data_16870 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments of the N-terminal domain of human Tubulin Cofactor C ; _BMRB_accession_number 16870 _BMRB_flat_file_name bmr16870.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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 'Garcia Mayoral' 'Maria Flor' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 681 "13C chemical shifts" 370 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-28 original author . stop_ _Original_release_date 2011-09-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N resonance assignments of the N-terminal domain of human Tubulin Binding Cofactor C' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20617401 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Garcia Mayoral' 'Maria Flor' . . 2 Castano Raquel . . 3 Zabala 'Juan Carlos' . . 4 Santoro Jorge . . 5 Rico Manuel . . 6 Bruix Marta . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 219 _Page_last 221 _Year 2010 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title '1H, 13C, 15N resonance assignments of the N-terminal domain of human Tubulin Cofactor C' _Citation_status 'in press' _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 'Garcia Mayoral' 'Maria Flor' . . 2 Castano Raquel . . 3 Zabala 'Juan Carlos' . . 4 Santoro Jorge . . 5 Rico Manuel . . 6 Bruix Marta . . stop_ _Journal_abbreviation 'Plos One' _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Human Tubulin Cofactor C' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Human Tubulin Cofactor C' $TBCC 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_TBCC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Human Tubulin Cofactor C' _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Tubulin folding' stop_ _Details 'N terminal' ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; MPERLQRREQERQLEVERRK QKRQNQEVEKENSHFFVATF ARERAAVEELLERAESVERL EEAASRLQGLQKLINDSVFF LAAYDLRQGQEALARLQAAL AERRRGLQPKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 25 MET 2 26 PRO 3 27 GLU 4 28 ARG 5 29 LEU 6 30 GLN 7 31 ARG 8 32 ARG 9 33 GLU 10 34 GLN 11 35 GLU 12 36 ARG 13 37 GLN 14 38 LEU 15 39 GLU 16 40 VAL 17 41 GLU 18 42 ARG 19 43 ARG 20 44 LYS 21 45 GLN 22 46 LYS 23 47 ARG 24 48 GLN 25 49 ASN 26 50 GLN 27 51 GLU 28 52 VAL 29 53 GLU 30 54 LYS 31 55 GLU 32 56 ASN 33 57 SER 34 58 HIS 35 59 PHE 36 60 PHE 37 61 VAL 38 62 ALA 39 63 THR 40 64 PHE 41 65 ALA 42 66 ARG 43 67 GLU 44 68 ARG 45 69 ALA 46 70 ALA 47 71 VAL 48 72 GLU 49 73 GLU 50 74 LEU 51 75 LEU 52 76 GLU 53 77 ARG 54 78 ALA 55 79 GLU 56 80 SER 57 81 VAL 58 82 GLU 59 83 ARG 60 84 LEU 61 85 GLU 62 86 GLU 63 87 ALA 64 88 ALA 65 89 SER 66 90 ARG 67 91 LEU 68 92 GLN 69 93 GLY 70 94 LEU 71 95 GLN 72 96 LYS 73 97 LEU 74 98 ILE 75 99 ASN 76 100 ASP 77 101 SER 78 102 VAL 79 103 PHE 80 104 PHE 81 105 LEU 82 106 ALA 83 107 ALA 84 108 TYR 85 109 ASP 86 110 LEU 87 111 ARG 88 112 GLN 89 113 GLY 90 114 GLN 91 115 GLU 92 116 ALA 93 117 LEU 94 118 ALA 95 119 ARG 96 120 LEU 97 121 GLN 98 122 ALA 99 123 ALA 100 124 LEU 101 125 ALA 102 126 GLU 103 127 ARG 104 128 ARG 105 129 ARG 106 130 GLY 107 131 LEU 108 132 GLN 109 133 PRO 110 134 LYS 111 135 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2L3L "The Solution Structure Of The N-Terminal Domain Of Human Tubulin Binding Cofactor C Reveals A Platform For The Interaction With" 100.00 111 100.00 100.00 4.79e-67 DBJ BAG35561 "unnamed protein product [Homo sapiens]" 100.00 346 99.10 100.00 5.08e-65 EMBL CAH92969 "hypothetical protein [Pongo abelii]" 100.00 346 97.30 98.20 1.01e-62 GB AAB17539 "cofactor C [Homo sapiens]" 100.00 346 99.10 100.00 5.08e-65 GB AAH17479 "TBCC protein [Homo sapiens]" 100.00 346 99.10 100.00 5.08e-65 GB AAH20170 "Tubulin folding cofactor C [Homo sapiens]" 100.00 346 99.10 100.00 5.08e-65 GB AAP35648 "tubulin-specific chaperone c [Homo sapiens]" 100.00 346 99.10 100.00 5.08e-65 GB AAP36382 "Homo sapiens tubulin-specific chaperone c [synthetic construct]" 100.00 347 99.10 100.00 5.51e-65 REF NP_001126753 "tubulin-specific chaperone C [Pongo abelii]" 100.00 346 97.30 98.20 1.01e-62 REF NP_003183 "tubulin-specific chaperone C [Homo sapiens]" 100.00 346 99.10 100.00 5.08e-65 REF XP_003833336 "PREDICTED: tubulin-specific chaperone C [Pan paniscus]" 100.00 377 97.30 98.20 2.69e-62 REF XP_004044073 "PREDICTED: tubulin-specific chaperone C [Gorilla gorilla gorilla]" 100.00 377 97.30 98.20 2.69e-62 REF XP_518477 "PREDICTED: tubulin-specific chaperone C [Pan troglodytes]" 100.00 377 97.30 98.20 2.69e-62 SP Q15814 "RecName: Full=Tubulin-specific chaperone C; AltName: Full=Tubulin-folding cofactor C; Short=CFC" 100.00 346 98.20 99.10 1.73e-64 SP Q5R5J7 "RecName: Full=Tubulin-specific chaperone C; AltName: Full=Tubulin-folding cofactor C; Short=CFC" 100.00 346 97.30 98.20 1.01e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TBCC Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $TBCC 'recombinant technology' . Escherichia coli BL21 pET3a 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TBCC . mM 0.5 1.0 '[U-13C; U-15N]' 'potassium phosphate' 20 mM . . 'natural abundance' 'potassium chloride' 20 mM . . 'natural abundance' TCEP 1.0 mM . . 'natural abundance' EDTA 1.0 mM . . 