data_4232 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N-Domain of Troponin C from Chicken Skeletal Muscle. ; _BMRB_accession_number 4232 _BMRB_flat_file_name bmr4232.str _Entry_type original _Submission_date 1998-09-27 _Accession_date 1998-10-14 _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 Tsuda Sakae . . 2 Miura A. . . 3 Gagne S. M. . 4 Spyracopoulos L. . . 5 Sykes Brian D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 674 "13C chemical shifts" 259 "15N chemical shifts" 184 "coupling constants" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-05-25 original author . stop_ _Original_release_date 1999-05-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Tsuda, S., Miura, A., Gagne, S. M., Spyracopoulos, L., and Sykes, B.D., "Low Temperature-Induced Structural Changes in the Apo Regulatory Domain of Skeletal Muscle Troponin C," Biochemistry 38, 5693-5700 (1999). ; _Citation_title ; Low Temperature-Induced Structural Changes in the Apo Regulatory Domain of Skeletal Muscle Troponin C ; _Citation_status published _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 Tsuda Sakae . . 2 Miura A. . . 3 Gagne S. M. . 4 Spyracopoulos L. . . 5 Sykes Brian D. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 38 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5693 _Page_last 5700 _Year 1999 _Details . loop_ _Keyword 'calcium-binding protein' Ef-hand low-temperature stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_one _Saveframe_category citation _Citation_full ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation_title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8589602 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wishart 'D S' S. . 2 Bigam 'C G' G. . 3 Yao J . . 4 Abildgaard F . . 5 Dyson 'H J' J. . 6 Oldfield E . . 7 Markley 'J L' L. . 8 Sykes 'B D' D. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 6 _Journal_issue 2 _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 135 _Page_last 140 _Year 1995 _Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; save_ ################################## # Molecular system description # ################################## save_system_apoNTnC _Saveframe_category molecular_system _Mol_system_name 'Calcium binding subunit of troponin, TnC monomer' _Abbreviation_common apoNTnC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label apoNTnC $apoNTnC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_apoNTnC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apoTroponin-C _Abbreviation_common apoNTnC _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; ASMTDQQAEARAFLSEEMIA EFKAAFDMFDADGGGDISTK ELGTVMRMLGQNPTKEELDA IIEEVDEDGSGTIDFEEFLV MMVRQMKEDA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 SER 3 3 MET 4 4 THR 5 5 ASP 6 6 GLN 7 7 GLN 8 8 ALA 9 9 GLU 10 10 ALA 11 11 ARG 12 12 ALA 13 13 PHE 14 14 LEU 15 15 SER 16 16 GLU 17 17 GLU 18 18 MET 19 19 ILE 20 20 ALA 21 21 GLU 22 22 PHE 23 23 LYS 24 24 ALA 25 25 ALA 26 26 PHE 27 27 ASP 28 28 MET 29 29 PHE 30 30 ASP 31 31 ALA 32 32 ASP 33 33 GLY 34 34 GLY 35 35 GLY 36 36 ASP 37 37 ILE 38 38 SER 39 39 THR 40 40 LYS 41 41 GLU 42 42 LEU 43 43 GLY 44 44 THR 45 45 VAL 46 46 MET 47 47 ARG 48 48 MET 49 49 LEU 50 50 GLY 51 51 GLN 52 52 ASN 53 53 PRO 54 54 THR 55 55 LYS 56 56 GLU 57 57 GLU 58 58 LEU 59 59 ASP 60 60 ALA 61 61 ILE 62 62 ILE 63 63 GLU 64 64 GLU 65 