 . 1176 118 118 GLU HA H 3.395 0.000 . 1177 118 118 GLU HB2 H 1.525 0.000 . 1178 118 118 GLU HG2 H 1.681 0.000 . 1179 118 118 GLU HG3 H 1.761 0.000 . 1180 118 118 GLU CA C 54.682 0.000 . 1181 118 118 GLU CB C 29.372 0.000 . 1182 118 118 GLU CG C 34.002 0.000 . 1183 118 118 GLU N N 118.531 0.000 . 1184 119 119 THR H H 7.892 0.000 . 1185 119 119 THR HA H 4.267 0.000 . 1186 119 119 THR HB H 4.267 0.000 . 1187 119 119 THR HG2 H 1.145 0.000 . 1188 119 119 THR CA C 55.604 0.000 . 1189 119 119 THR CB C 69.285 0.000 . 1190 119 119 THR CG2 C 22.160 0.000 . 1191 119 119 THR N N 121.831 0.000 . stop_ save_