'natural abundance' DSS 0.05 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HA(CA)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HA(CA)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 6.0 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 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_ _Software_label $SPARKY $TOPSPIN $CYANA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D CBCANH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' '3D HA(CA)NH' 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 'Human Tubulin Cofactor C' _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 1 MET HA H 4.087 0.001 1 2 25 1 MET HB2 H 2.162 0.006 1 3 25 1 MET HB3 H 2.162 0.006 1 4 25 1 MET HE H 2.088 0.002 1 5 25 1 MET HG2 H 2.452 0.003 1 6 25 1 MET HG3 H 2.452 0.003 1 7 25 1 MET CA C 55.251 0.003 1 8 25 1 MET CB C 29.339 0.000 1 9 25 1 MET CE C 15.906 0.000 1 10 25 1 MET CG C 32.916 0.000 1 11 26 2 PRO HA H 4.420 0.001 1 12 26 2 PRO HB2 H 2.466 0.003 2 13 26 2 PRO HB3 H 2.057 0.000 2 14 26 2 PRO HD2 H 3.413 0.004 1 15 26 2 PRO HD3 H 3.413 0.004 1 16 26 2 PRO HG2 H 2.074 0.000 2 17 26 2 PRO HG3 H 2.031 0.000 2 18 26 2 PRO CA C 62.360 0.000 1 19 26 2 PRO CB C 32.481 0.073 1 20 26 2 PRO CD C 49.456 0.005 1 21 26 2 PRO CG C 26.477 0.029 1 22 27 3 GLU H H 8.837 0.001 1 23 27 3 GLU HA H 4.350 0.003 1 24 27 3 GLU HB2 H 2.068 0.000 2 25 27 3 GLU HB3 H 1.951 0.001 2 26 27 3 GLU HG2 H 2.324 0.000 2 27 27 3 GLU HG3 H 2.276 0.001 2 28 27 3 GLU CA C 56.612 0.029 1 29 27 3 GLU CB C 30.477 0.037 1 30 27 3 GLU CG C 36.162 0.035 1 31 27 3 GLU N N 121.147 0.032 1 32 28 4 ARG H H 8.604 0.002 1 33 28 4 ARG HA H 4.331 0.000 1 34 28 4 ARG HB2 H 1.808 0.001 1 35 28 4 ARG HB3 H 1.808 0.001 1 36 28 4 ARG HD2 H 3.220 0.000 1 37 28 4 ARG HD3 H 3.220 0.000 1 38 28 4 ARG HG2 H 1.652 0.000 1 39 28 4 ARG HG3 H 1.652 0.000 1 40 28 4 ARG CA C 56.398 0.071 1 41 28 4 ARG CB C 30.656 0.050 1 42 28 4 ARG CD C 43.435 0.000 1 43 28 4 ARG N N 122.959 0.007 1 44 29 5 LEU H H 8.377 0.002 1 45 29 5 LEU HA H 4.355 0.002 1 46 29 5 LEU HB2 H 1.646 0.005 2 47 29 5 LEU HB3 H 1.568 0.010 2 48 29 5 LEU HD1 H 0.925 0.000 2 49 29 5 LEU HD2 H 0.876 0.001 2 50 29 5 LEU HG H 1.605 0.000 1 51 29 5 LEU CA C 55.280 0.042 1 52 29 5 LEU CB C 42.377 0.066 1 53 29 5 LEU CD1 C 24.910 0.000 2 54 29 5 LEU CD2 C 23.613 0.005 2 55 29 5 LEU CG C 27.076 0.035 1 56 29 5 LEU N N 123.758 0.034 1 57 30 6 GLN H H 8.491 0.002 1 58 30 6 GLN HA H 4.320 0.000 1 59 30 6 GLN HB2 H 2.026 0.000 1 60 30 6 GLN HB3 H 2.026 0.000 1 61 30 6 GLN HG2 H 2.318 0.000 1 62 30 6 GLN HG3 H 2.318 0.000 1 63 30 6 GLN CA C 56.053 0.019 1 64 30 6 GLN CB C 29.452 0.013 1 65 30 6 GLN N N 121.908 0.006 1 66 31 7 ARG H H 8.454 0.002 1 67 31 7 ARG HA H 4.311 0.000 1 68 31 7 ARG HB2 H 1.882 0.000 2 69 31 7 ARG HB3 H 1.801 0.000 2 70 31 7 ARG HD2 H 3.219 0.000 1 71 31 7 ARG HD3 H 3.219 0.000 1 72 31 7 ARG HG2 H 1.635 0.000 1 73 31 7 ARG HG3 H 1.635 0.000 1 74 31 7 ARG CA C 56.830 0.064 1 75 31 7 ARG CB C 30.543 0.039 1 76 31 7 ARG CG C 27.363 0.000 5 77 31 7 ARG N N 122.766 0.037 1 78 32 8 ARG H H 8.512 0.002 1 79 32 8 ARG HA H 4.296 0.000 1 80 32 8 ARG HB2 H 1.833 0.000 1 81 32 8 ARG HB3 H 1.833 0.000 1 82 32 8 ARG HG2 H 1.660 0.000 1 83 32 8 ARG HG3 H 1.660 0.000 1 84 32 8 ARG CA C 57.069 0.013 1 85 32 8 ARG CB C 30.526 0.030 1 86 32 8 ARG N N 121.907 0.006 1 87 33 9 GLU H H 8.490 0.004 1 88 33 9 GLU HA H 4.299 0.000 1 89 33 9 GLU HB2 H 2.053 0.000 1 90 33 9 GLU HB3 H 2.053 0.000 1 91 33 9 GLU HG2 H 2.357 0.000 1 92 33 9 GLU HG3 H 2.357 0.000 1 93 33 9 GLU CA C 57.804 0.026 1 94 33 9 GLU CB C 29.730 0.000 1 95 33 9 GLU N N 121.480 0.001 1 96 34 10 GLN H H 8.376 0.002 1 97 34 10 GLN HA H 4.218 0.000 1 98 34 10 GLN HB2 H 2.072 0.003 1 99 34 10 GLN HB3 H 2.072 0.003 1 100 34 10 GLN HE21 H 7.278 0.002 2 101 34 10 GLN HE22 H 7.178 0.003 2 102 34 10 GLN HG2 H 2.374 0.002 1 103 34 10 GLN HG3 H 2.374 0.002 1 104 34 10 GLN CA C 57.340 0.000 1 105 34 10 GLN CB C 29.058 0.000 1 106 34 10 GLN N N 120.370 0.006 1 107 35 11 GLU H H 8.330 0.001 1 108 35 11 GLU HA H 4.200 0.000 1 109 35 11 GLU HB2 H 2.064 0.000 1 110 35 11 GLU HB3 H 2.064 0.000 1 111 35 11 GLU HG2 H 2.361 0.000 1 112 35 11 GLU HG3 H 2.361 0.000 1 113 35 11 GLU CA C 57.975 0.006 1 114 35 11 GLU CB C 29.901 0.024 1 115 35 11 GLU N N 121.063 0.005 1 116 36 12 ARG H H 8.243 0.000 1 117 36 12 ARG HA H 4.244 0.002 1 118 36 12 ARG HD2 H 3.222 0.000 1 119 36 12 ARG HD3 H 3.222 0.000 1 120 36 12 ARG CA C 57.596 0.053 1 121 36 12 ARG CB C 30.378 0.066 1 122 36 12 ARG CD C 43.310 0.000 1 123 36 12 ARG CG C 27.266 0.000 1 124 36 12 ARG N N 121.317 0.001 1 125 37 13 GLN H H 8.298 0.007 1 126 37 13 GLN HA H 4.198 0.003 1 127 37 13 GLN HB2 H 2.101 0.000 1 128 37 13 GLN HB3 H 2.101 0.000 1 129 37 13 GLN HG2 H 2.401 0.000 1 130 37 13 GLN HG3 H 2.401 0.000 1 131 37 13 GLN CA C 57.320 0.000 1 132 37 13 GLN CB C 28.679 0.023 1 133 37 13 GLN N N 120.361 0.008 1 134 38 14 LEU H H 8.159 0.003 1 135 38 14 LEU HA H 4.220 0.003 1 136 38 14 LEU HB2 H 1.752 0.002 2 137 38 14 LEU HB3 H 1.602 0.003 2 138 38 14 LEU HD1 H 0.931 0.003 2 139 38 14 LEU HD2 H 0.881 0.001 2 140 38 14 LEU HG H 1.684 0.000 1 141 38 14 LEU CA C 56.680 0.000 1 142 38 14 LEU CB C 42.140 0.037 1 143 38 14 LEU CD1 C 24.920 0.000 2 144 38 14 LEU CD2 C 23.600 0.000 2 145 38 14 LEU CG C 27.099 0.050 1 146 38 14 LEU N N 121.799 0.006 1 147 39 15 GLU H H 8.143 0.003 1 148 39 15 GLU HA H 4.183 0.000 1 149 39 15 GLU HB2 H 2.089 0.000 1 150 39 15 GLU HB3 H 2.089 0.000 1 151 39 15 GLU HG2 H 2.304 0.000 1 152 39 15 GLU HG3 H 2.304 0.000 1 153 39 15 GLU CA C 58.247 0.007 1 154 39 15 GLU CB C 29.599 0.007 1 155 39 15 GLU N N 120.647 0.001 1 156 40 16 VAL H H 7.943 0.005 1 157 40 16 VAL HA H 3.787 0.002 1 158 40 16 VAL HB H 2.175 0.003 1 159 40 16 VAL HG1 H 1.026 0.003 2 160 40 16 VAL HG2 H 0.958 0.001 2 161 40 16 VAL CA C 64.947 0.013 1 162 40 16 VAL CB C 32.196 0.025 1 163 40 16 VAL CG1 C 21.659 0.031 2 164 40 16 VAL CG2 C 21.162 0.003 2 165 40 16 VAL N N 119.978 0.005 1 166 41 17 GLU H H 8.127 0.005 1 167 41 17 GLU HA H 4.164 0.002 1 168 41 17 GLU HB2 H 2.087 0.000 1 169 41 17 GLU HB3 H 2.087 0.000 1 170 41 17 GLU HG2 H 2.319 0.003 1 171 41 17 