65 VAL 66 66 ASP 67 67 GLU 68 68 ASP 69 69 GLY 70 70 SER 71 71 GLY 72 72 THR 73 73 ILE 74 74 ASP 75 75 PHE 76 76 GLU 77 77 GLU 78 78 PHE 79 79 LEU 80 80 VAL 81 81 MET 82 82 MET 83 83 VAL 84 84 ARG 85 85 GLN 86 86 MET 87 87 LYS 88 88 GLU 89 89 ASP 90 90 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16414 TnC 100.00 90 97.78 97.78 1.36e-52 BMRB 4401 "skeletal N-troponin C" 100.00 90 100.00 100.00 1.50e-54 PDB 1AVS "X-Ray Crystallographic Study Of Calcium-Saturated N- Terminal Domain Of Troponin C" 100.00 90 100.00 100.00 1.50e-54 PDB 1BLQ "Structure And Interaction Site Of The Regulatory Domain Of Troponin-C When Complexed With The 96-148 Region Of Troponin-I, Nmr," 100.00 90 100.00 100.00 1.50e-54 PDB 1NPQ "Structure Of A Rhodamine-Labeled N-Domain Troponin C Mutant (Ca2+ Saturated) In Complex With Skeletal Troponin I 115- 131" 100.00 90 97.78 97.78 1.36e-52 PDB 1SKT "Solution Structure Of Apo N-Domain Of Troponin C, Nmr, 40 Structures" 100.00 90 100.00 100.00 1.50e-54 PDB 1SMG "Calcium-Bound E41a Mutant Of The N-Domain Of Chicken Troponin C, Nmr, 40 Structures" 100.00 90 98.89 98.89 1.10e-53 PDB 1TNP "Structures Of The Apo And Calcium Troponin-C Regulatory Domains: The Muscle Contraction Switch" 100.00 90 100.00 100.00 1.50e-54 PDB 1TNQ "Structures Of The Apo And Calcium Troponin-C Regulatory Domains: The Muscle Contraction Switch" 100.00 90 100.00 100.00 1.50e-54 PDB 1TRF "Solution Structure Of The Tr1c Fragment Of Skeletal Muscle Troponin-C" 84.44 76 100.00 100.00 2.15e-44 PDB 1ZAC "N-Domain Of Troponin C From Chicken Skeletal Muscle, Nmr, Minimized Average Structure" 100.00 90 100.00 100.00 1.50e-54 GB EMP28292 "Acyl-coenzyme A thioesterase 8 [Chelonia mydas]" 96.67 392 97.70 98.85 4.22e-49 GB KFU86923 "Troponin C, skeletal muscle, partial [Chaetura pelagica]" 100.00 108 97.78 97.78 1.76e-52 REF XP_007067817 "PREDICTED: troponin C, skeletal muscle [Chelonia mydas]" 96.67 160 97.70 98.85 4.23e-50 REF XP_009321443 "PREDICTED: troponin C, skeletal muscle [Pygoscelis adeliae]" 76.67 120 100.00 100.00 1.89e-39 REF XP_009582608 "PREDICTED: troponin C, skeletal muscle, partial [Fulmarus glacialis]" 73.33 120 100.00 100.00 3.44e-36 REF XP_009693659 "PREDICTED: troponin C, skeletal muscle, partial [Cariama cristata]" 96.67 145 97.70 97.70 1.79e-49 REF XP_009992324 "PREDICTED: troponin C, skeletal muscle [Chaetura pelagica]" 96.67 112 100.00 100.00 2.85e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue _Gene_mnemonic $apoNTnC Chicken 9031 Eukaryota Metazoa Gallus gallus 'skeletal muscle' NTNC stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $apoNTnC 'recombinant technology' 'E. coli' Escherichia coli . plasmid pET3a ; see Protein Sci. 3,1961-1974 (1994). Residues 1-90 of chicken skeletal muscle Troponin C ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apoNTnC 1.5 mM '[U-13C; U-15N]' KCl 50 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY _Field_strength 500 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCACONNH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _Sample_label $sample_one save_ save_15N-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY _Sample_label $sample_one save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_one save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details ; The imino proton assignments were made on the same sample, except in 90:10 H2O/D2O and 293 K ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.7 0.2 n/a pressure 1 . atm temperature 277 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 _Indirect_shift_ratio_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $citation_one DSS H 1 'methyl protons' ppm 0.00 . direct . . . 