GLU HG3 H 2.319 0.003 1 172 41 17 GLU CA C 58.127 0.037 1 173 41 17 GLU CB C 29.666 0.018 1 174 41 17 GLU N N 121.164 0.001 1 175 42 18 ARG H H 8.256 0.007 1 176 42 18 ARG HA H 4.179 0.001 1 177 42 18 ARG HB2 H 1.886 0.000 1 178 42 18 ARG HB3 H 1.886 0.000 1 179 42 18 ARG CA C 58.027 0.000 1 180 42 18 ARG CB C 30.453 0.000 1 181 42 18 ARG N N 120.647 0.005 1 182 43 19 ARG H H 8.048 0.007 1 183 43 19 ARG HA H 4.198 0.000 1 184 43 19 ARG HB2 H 1.886 0.002 1 185 43 19 ARG HB3 H 1.886 0.002 1 186 43 19 ARG HG2 H 1.724 0.000 1 187 43 19 ARG HG3 H 1.724 0.000 1 188 43 19 ARG CA C 57.626 0.000 1 189 43 19 ARG CB C 30.405 0.007 1 190 43 19 ARG N N 119.575 0.006 1 191 44 20 LYS H H 7.989 0.008 1 192 44 20 LYS HA H 4.211 0.003 1 193 44 20 LYS HB2 H 1.894 0.003 2 194 44 20 LYS HB3 H 1.848 0.004 2 195 44 20 LYS HD2 H 1.705 0.000 1 196 44 20 LYS HD3 H 1.705 0.000 1 197 44 20 LYS HE2 H 2.978 0.000 1 198 44 20 LYS HE3 H 2.978 0.000 1 199 44 20 LYS HG2 H 1.549 0.002 2 200 44 20 LYS HG3 H 1.416 0.000 2 201 44 20 LYS CA C 57.483 0.046 1 202 44 20 LYS CB C 32.831 0.036 1 203 44 20 LYS CD C 29.230 0.000 1 204 44 20 LYS CE C 42.140 0.000 1 205 44 20 LYS CG C 25.070 0.036 1 206 44 20 LYS N N 120.599 0.008 1 207 45 21 GLN H H 8.097 0.005 1 208 45 21 GLN HA H 4.246 0.000 1 209 45 21 GLN HB2 H 2.097 0.000 2 210 45 21 GLN HB3 H 2.034 0.000 2 211 45 21 GLN HE21 H 7.644 0.001 2 212 45 21 GLN HE22 H 6.835 0.001 2 213 45 21 GLN HG2 H 2.418 0.003 1 214 45 21 GLN HG3 H 2.418 0.003 1 215 45 21 GLN CA C 56.450 0.016 1 216 45 21 GLN CB C 29.273 0.008 1 217 45 21 GLN N N 119.985 0.001 1 218 46 22 LYS H H 8.220 0.003 1 219 46 22 LYS HA H 4.271 0.003 1 220 46 22 LYS HB2 H 1.854 0.001 2 221 46 22 LYS HB3 H 1.804 0.002 2 222 46 22 LYS HD2 H 1.691 0.000 1 223 46 22 LYS HD3 H 1.691 0.000 1 224 46 22 LYS HE2 H 2.988 0.002 1 225 46 22 LYS HE3 H 2.988 0.002 1 226 46 22 LYS HG2 H 1.489 0.002 2 227 46 22 LYS HG3 H 1.441 0.001 2 228 46 22 LYS CA C 56.831 0.016 1 229 46 22 LYS CB C 32.848 0.036 1 230 46 22 LYS CD C 29.230 0.000 1 231 46 22 LYS CE C 42.180 0.030 1 232 46 22 LYS CG C 24.883 0.050 1 233 46 22 LYS N N 122.002 0.002 1 234 47 23 ARG H H 8.283 0.003 1 235 47 23 ARG HA H 4.318 0.005 1 236 47 23 ARG HB2 H 1.887 0.000 2 237 47 23 ARG HB3 H 1.811 0.003 2 238 47 23 ARG HD2 H 3.204 0.003 1 239 47 23 ARG HD3 H 3.204 0.003 1 240 47 23 ARG HG2 H 1.684 0.003 2 241 47 23 ARG HG3 H 1.640 0.002 2 242 47 23 ARG CA C 56.489 0.052 1 243 47 23 ARG CB C 30.498 0.057 1 244 47 23 ARG CD C 43.380 0.000 1 245 47 23 ARG CG C 27.240 0.000 1 246 47 23 ARG N N 121.913 0.002 1 247 48 24 GLN H H 8.501 0.002 1 248 48 24 GLN HA H 4.317 0.000 1 249 48 24 GLN HB2 H 2.103 0.000 1 250 48 24 GLN HB3 H 2.103 0.000 1 251 48 24 GLN HG2 H 2.396 0.002 1 252 48 24 GLN HG3 H 2.396 0.002 1 253 48 24 GLN CA C 56.360 0.000 1 254 48 24 GLN CB C 29.419 0.014 1 255 48 24 GLN CG C 34.050 0.000 1 256 48 24 GLN N N 121.505 0.004 1 257 49 25 ASN H H 8.516 0.003 1 258 49 25 ASN HA H 4.657 0.004 1 259 49 25 ASN HB2 H 2.876 0.005 2 260 49 25 ASN HB3 H 2.825 0.003 2 261 49 25 ASN HD21 H 7.668 0.003 2 262 49 25 ASN HD22 H 6.971 0.002 2 263 49 25 ASN CA C 53.860 0.000 1 264 49 25 ASN CB C 38.678 0.015 1 265 49 25 ASN N N 119.522 0.001 1 266 50 26 GLN H H 8.440 0.004 1 267 50 26 GLN HA H 4.293 0.001 1 268 50 26 GLN HB2 H 2.091 0.001 1 269 50 26 GLN HB3 H 2.091 0.001 1 270 50 26 GLN HG2 H 2.388 0.003 1 271 50 26 GLN HG3 H 2.388 0.003 1 272 50 26 GLN CA C 56.870 0.000 1 273 50 26 GLN CB C 29.274 0.033 1 274 50 26 GLN N N 120.236 0.002 1 275 51 27 GLU H H 8.416 0.003 1 276 51 27 GLU HA H 4.269 0.001 1 277 51 27 GLU HB2 H 2.037 0.003 1 278 51 27 GLU HB3 H 2.037 0.003 1 279 51 27 GLU HG2 H 2.308 0.004 1 280 51 27 GLU HG3 H 2.308 0.004 1 281 51 27 GLU CA C 57.344 0.042 1 282 51 27 GLU CB C 29.708 0.000 1 283 51 27 GLU N N 121.483 0.004 1 284 52 28 VAL H H 8.039 0.006 1 285 52 28 VAL HA H 3.992 0.004 1 286 52 28 VAL HB H 2.095 0.002 1 287 52 28 VAL HG1 H 0.977 0.004 2 288 52 28 VAL HG2 H 0.943 0.002 2 289 52 28 VAL CA C 63.476 0.008 1 290 52 28 VAL CB C 32.554 0.049 1 291 52 28 VAL CG1 C 21.115 0.016 2 292 52 28 VAL CG2 C 21.150 0.052 2 293 52 28 VAL N N 120.582 0.008 1 294 53 29 GLU H H 8.380 0.005 1 295 53 29 GLU HA H 4.184 0.004 1 296 53 29 GLU HB2 H 2.042 0.000 1 297 53 29 GLU HB3 H 2.042 0.000 1 298 53 29 GLU HG2 H 2.336 0.008 2 299 53 29 GLU HG3 H 2.287 0.002 2 300 53 29 GLU CA C 57.782 0.006 1 301 53 29 GLU CB C 29.777 0.021 1 302 53 29 GLU CG C 36.346 0.084 1 303 53 29 GLU N N 123.011 0.003 1 304 54 30 LYS H H 8.152 0.004 1 305 54 30 LYS HA H 4.161 0.005 1 306 54 30 LYS HB2 H 1.805 0.001 1 307 54 30 LYS HB3 H 1.805 0.001 1 308 54 30 LYS HD2 H 1.671 0.000 1 309 54 30 LYS HD3 H 1.671 0.000 1 310 54 30 LYS HE2 H 2.982 0.003 1 311 54 30 LYS HE3 H 2.982 0.003 1 312 54 30 LYS HG2 H 1.460 0.001 2 313 54 30 LYS HG3 H 1.336 0.002 2 314 54 30 LYS CA C 57.448 0.000 1 315 54 30 LYS CB C 32.800 0.000 1 316 54 30 LYS CD C 29.240 0.000 1 317 54 30 LYS CE C 42.200 0.000 1 318 54 30 LYS CG C 24.979 0.039 1 319 54 30 LYS N N 121.041 0.003 1 320 55 31 GLU H H 8.243 0.010 1 321 55 31 GLU HA H 4.087 0.002 1 322 55 31 GLU HB2 H 2.008 0.009 1 323 55 31 GLU HB3 H 2.008 0.009 1 324 55 31 GLU HG2 H 2.316 0.007 2 325 55 31 GLU HG3 H 2.250 0.001 2 326 55 31 GLU CA C 57.583 0.046 1 327 55 31 GLU CB C 29.300 0.000 1 328 55 31 GLU CG C 36.090 0.042 1 329 55 31 GLU N N 120.959 0.002 1 330 56 32 ASN H H 8.290 0.007 1 331 56 32 ASN HA H 4.585 0.003 1 332 56 32 ASN HB2 H 2.608 0.004 2 333 56 32 ASN HB3 H 2.479 0.006 2 334 56 32 ASN HD21 H 7.370 0.003 2 335 56 32 ASN HD22 H 6.893 0.008 2 336 56 32 ASN CA C 54.387 0.080 1 337 56 32 ASN CB C 38.344 0.031 1 338 56 32 ASN N N 118.674 0.003 1 339 57 33 SER H H 8.500 0.005 1 340 57 33 SER HA H 4.346 0.008 1 341 57 33 SER HB2 H 4.067 0.002 2 342 57 33 SER HB3 H 4.022 0.006 2 343 57 33 SER CA C 61.358 0.004 1 344 57 33 SER CB C 63.080 0.000 1 345 57 33 SER N N 116.864 0.003 1 346 58 34 HIS H H 8.363 0.005 1 347 58 34 HIS HA H 4.494 0.004 1 348 58 34 HIS HB2 H 3.298 0.005 1 349 58 34 HIS HB3 H 3.298 0.005 1 350 58 34 HIS HD2 H 7.222 0.005 1 351 58 34 HIS HE1 H 8.497 0.003 1 352 58 34 HIS CA C 58.398 0.008 1 353 58 34 HIS CB C 28.648 0.053 1 354 58 34 HIS CD2 C 119.971 0.000 1 355 58 34 HIS CE1 C 136.677 0.000 1 356 58 34 HIS N N 119.728 0.019 1 357 59 35 PHE H H 8.301 0.004 1 358 59 35 PHE HA H 4.427 0.002 1 359 59 35 PHE HB2 H 3.265 0.004 1 360 59 35 PHE HB3 H 3.265 0.004 1 361 59 35 PHE HD1 H 7.265 0.003 1 362 59 35 PHE HD2 H 7.265 0.003 1 363 59 35 PHE HE1 H 7.364 0.002 1 364 59 35 PHE HE2 H 7.364 0.002 1 365 59 35 PHE CA C 60.669 0.023 1 366 59 35 PHE CB C 38.887 0.002 1 367 59 35 PHE CD1 C 131.725 0.000 1 368 59 35 PHE CD2 C 131.725 0.000 1 369 59 35 PHE CE1 C 131.691 0.000 1 370 59 35 PHE CE2 C 131.691 0.000 1 371 59 35 PHE N N 120.019 0.006 1 372 60 36 PHE H H 8.369 0.003 1 373 60 36 PHE HA H 4.077 0.004 1 374 60 36 PHE HB2 H 3.416 0.006 1 375 60 36 PHE HB3 H 3.325 0.006 1 376 60 36 PHE HD1 H 7.225 0.004 1 377 60 36 PHE HD2 H 7.225 0.004 1 378 60 36 PHE HE1 H 7.007 0.005 1 379 60 36 PHE HE2 H 7.007 0.005 1 380 60 36 PHE HZ H 6.633 0.002 1 381 60 36 PHE CA C 62.540 0.000 1 382 60 36 PHE CB C 39.425 0.035 1 383 60 36 PHE CD1 C 132.433 0.000 1 384 60 36 PHE CD2 C 132.433 0.000 1 385 60 36 PHE CE1 C 130.837 0.060 1 386 60 36 PHE CE2 C 130.837 0.060 1 387 60 36 PHE CZ C 129.289 0.000 1 388 60 36 PHE N N 121.882 0.003 1 389 61 37 VAL H H 8.441 0.005 1 390 61 37 VAL HA H 3.460 0.004 1 391 61 37 VAL HB H 2.153 0.003 1 392 61 37 VAL HG1 H 1.052 0.002 1 393 61 37 VAL HG2 H 1.247 0.004 1 394 61 37 VAL CA C 66.868 0.019 1 395 61 37 VAL CB C 31.613 0.018 1 396 61 37 VAL CG1 C 21.211 0.036 1 397 61 37 VAL CG2 C 22.654 0.026 1 398 61 37 VAL N N 118.570 0.020 1 399 62 38 ALA H H 7.968 0.008 1 400 62 38 ALA HA H 4.185 0.002 1 401 62 38 ALA HB H 1.392 0.004 1 402 62 38 ALA CA C 54.860 0.000 1 403 62 38 ALA CB C 18.474 0.049 1 404 62 38 ALA N N 121.416 0.008 1 405 63 39 THR H H 7.975 0.004 1 406 63 39 THR HA H 3.732 0.005 1 407 63 39 THR HB H 3.896 0.003 1 408 63 39 THR HG2 H 1.084 0.004 1 409 63 39 THR CA C 66.601 0.028 1 410 63 39 THR CB C 68.658 0.018 1 411 63 39 THR CG2 C 21.706 0.062 1 412 63 39 THR N N 116.483 0.001 1 413 64 40 PHE H H 8.815 0.002 1 414 64 40 PHE HA H 3.561 0.003 1 415 64 40 PHE HB2 H 2.741 0.003 2 416 64 40 PHE HB3 H 2.268 0.004 2 417 64 40 PHE HD1 H 7.031 0.005 1 418 64 40 PHE HD2 H 7.031 0.005 1 419 64 40 PHE HE1 H 7.209 0.005 1 420 64 40 PHE HE2 H 7.209 0.005 1 421 64 40 PHE CA C 61.772 0.011 1 422 64 40 PHE CB C 38.799 0.032 1 423 64 40 PHE CD1 C 132.622 0.000 1 424 64 40 PHE CD2 C 132.622 0.000 1 425 64 40 PHE CE1 C 130.547 0.000 1 426 64 40 PHE CE2 C 130.547 0.000 1 427 64 40 PHE N N 122.639 0.005 1 428 65 41 ALA H H 8.071 0.006 1 429 65 41 ALA HA H 3.987 0.005 1 430 65 41 ALA HB H 1.540 0.003 1 431 65 41 ALA CA C 55.464 0.021 1 432 65 41 ALA CB C 18.224 0.023 1 433 65 41 ALA N N 118.699 0.012 1 434 66 42 ARG H H 7.574 0.006 1 435 66 42 ARG HA H 4.058 0.002 1 436 66 42 ARG HB2 H 1.940 0.002 1 437 66 42 ARG HB3 H 1.940 0.002 1 438 66 42 ARG HD2 H 3.215 0.003 1 439 66 42 ARG HD3 H 3.215 0.003 1 440 66 42 ARG HG2 H 1.762 0.001 2 441 66 42 ARG HG3 H 1.550 0.003 2 442 66 42 ARG CA C 59.280 0.000 1 443 66 42 ARG CB C 30.290 0.000 1 444 66 42 ARG CD C 43.420 0.000 1 445 66 42 ARG CG C 27.344 0.036 1 446 66 42 ARG N N 118.434 0.044 1 447 67 43 GLU H H 8.070 0.005 1 448 67 43 GLU HA H 4.296 0.006 1 449 67 43 GLU HB2 H 1.862 0.005 2 450 67 43 GLU HB3 H 1.819 0.001 2 451 67 43 GLU HG2 H 2.302 0.004 2 452 67 43 GLU HG3 H 2.131 0.003 2 453 67 43 GLU CA C 58.031 0.021 1 454 67 43 GLU CB C 29.664 0.016 1 455 67 43 GLU CG C 35.398 0.060 1 456 67 43 GLU N N 120.522 0.022 1 457 68 44 ARG H H 8.922 0.005 1 458 68 44 ARG HA H 3.479 0.003 1 459 68 44 ARG HB2 H 1.399 0.002 1 460 68 44 ARG HB3 H 1.693 0.002 1 461 68 44 ARG HD2 H 3.217 0.006 2 462 68 44 ARG HD3 H 3.042 0.004 2 463 68 44 ARG HE H 7.575 0.000 1 464 68 44 ARG HG2 H 1.450 0.004 2 465 68 44 ARG HG3 H 1.426 0.005 2 466 68 44 ARG CA C 60.011 0.017 1 467 68 44 ARG CB C 29.132 0.035 1 468 68 44 ARG CD C 43.347 0.010 1 469 68 44 ARG CG C 26.691 0.049 1 470 68 44 ARG N N 120.828 0.001 1 471 69 45 ALA H H 7.569 0.008 1 472 69 45 ALA HA H 4.156 0.003 1 473 69 45 ALA HB H 1.489 0.001 1 474 69 45 ALA CA C 54.940 0.000 1 475 69 45 ALA CB C 17.905 0.065 1 476 69 45 ALA N N 119.530 0.005 1 477 70 46 ALA H H 7.671 0.003 1 478 70 46 ALA HA H 4.181 0.005 1 479 70 46 ALA HB H 1.486 0.002 1 480 70 46 ALA CA C 54.988 0.032 1 481 70 46 ALA CB C 17.940 0.000 1 482 70 46 ALA N N 120.683 0.007 1 483 71 47 VAL H H 8.364 0.006 1 484 71 47 VAL HA H 3.526 0.007 1 485 71 47 VAL HB H 2.138 0.002 1 486 71 47 VAL HG1 H 0.943 0.002 1 487 71 47 VAL HG2 H 0.978 0.001 1 488 71 47 VAL CA C 67.094 0.012 1 489 71 47 VAL CB C 31.090 0.000 1 490 71 47 VAL CG1 C 22.599 0.055 1 491 71 47 VAL CG2 C 24.421 0.002 1 492 71 47 VAL N N 119.100 0.001 1 493 72 48 GLU H H 8.471 0.004 1 494 72 48 GLU HA H 3.764 0.006 1 495 72 48 GLU HB2 H 2.201 0.005 2 496 72 48 GLU HB3 H 2.068 0.004 2 497 72 48 GLU HG2 H 2.205 0.001 1 498 72 48 GLU HG3 H 2.416 0.002 1 499 72 48 GLU CA C 60.631 0.014 1 500 72 48 GLU CB C 29.379 0.028 1 501 72 48 GLU CG C 37.405 0.010 1 502 72 48 GLU N N 120.293 0.015 1 503 73 49 GLU H H 7.854 0.004 1 504 73 49 GLU HA H 4.075 0.007 1 505 73 49 GLU HB2 H 2.129 0.003 2 506 73 49 GLU HB3 H 2.071 0.002 2 507 73 49 GLU HG2 H 2.395 0.004 2 508 73 49 GLU HG3 H 2.220 0.003 2 509 73 49 GLU CA C 59.500 0.000 1 510 73 49 GLU CB C 29.482 0.000 1 511 73 49 GLU CG C 36.332 0.023 1 512 73 49 GLU N N 118.579 0.002 1 513 74 50 LEU H H 7.786 0.010 1 514 74 50 LEU HA H 4.011 0.002 1 515 74 50 LEU HB2 H 1.982 0.004 2 516 74 50 LEU HB3 H 1.558 0.005 2 517 74 50 LEU HD1 H 0.893 0.003 2 518 74 50 LEU HD2 H 0.850 0.002 2 519 74 50 LEU HG H 1.832 0.001 1 520 74 50 LEU CA C 57.811 0.020 1 521 74 50 LEU CB C 42.646 0.032 1 522 74 50 LEU CD1 C 23.617 0.056 2 523 74 50 LEU CD2 C 25.254 0.021 2 524 74 50 LEU CG C 26.956 0.049 1 525 74 50 LEU N N 119.602 0.003 1 526 75 51 LEU H H 8.360 0.005 1 527 75 51 LEU HA H 3.855 0.004 1 528 75 51 LEU HB2 H 1.930 0.003 2 529 75 51 LEU HB3 H 1.404 0.003 2 530 75 51 LEU HD1 H 0.848 0.002 2 531 75 51 LEU HD2 H 0.754 0.006 2 532 75 51 LEU HG H 1.836 0.004 1 533 75 51 LEU CA C 57.790 0.026 1 534 75 51 LEU CB C 41.964 0.010 1 535 75 51 LEU CD1 C 26.357 0.000 2 536 75 51 LEU CD2 C 24.479 0.008 2 537 75 51 LEU CG C 26.880 0.000 1 538 75 51 LEU N N 117.370 0.002 1 539 76 52 GLU H H 7.769 0.004 1 540 76 52 GLU HA H 4.065 0.003 1 541 76 52 GLU HB2 H 2.104 0.004 1 542 76 52 GLU HB3 H 2.179 0.004 1 543 76 52 GLU HG2 H 2.412 0.001 2 544 76 52 GLU HG3 H 2.318 0.000 2 545 76 52 GLU CA C 58.990 0.000 1 546 76 52 GLU CB C 29.463 0.043 1 547 76 52 GLU CG C 35.935 0.035 1 548 76 52 GLU N N 117.474 0.003 1 549 77 53 ARG H H 7.602 0.005 1 550 77 53 ARG HA H 4.406 0.004 1 551 77 53 ARG HB2 H 1.968 0.002 2 552 77 53 ARG HB3 H 1.811 0.000 2 553 77 53 ARG HD2 H 3.172 0.003 1 554 77 53 ARG HD3 H 3.172 0.003 1 555 77 53 ARG HE H 7.481 0.000 1 556 77 53 ARG HG2 H 1.742 0.000 1 557 77 53 ARG HG3 H 1.742 0.000 1 558 77 53 ARG CA C 55.739 0.015 1 559 77 53 ARG CB C 30.979 0.002 1 560 77 53 ARG CD C 43.423 0.000 1 561 77 53 ARG CG C 27.180 0.000 1 562 77 53 ARG N N 115.078 0.003 1 563 78 54 ALA H H 7.636 0.005 1 564 78 54 ALA HA H 4.089 0.001 1 565 78 54 ALA HB H 1.375 0.002 1 566 78 54 ALA CA C 53.648 0.008 1 567 78 54 ALA CB C 18.439 0.042 1 568 78 54 ALA N N 122.878 0.004 1 569 79 55 GLU H H 9.059 0.004 1 570 79 55 GLU HA H 4.454 0.005 1 571 79 55 GLU HB2 H 2.219 0.001 2 572 79 55 GLU HB3 H 1.999 0.003 2 573 79 55 GLU HG2 H 2.368 0.007 2 574 79 55 GLU HG3 H 2.259 0.004 2 575 79 55 GLU CA C 56.207 0.025 1 576 79 55 GLU CB C 30.692 0.057 1 577 79 55 GLU CG C 36.123 0.020 1 578 79 55 GLU N N 120.471 0.003 1 579 80 56 SER H H 7.527 0.003 1 580 80 56 SER HA H 4.861 0.005 1 581 80 56 SER HB2 H 4.314 0.002 2 582 80 56 SER HB3 H 3.966 0.002 2 583 80 56 SER CA C 55.919 0.016 1 584 80 56 SER CB C 66.547 0.037 1 585 80 56 SER N N 111.623 0.019 1 586 81 57 VAL H H 9.088 0.003 1 587 81 57 VAL HA H 3.682 0.005 1 588 81 57 VAL HB H 2.133 0.004 1 589 81 57 VAL HG1 H 1.025 0.006 1 590 81 57 VAL HG2 H 1.088 0.004 1 591 81 57 VAL CA C 66.336 0.036 1 592 81 57 VAL CB C 31.743 0.018 1 593 81 57 VAL CG1 C 21.443 0.049 1 594 81 57 VAL CG2 C 22.323 0.019 1 595 81 57 VAL N N 121.945 0.003 1 596 82 58 GLU H H 9.023 0.006 1 597 82 58 GLU HA H 4.099 0.005 1 598 82 58 GLU HB2 H 2.110 0.004 2 599 82 58 GLU HB3 H 1.991 0.002 2 600 82 58 GLU HG2 H 2.446 0.003 2 601 82 58 GLU HG3 H 2.335 0.006 2 602 82 58 GLU CA C 60.611 0.010 1 603 82 58 GLU CB C 28.674 0.038 1 604 82 58 GLU CG C 36.858 0.012 1 605 82 58 GLU N N 120.822 0.001 1 606 83 59 ARG H H 7.678 0.006 1 607 83 59 ARG HA H 4.331 0.006 1 608 83 59 ARG HB2 H 1.992 0.005 1 609 83 59 ARG HB3 H 1.992 0.005 1 610 83 59 ARG HD2 H 3.286 0.002 1 611 83 59 ARG HD3 H 3.286 0.002 1 612 83 59 ARG HG2 H 1.907 0.004 2 613 83 59 ARG HG3 H 1.810 0.002 2 614 83 59 ARG CA C 58.040 0.000 1 615 83 59 ARG CB C 30.350 0.000 1 616 83 59 ARG CD C 43.074 0.000 1 617 83 59 ARG CG C 27.050 0.000 1 618 83 59 ARG N N 118.853 0.003 1 619 84 60 LEU H H 7.866 0.004 1 620 84 60 LEU HA H 4.012 0.003 1 621 84 60 LEU HB2 H 1.934 0.003 1 622 84 60 LEU HB3 H 1.561 0.004 1 623 84 60 LEU HD1 H 0.851 0.000 2 624 84 60 LEU HD2 H 0.779 0.003 2 625 84 60 LEU HG H 1.751 0.001 1 626 84 60 LEU CA C 57.530 0.000 1 627 84 60 LEU CB C 41.043 0.054 1 628 84 60 LEU CD1 C 23.587 0.000 2 629 84 60 LEU CD2 C 23.560 0.104 2 630 84 60 LEU CG C 26.532 0.000 1 631 84 60 LEU N N 119.944 0.005 1 632 85 61 GLU H H 8.369 0.004 1 633 85 61 GLU HA H 4.215 0.003 1 634 85 61 GLU HB2 H 2.143 0.005 1 635 85 61 GLU HB3 H 2.143 0.005 1 636 85 61 GLU HG2 H 2.449 0.002 2 637 85 61 GLU HG3 H 2.401 0.002 2 638 85 61 GLU CA C 58.840 0.000 1 639 85 61 GLU CB C 28.607 0.000 1 640 85 61 GLU CG C 36.013 0.003 1 641 85 61 GLU N N 119.671 0.021 1 642 86 62 GLU H H 7.743 0.004 1 643 86 62 GLU HA H 4.165 0.001 1 644 86 62 GLU HB2 H 2.192 0.000 1 645 86 62 GLU HB3 H 2.192 0.000 1 646 86 62 GLU HG2 H 2.460 0.004 2 647 86 62 GLU HG3 H 2.400 0.000 2 648 86 62 GLU CA C 59.323 0.000 1 649 86 62 GLU CB C 28.960 0.046 1 650 86 62 GLU CG C 36.143 0.043 1 651 86 62 GLU N N 121.548 0.003 1 652 87 63 ALA H H 7.863 0.003 1 653 87 63 ALA HA H 3.904 0.002 1 654 87 63 ALA HB H 1.501 0.002 1 655 87 63 ALA CA C 55.553 0.025 1 656 87 63 ALA CB C 17.776 0.039 1 657 87 63 ALA N N 121.630 0.001 1 658 88 64 ALA H H 8.514 0.004 1 659 88 64 ALA HA H 3.948 0.004 1 660 88 64 ALA HB H 1.576 0.003 1 661 88 64 ALA CA C 55.550 0.003 1 662 88 64 ALA CB C 18.337 0.012 1 663 88 64 ALA N N 120.076 0.001 1 664 89 65 SER H H 8.259 0.005 1 665 89 65 SER HA H 4.300 0.005 1 666 89 65 SER HB2 H 4.058 0.003 1 667 89 65 SER HB3 H 4.058 0.003 1 668 89 65 SER CA C 61.640 0.029 1 669 89 65 SER CB C 62.682 0.011 1 670 89 65 SER N N 115.346 0.014 1 671 90 66 ARG H H 8.215 0.008 1 672 90 66 ARG HA H 4.240 0.004 1 673 90 66 ARG HB2 H 1.884 0.001 1 674 90 66 ARG HB3 H 1.884 0.001 1 675 90 66 ARG HD2 H 3.217 0.002 1 676 90 66 ARG HD3 H 3.217 0.002 1 677 90 66 ARG HG2 H 1.642 0.001 1 678 90 66 ARG HG3 H 1.681 0.004 1 679 90 66 ARG CA C 58.697 0.034 1 680 90 66 ARG CB C 30.466 0.055 1 681 90 66 ARG CD C 43.434 0.000 1 682 90 66 ARG CG C 27.170 0.000 1 683 90 66 ARG N N 122.930 0.001 1 684 91 67 LEU H H 8.706 0.003 1 685 91 67 LEU HA H 4.071 0.005 1 686 91 67 LEU HB2 H 1.832 0.003 1 687 91 67 LEU HB3 H 1.832 0.003 1 688 91 67 LEU HD1 H 0.935 0.000 1 689 91 67 LEU HD2 H 0.905 0.002 1 690 91 67 LEU HG H 1.833 0.002 1 691 91 67 LEU CA C 58.477 0.024 1 692 91 67 LEU CB C 41.276 0.000 1 693 91 67 LEU CD1 C 25.710 0.043 1 694 91 67 LEU CD2 C 25.765 0.000 1 695 91 67 LEU CG C 27.354 0.030 1 696 91 67 LEU N N 122.792 0.004 1 697 92 68 GLN H H 8.053 0.006 1 698 92 68 GLN HA H 4.188 0.003 1 699 92 68 GLN HB2 H 2.337 0.003 2 700 92 68 GLN HB3 H 2.246 0.003 2 701 92 68 GLN HE21 H 7.462 0.001 2 702 92 68 GLN HE22 H 6.908 0.005 2 703 92 68 GLN HG2 H 2.560 0.003 2 704 92 68 GLN HG3 H 2.475 0.002 2 705 92 68 GLN CA C 59.150 0.000 1 706 92 68 GLN CB C 27.840 0.000 1 707 92 68 GLN CG C 34.024 0.004 1 708 92 68 GLN N N 120.411 0.026 1 709 93 69 GLY H H 7.965 0.004 1 710 93 69 GLY HA2 H 3.970 0.003 1 711 93 69 GLY HA3 H 3.970 0.003 1 712 93 69 GLY CA C 47.143 0.000 1 713 93 69 GLY N N 107.609 0.010 1 714 94 70 LEU H H 7.889 0.008 1 715 94 70 LEU HA H 4.233 0.005 1 716 94 70 LEU HB2 H 1.991 0.004 2 717 94 70 LEU HB3 H 1.633 0.006 2 718 94 70 LEU HD1 H 0.541 0.005 2 719 94 70 LEU HD2 H 0.490 0.004 2 720 94 70 LEU HG H 1.684 0.001 1 721 94 70 LEU CA C 57.672 0.000 1 722 94 70 LEU CB C 42.693 0.022 1 723 94 70 LEU CD1 C 24.858 0.012 2 724 94 70 LEU CD2 C 23.886 0.039 2 725 94 70 LEU CG C 26.788 0.000 1 726 94 70 LEU N N 124.701 0.002 1 727 95 71 GLN H H 8.129 0.004 1 728 95 71 GLN HA H 4.015 0.007 1 729 95 71 GLN HB2 H 2.302 0.007 2 730 95 71 GLN HB3 H 2.200 0.004 2 731 95 71 GLN HE21 H 7.585 0.002 2 732 95 71 GLN HE22 H 6.876 0.005 2 733 95 71 GLN HG2 H 2.393 0.006 1 734 95 71 GLN HG3 H 2.393 0.006 1 735 95 71 GLN CA C 58.687 0.000 1 736 95 71 GLN CB C 28.640 0.000 1 737 95 71 GLN CG C 34.125 0.060 1 738 95 71 GLN N N 119.442 0.006 1 739 96 72 LYS H H 7.967 0.008 1 740 96 72 LYS HA H 4.087 0.004 1 741 96 72 LYS HB2 H 2.065 0.003 2 742 96 72 LYS HB3 H 1.955 0.004 2 743 96 72 LYS HD2 H 1.791 0.000 2 744 96 72 LYS HD3 H 1.701 0.000 2 745 96 72 LYS HE2 H 3.088 0.001 1 746 96 72 LYS HE3 H 3.088 0.001 1 747 96 72 LYS HG2 H 1.578 0.002 2 748 96 72 LYS HG3 H 1.505 0.004 2 749 96 72 LYS CA C 59.600 0.000 1 750 96 72 LYS CB C 32.331 0.019 1 751 96 72 LYS CD C 29.213 0.067 1 752 96 72 LYS CE C 42.528 0.069 1 753 96 72 LYS CG C 25.154 0.026 1 754 96 72 LYS N N 120.556 0.021 1 755 97 73 LEU H H 7.874 0.008 1 756 97 73 LEU HA H 4.392 0.005 1 757 97 73 LEU HB2 H 2.221 0.003 1 758 97 73 LEU HB3 H 1.914 0.004 1 759 97 73 LEU HD1 H 1.147 0.006 2 760 97 73 LEU HD2 H 0.948 0.005 2 761 97 73 LEU HG H 1.908 0.000 1 762 97 73 LEU CA C 58.336 0.072 1 763 97 73 LEU CB C 42.106 0.044 1 764 97 73 LEU CD1 C 23.848 0.005 2 765 97 73 LEU CD2 C 25.753 0.051 2 766 97 73 LEU CG C 27.316 0.105 1 767 97 73 LEU N N 119.444 0.004 1 768 98 74 ILE H H 8.132 0.008 1 769 98 74 ILE HA H 3.673 0.006 1 770 98 74 ILE HB H 2.002 0.001 1 771 98 74 ILE HD1 H 0.771 0.006 1 772 98 74 ILE HG12 H 1.818 0.005 2 773 98 74 ILE HG13 H 1.066 0.006 2 774 98 74 ILE HG2 H 0.867 0.002 1 775 98 74 ILE CA C 65.691 0.001 1 776 98 74 ILE CB C 37.672 0.030 1 777 98 74 ILE CD1 C 13.452 0.015 1 778 98 74 ILE CG1 C 29.755 0.015 1 779 98 74 ILE CG2 C 17.014 0.008 1 780 98 74 ILE N N 119.109 0.008 1 781 99 75 ASN H H 8.216 0.004 1 782 99 75 ASN HA H 4.380 0.003 1 783 99 75 ASN HB2 H 3.013 0.006 2 784 99 75 ASN HB3 H 2.908 0.004 2 785 99 75 ASN HD21 H 6.947 0.003 1 786 99 75 ASN HD22 H 7.676 0.003 1 787 99 75 ASN CA C 56.150 0.005 1 788 99 75 ASN CB C 37.891 0.033 1 789 99 75 ASN N N 119.627 0.008 1 790 100 76 ASP H H 8.837 0.007 1 791 100 76 ASP HA H 4.652 0.005 1 792 100 76 ASP HB2 H 2.958 0.004 2 793 100 76 ASP HB3 H 2.897 0.005 2 794 100 76 ASP CA C 56.341 0.060 1 795 100 76 ASP CB C 40.798 0.057 1 796 100 76 ASP N N 119.034 0.002 1 797 101 77 SER H H 7.720 0.004 1 798 101 77 SER HA H 4.373 0.005 1 799 101 77 SER HB2 H 3.407 0.003 1 800 101 77 SER HB3 H 3.407 0.003 1 801 101 77 SER CA C 58.874 0.000 1 802 101 77 SER CB C 63.619 0.039 1 803 101 77 SER N N 114.302 0.002 1 804 102 78 VAL H H 7.095 0.006 1 805 102 78 VAL HA H 3.407 0.002 1 806 102 78 VAL HB H 1.985 0.003 1 807 102 78 VAL HG1 H 0.871 0.001 1 808 102 78 VAL HG2 H 0.756 0.004 1 809 102 78 VAL CA C 65.433 0.039 1 810 102 78 VAL CB C 31.964 0.031 1 811 102 78 VAL CG1 C 21.274 0.020 1 812 102 78 VAL CG2 C 20.736 0.006 1 813 102 78 VAL N N 119.116 0.001 1 814 103 79 PHE H H 7.654 0.008 1 815 103 79 PHE HA H 4.398 0.002 1 816 103 79 PHE HB2 H 3.036 0.007 1 817 103 79 PHE HB3 H 2.868 0.005 1 818 103 79 PHE HD1 H 7.224 0.004 1 819 103 79 PHE HD2 H 7.224 0.004 1 820 103 79 PHE HE1 H 7.439 0.004 1 821 103 79 PHE HE2 H 7.439 0.004 1 822 103 79 PHE HZ H 7.353 0.002 1 823 103 79 PHE CA C 58.965 0.005 1 824 103 79 PHE CB C 38.400 0.050 1 825 103 79 PHE CD1 C 131.808 0.000 1 826 103 79 PHE CD2 C 131.808 0.000 1 827 103 79 PHE CE1 C 131.960 0.000 1 828 103 79 PHE CE2 C 131.960 0.000 1 829 103 79 PHE N N 115.361 0.003 1 830 104 80 PHE H H 7.271 0.009 1 831 104 80 PHE HA H 4.917 0.005 1 832 104 80 PHE HB2 H 3.125 0.005 2 833 104 80 PHE HB3 H 2.850 0.002 2 834 104 80 PHE HD1 H 6.901 0.002 1 835 104 80 PHE HD2 H 6.901 0.002 1 836 104 80 PHE HE1 H 7.333 0.002 1 837 104 80 PHE HE2 H 7.333 0.002 1 838 104 80 PHE HZ H 7.353 0.000 1 839 104 80 PHE CA C 56.614 0.022 1 840 104 80 PHE CB C 40.416 0.040 1 841 104 80 PHE CD1 C 132.059 0.000 1 842 104 80 PHE CD2 C 132.059 0.000 1 843 104 80 PHE CE1 C 131.670 0.000 1 844 104 80 PHE CE2 C 131.670 0.000 1 845 104 80 PHE N N 114.166 0.005 1 846 105 81 LEU H H 6.943 0.005 1 847 105 81 LEU HA H 4.377 0.004 1 848 105 81 LEU HB2 H 1.266 0.007 1 849 105 81 LEU HB3 H 1.170 0.003 1 850 105 81 LEU HD1 H 0.091 0.004 1 851 105 81 LEU HD2 H 0.457 0.005 1 852 105 81 LEU HG H 1.233 0.006 1 853 105 81 LEU CA C 54.433 0.031 1 854 105 81 LEU CB C 43.800 0.023 1 855 105 81 LEU CD1 C 25.137 0.032 1 856 105 81 LEU CD2 C 23.202 0.011 1 857 105 81 LEU CG C 25.725 0.029 1 858 105 81 LEU N N 122.227 0.002 1 859 106 82 ALA H H 9.059 0.006 1 860 106 82 ALA HA H 4.323 0.003 1 861 106 82 ALA HB H 1.515 0.004 1 862 106 82 ALA CA C 51.650 0.018 1 863 106 82 ALA CB C 18.888 0.042 1 864 106 82 ALA N N 125.556 0.002 1 865 107 83 ALA H H 8.734 0.007 1 866 107 83 ALA HA H 3.944 0.003 1 867 107 83 ALA HB H 1.468 0.005 1 868 107 83 ALA CA C 55.782 0.047 1 869 107 83 ALA CB C 18.259 0.024 1 870 107 83 ALA N N 124.600 0.001 1 871 108 84 TYR H H 8.572 0.003 1 872 108 84 TYR HA H 4.169 0.003 1 873 108 84 TYR HB2 H 3.188 0.006 2 874 108 84 TYR HB3 H 2.789 0.003 2 875 108 84 TYR HD1 H 7.120 0.002 1 876 108 84 TYR HD2 H 7.120 0.002 1 877 108 84 TYR HE1 H 6.811 0.003 1 878 108 84 TYR HE2 H 6.811 0.003 1 879 108 84 TYR CA C 61.099 0.038 1 880 108 84 TYR CB C 38.578 0.021 1 881 108 84 TYR CD1 C 133.528 0.000 1 882 108 84 TYR CD2 C 133.528 0.000 1 883 108 84 TYR CE1 C 118.455 0.000 1 884 108 84 TYR CE2 C 118.455 0.000 1 885 108 84 TYR N N 116.197 0.003 1 886 109 85 ASP H H 6.874 0.004 1 887 109 85 ASP HA H 4.369 0.002 1 888 109 85 ASP HB2 H 2.518 0.002 1 889 109 85 ASP HB3 H 2.572 0.003 1 890 109 85 ASP CA C 57.105 0.013 1 891 109 85 ASP CB C 41.351 0.024 1 892 109 85 ASP N N 118.760 0.003 1 893 110 86 LEU H H 8.117 0.007 1 894 110 86 LEU HA H 3.780 0.004 1 895 110 86 LEU HB2 H 1.741 0.005 2 896 110 86 LEU HB3 H 1.313 0.006 2 897 110 86 LEU HD1 H 0.809 0.004 2 898 110 86 LEU HD2 H 0.742 0.002 2 899 110 86 LEU HG H 1.365 0.003 1 900 110 86 LEU CA C 58.156 0.021 1 901 110 86 LEU CB C 41.470 0.019 1 902 110 86 LEU CD1 C 25.516 0.012 2 903 110 86 LEU CD2 C 24.476 0.014 2 904 110 86 LEU CG C 27.240 0.057 1 905 110 86 LEU N N 121.936 0.005 1 906 111 87 ARG H H 8.081 0.004 1 907 111 87 ARG HA H 4.088 0.002 1 908 111 87 ARG HB2 H 1.860 0.002 1 909 111 87 ARG HB3 H 1.860 0.002 1 910 111 87 ARG HD2 H 3.215 0.000 1 911 111 87 ARG HD3 H 3.215 0.000 1 912 111 87 ARG CA C 59.360 0.000 1 913 111 87 ARG CB C 29.753 0.000 1 914 111 87 ARG CD C 43.480 0.000 1 915 111 87 ARG N N 118.606 0.004 1 916 112 88 GLN H H 7.937 0.005 1 917 112 88 GLN HA H 3.950 0.005 1 918 112 88 GLN HB2 H 2.030 0.001 1 919 112 88 GLN HB3 H 2.030 0.001 1 920 112 88 GLN HE21 H 7.017 0.003 2 921 112 88 GLN HE22 H 6.823 0.008 2 922 112 88 GLN HG2 H 2.222 0.002 2 923 112 88 GLN HG3 H 2.032 0.004 2 924 112 88 GLN CA C 58.946 0.102 1 925 112 88 GLN CB C 28.470 0.000 1 926 112 88 GLN CG C 34.111 0.021 1 927 112 88 GLN N N 116.867 0.001 1 928 113 89 GLY H H 8.076 0.006 1 929 113 89 GLY HA2 H 3.635 0.006 1 930 113 89 GLY HA3 H 3.196 0.005 1 931 113 89 GLY CA C 47.061 0.043 1 932 113 89 GLY N N 108.523 0.002 1 933 114 90 GLN H H 8.640 0.004 1 934 114 90 GLN HA H 4.026 0.005 1 935 114 90 GLN HB2 H 2.322 0.001 1 936 114 90 GLN HB3 H 2.033 0.002 1 937 114 90 GLN HE21 H 7.248 0.008 2 938 114 90 GLN HE22 H 6.973 0.004 2 939 114 90 GLN HG2 H 2.537 0.004 2 940 114 90 GLN HG3 H 2.381 0.007 2 941 114 90 GLN CA C 59.431 0.033 1 942 114 90 GLN CB C 28.368 0.064 1 943 114 90 GLN CG C 34.184 0.035 1 944 114 90 GLN N N 121.177 0.002 1 945 115 91 GLU H H 8.611 0.006 1 946 115 91 GLU HA H 4.097 0.002 1 947 115 91 GLU HB2 H 2.117 0.004 2 948 115 91 GLU HB3 H 2.042 0.003 2 949 115 91 GLU HG2 H 2.505 0.002 2 950 115 91 GLU HG3 H 2.268 0.002 2 951 115 91 GLU CA C 59.406 0.000 1 952 115 91 GLU CB C 29.240 0.000 1 953 115 91 GLU CG C 36.624 0.054 1 954 115 91 GLU N N 120.673 0.017 1 955 116 92 ALA H H 7.999 0.003 1 956 116 92 ALA HA H 4.206 0.001 1 957 116 92 ALA HB H 1.701 0.003 1 958 116 92 ALA CA C 55.210 0.000 1 959 116 92 ALA CB C 18.249 0.006 1 960 116 92 ALA N N 122.238 0.001 1 961 117 93 LEU H H 8.410 0.003 1 962 117 93 LEU HA H 4.093 0.004 1 963 117 93 LEU HB2 H 1.877 0.003 1 964 117 93 LEU HB3 H 1.877 0.003 1 965 117 93 LEU HD1 H 1.017 0.004 2 966 117 93 LEU HD2 H 0.936 0.003 2 967 117 93 LEU HG H 1.942 0.001 1 968 117 93 LEU CA C 58.260 0.000 1 969 117 93 LEU CB C 41.460 0.005 1 970 117 93 LEU CD1 C 25.714 0.022 2 971 117 93 LEU CD2 C 24.920 0.000 2 972 117 93 LEU CG C 27.059 0.000 1 973 117 93 LEU N N 118.734 0.008 1 974 118 94 ALA H H 8.182 0.005 1 975 118 94 ALA HA H 4.264 0.004 1 976 118 94 ALA HB H 1.567 0.003 1 977 118 94 ALA CA C 55.291 0.064 1 978 118 94 ALA CB C 17.697 0.000 1 979 118 94 ALA N N 121.901 0.017 1 980 119 95 ARG H H 7.959 0.007 1 981 119 95 ARG HA H 4.188 0.004 1 982 119 95 ARG HB2 H 2.041 0.003 2 983 119 95 ARG HB3 H 1.976 0.001 2 984 119 95 ARG HG2 H 1.885 0.003 1 985 119 95 ARG HG3 H 1.885 0.003 1 986 119 95 ARG CA C 59.482 0.040 1 987 119 95 ARG CB C 30.160 0.020 1 988 119 95 ARG CG C 27.795 0.043 1 989 119 95 ARG N N 119.150 0.002 1 990 120 96 LEU H H 7.974 0.010 1 991 120 96 LEU HA H 4.141 0.004 1 992 120 96 LEU HB2 H 2.111 0.002 2 993 120 96 LEU HB3 H 1.388 0.003 2 994 120 96 LEU HD1 H 0.893 0.005 2 995 120 96 LEU HD2 H 0.834 0.001 2 996 120 96 LEU HG H 1.942 0.003 1 997 120 96 LEU CA C 57.879 0.000 1 998 120 96 LEU CB C 42.648 0.045 1 999 120 96 LEU CD1 C 23.236 0.029 2 1000 120 96 LEU CD2 C 25.607 0.066 2 1001 120 96 LEU CG C 27.111 0.002 1 1002 120 96 LEU N N 121.423 0.020 1 1003 121 97 GLN H H 8.795 0.006 1 1004 121 97 GLN HA H 3.958 0.004 1 1005 121 97 GLN HB2 H 2.299 0.006 2 1006 121 97 GLN HB3 H 2.111 0.002 2 1007 121 97 GLN HE21 H 7.353 0.004 2 1008 121 97 GLN HE22 H 6.787 0.005 2 1009 121 97 GLN HG2 H 2.560 0.002 2 1010 121 97 GLN HG3 H 2.450 0.002 2 1011 121 97 GLN CA C 59.245 0.026 1 1012 121 97 GLN CB C 28.154 0.021 1 1013 121 97 GLN CG C 33.935 0.074 1 1014 121 97 GLN N N 118.967 0.004 1 1015 122 98 ALA H H 7.966 0.002 1 1016 122 98 ALA HA H 4.264 0.003 1 1017 122 98 ALA HB H 1.568 0.007 1 1018 122 98 ALA CA C 55.060 0.000 1 1019 122 98 ALA CB C 17.650 0.000 1 1020 122 98 ALA N N 122.987 0.003 1 1021 123 99 ALA H H 8.008 0.005 1 1022 123 99 ALA HA H 4.248 0.001 1 1023 123 99 ALA HB H 1.566 0.004 1 1024 123 99 ALA CA C 55.029 0.066 1 1025 123 99 ALA CB C 18.140 0.000 1 1026 123 99 ALA N N 122.859 0.002 1 1027 124 100 LEU H H 8.537 0.004 1 1028 124 100 LEU HA H 3.961 0.004 1 1029 124 100 LEU HB2 H 2.074 0.004 2 1030 124 100 LEU HB3 H 1.473 0.005 2 1031 124 100 LEU HD1 H 0.931 0.001 2 1032 124 100 LEU HD2 H 0.946 0.000 2 1033 124 100 LEU HG H 1.605 0.004 1 1034 124 100 LEU CA C 58.922 0.040 1 1035 124 100 LEU CB C 41.487 0.031 1 1036 124 100 LEU CD1 C 24.828 0.002 2 1037 124 100 LEU CD2 C 26.335 0.001 2 1038 124 100 LEU CG C 27.670 0.000 1 1039 124 100 LEU N N 121.113 0.001 1 1040 125 101 ALA H H 7.922 0.006 1 1041 125 101 ALA HA H 4.060 0.001 1 1042 125 101 ALA HB H 1.558 0.002 1 1043 125 101 ALA CA C 55.342 0.018 1 1044 125 101 ALA CB C 17.842 0.037 1 1045 125 101 ALA N N 120.849 0.002 1 1046 126 102 GLU H H 7.994 0.005 1 1047 126 102 GLU HA H 4.089 0.002 1 1048 126 102 GLU HB2 H 2.157 0.004 1 1049 126 102 GLU HB3 H 2.157 0.004 1 1050 126 102 GLU HG2 H 2.344 0.001 1 1051 126 102 GLU HG3 H 2.344 0.001 1 1052 126 102 GLU CA C 59.070 0.000 1 1053 126 102 GLU CB C 29.493 0.066 1 1054 126 102 GLU CG C 35.911 0.000 1 1055 126 102 GLU N N 118.549 0.001 1 1056 127 103 ARG H H 8.306 0.011 1 1057 127 103 ARG HA H 4.203 0.000 1 1058 127 103 ARG CA C 57.619 0.088 1 1059 127 103 ARG CB C 29.538 0.022 1 1060 127 103 ARG N N 120.377 0.009 1 1061 128 104 ARG H H 8.486 0.004 1 1062 128 104 ARG HA H 3.800 0.007 1 1063 128 104 ARG HB2 H 1.897 0.004 1 1064 128 104 ARG HB3 H 1.897 0.004 1 1065 128 104 ARG HD2 H 3.191 0.004 2 1066 128 104 ARG HD3 H 3.144 0.004 2 1067 128 104 ARG HG2 H 1.766 0.001 2 1068 128 104 ARG HG3 H 1.603 0.002 2 1069 128 104 ARG CA C 59.829 0.053 1 1070 128 104 ARG CB C 30.373 0.048 1 1071 128 104 ARG CD C 43.640 0.000 1 1072 128 104 ARG CG C 28.351 0.003 1 1073 128 104 ARG N N 118.351 0.001 1 1074 129 105 ARG H H 7.627 0.005 1 1075 129 105 ARG HA H 4.112 0.006 1 1076 129 105 ARG HB2 H 1.946 0.004 1 1077 129 105 ARG HB3 H 1.946 0.004 1 1078 129 105 ARG HD2 H 3.254 0.001 1 1079 129 105 ARG HD3 H 3.254 0.001 1 1080 129 105 ARG HG2 H 1.821 0.001 2 1081 129 105 ARG HG3 H 1.661 0.000 2 1082 129 105 ARG CA C 59.020 0.000 1 1083 129 105 ARG CB C 30.240 0.000 1 1084 129 105 ARG CD C 43.533 0.056 1 1085 129 105 ARG CG C 27.616 0.047 1 1086 129 105 ARG N N 117.968 0.003 1 1087 130 106 GLY H H 7.818 0.004 1 1088 130 106 GLY HA2 H 4.081 0.002 2 1089 130 106 GLY HA3 H 3.905 0.003 2 1090 130 106 GLY CA C 45.939 0.038 1 1091 130 106 GLY N N 105.465 0.003 1 1092 131 107 LEU H H 7.451 0.004 1 1093 131 107 LEU HA H 4.405 0.004 1 1094 131 107 LEU HB2 H 1.650 0.002 2 1095 131 107 LEU HB3 H 1.551 0.004 2 1096 131 107 LEU HD1 H 0.727 0.004 1 1097 131 107 LEU HD2 H 0.785 0.006 1 1098 131 107 LEU HG H 1.695 0.003 1 1099 131 107 LEU CA C 55.029 0.024 1 1100 131 107 LEU CB C 42.866 0.017 1 1101 131 107 LEU CD1 C 25.524 0.019 1 1102 131 107 LEU CD2 C 23.330 0.038 1 1103 131 107 LEU CG C 26.817 0.000 1 1104 131 107 LEU N N 120.292 0.008 1 1105 132 108 GLN H H 7.915 0.004 1 1106 132 108 GLN HA H 4.580 0.004 1 1107 132 108 GLN HB2 H 2.123 0.004 2 1108 132 108 GLN HB3 H 2.027 0.003 2 1109 132 108 GLN HE21 H 7.526 0.005 2 1110 132 108 GLN HE22 H 6.911 0.005 2 1111 132 108 GLN HG2 H 2.464 0.002 1 1112 132 108 GLN HG3 H 2.464 0.002 1 1113 132 108 GLN CA C 53.928 0.012 1 1114 132 108 GLN CB C 29.063 0.070 1 1115 132 108 GLN CG C 33.668 0.011 1 1116 132 108 GLN N N 121.501 0.005 1 1117 133 109 PRO HA H 4.464 0.006 1 1118 133 109 PRO HB2 H 2.347 0.004 2 1119 133 109 PRO HB3 H 1.929 0.003 2 1120 133 109 PRO HD2 H 3.808 0.003 2 1121 133 109 PRO HD3 H 3.671 0.003 2 1122 133 109 PRO HG2 H 2.053 0.004 1 1123 133 109 PRO HG3 H 2.053 0.004 1 1124 133 109 PRO CA C 63.216 0.016 1 1125 133 109 PRO CB C 32.250 0.040 1 1126 133 109 PRO CD C 50.688 0.011 1 1127 133 109 PRO CG C 27.539 0.027 1 1128 134 110 LYS H H 8.479 0.006 1 1129 134 110 LYS HA H 4.326 0.004 1 1130 134 110 LYS HB2 H 1.881 0.002 2 1131 134 110 LYS HB3 H 1.790 0.003 2 1132 134 110 LYS HD2 H 1.712 0.000 1 1133 134 110 LYS HD3 H 1.712 0.000 1 1134 134 110 LYS HE2 H 3.046 0.000 1 1135 134 110 LYS HE3 H 3.046 0.000 1 1136 134 110 LYS HG2 H 1.529 0.000 2 1137 134 110 LYS HG3 H 1.500 0.000 2 1138 134 110 LYS CA C 56.362 0.022 1 1139 134 110 LYS CB C 33.028 0.012 1 1140 134 110 LYS CD C 29.130 0.000 1 1141 134 110 LYS CE C 42.273 0.039 1 1142 134 110 LYS CG C 24.830 0.000 1 1143 134 110 LYS N N 122.547 0.010 1 1144 135 111 LYS H H 7.997 0.004 1 1145 135 111 LYS HA H 4.165 0.005 1 1146 135 111 LYS HB2 H 1.836 0.000 2 1147 135 111 LYS HB3 H 1.715 0.000 2 1148 135 111 LYS HD2 H 1.690 0.002 1 1149 135 111 LYS HD3 H 1.690 0.002 1 1150 135 111 LYS HE2 H 2.976 0.001 1 1151 135 111 LYS HE3 H 2.976 0.001 1 1152 135 111 LYS HG2 H 1.414 0.000 1 1153 135 111 LYS HG3 H 1.414 0.000 1 1154 135 111 LYS CA C 57.660 0.000 1 1155 135 111 LYS CB C 33.831 0.012 1 1156 135 111 LYS CD C 29.200 0.000 1 1157 135 111 LYS CE C 42.173 0.012 1 1158 135 111 LYS CG C 25.006 0.000 1 1159 135 111 LYS N N 128.334 0.002 1 stop_ save_