1.0 $citation_one DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $citation_one 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_chemical_shifts_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name apoNTnC _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 . 1 ALA HA H 4.99 . 1 2 . 2 SER H H 8.90 . 1 3 . 2 SER HA H 4.53 . 1 4 . 2 SER CA C 64.18 . 1 5 . 2 SER N N 123.4 . 1 6 . 3 MET H H 9.06 . 1 7 . 3 MET HA H 4.61 . 1 8 . 3 MET CA C 56.54 . 1 9 . 3 MET N N 123.8 . 1 10 . 4 THR H H 8.25 . 1 11 . 4 THR HA H 4.12 . 1 12 . 4 THR CA C 56.16 . 1 13 . 4 THR N N 115.3 . 1 14 . 5 ASP H H 8.51 . 1 15 . 5 ASP HA H 4.48 . 1 16 . 5 ASP CA C 56.98 . 1 17 . 5 ASP N N 120.9 . 1 18 . 6 GLN H H 8.46 . 1 19 . 6 GLN HA H 3.95 . 1 20 . 6 GLN CA C 58.43 . 1 21 . 6 GLN N N 119.6 . 1 22 . 7 GLN H H 8.01 . 1 23 . 7 GLN HA H 3.97 . 1 24 . 7 GLN CA C 58.63 . 1 25 . 7 GLN N N 122.9 . 1 26 . 8 ALA H H 8.04 . 1 27 . 8 ALA HA H 4.14 . 1 28 . 8 ALA CA C 61.76 . 1 29 . 8 ALA N N 123.0 . 1 30 . 9 GLU H H 8.18 . 1 31 . 9 GLU HA H 4.06 . 1 32 . 9 GLU CA C 58.91 . 1 33 . 9 GLU N N 112.0 . 1 34 . 10 ALA H H 8.16 . 1 35 . 10 ALA HA H 4.13 . 1 36 . 10 ALA CA C 55.70 . 1 37 . 10 ALA N N 124.2 . 1 38 . 11 ARG H H 7.95 . 1 39 . 11 ARG HA H 3.89 . 1 40 . 11 ARG CA C 59.43 . 1 41 . 11 ARG N N 115.3 . 1 42 . 12 ALA H H 7.65 . 1 43 . 12 ALA HA H 4.28 . 1 44 . 12 ALA CA C 67.10 . 1 45 . 12 ALA N N 119.3 . 1 46 . 13 PHE H H 7.76 . 1 47 . 13 PHE HA H 4.31 . 1 48 . 13 PHE CA C 59.65 . 1 49 . 13 PHE N N 119.3 . 1 50 . 14 LEU H H 7.46 . 1 51 . 14 LEU HA H 4.34 . 1 52 . 14 LEU CA C 53.34 . 1 53 . 14 LEU N N 118.8 . 1 54 . 15 SER H H 8.12 . 1 55 . 15 SER HA H 4.47 . 1 56 . 15 SER CA C 65.07 . 1 57 . 15 SER N N 116.9 . 1 58 . 16 GLU H H 9.13 . 1 59 . 16 GLU HA H 3.91 . 1 60 . 16 GLU CA C 59.99 . 1 61 . 16 GLU N N 121.7 . 1 62 . 17 GLU H H 9.01 . 1 63 . 17 GLU HA H 4.05 . 1 64 . 17 GLU CA C 60.12 . 1 65 . 17 GLU N N 120.1 . 1 66 . 18 MET H H 7.99 . 1 67 . 18 MET HA H 4.04 . 1 68 . 18 MET CA C 58.64 . 1 69 . 18 MET N N 122.5 . 1 70 . 19 ILE H H 8.22 . 1 71 . 19 ILE HA H 3.36 . 1 72 . 19 ILE CA C 66.93 . 1 73 . 19 ILE N N 119.3 . 1 74 . 20 ALA H H 7.86 . 1 75 . 20 ALA HA H 4.21 . 1 76 . 20 ALA CA C 60.14 . 1 77 . 20 ALA N N 120.5 . 1 78 . 21 GLU H H 7.97 . 1 79 . 21 GLU HA H 4.18 . 1 80 . 21 GLU CA C 59.59 . 1 81 . 21 GLU N N 122.5 . 1 82 . 22 PHE H H 9.21 . 1 83 . 22 PHE HA H 4.93 . 1 84 . 22 PHE CA C 57.95 . 1 85 . 22 PHE N N 122.1 . 1 86 . 23 LYS H H 9.29 . 1 87 . 23 LYS HA H 3.74 . 1 88 . 23 LYS CA C 58.65 . 1 89 . 23 LYS N N 121.7 . 1 90 . 24 ALA H H 7.92 . 1 91 . 24 ALA HA H 4.18 . 1 92 . 24 ALA CA C 54.85 . 1 93 . 24 ALA N N 120.1 . 1 94 . 25 ALA H H 7.37 . 1 95 . 25 ALA HA H 4.34 . 1 96 . 25 ALA CA C 54.87 . 1 97 . 25 ALA N N 119.7 . 1 98 . 26 PHE H H 8.41 . 1 99 . 26 PHE HA H 3.69 . 1 100 . 26 PHE CA C 62.43 . 1 101 . 26 PHE N N 119.4 . 1 102 . 27 ASP H H 9.12 . 1 103 . 27 ASP HA H 4.34 . 1 104 . 27 ASP CA C 56.90 . 1 105 . 27 ASP N N 115.9 . 1 106 . 28 MET H H 7.49 . 1 107 . 28 MET HA H 3.94 . 1 108 . 28 MET CA C 58.11 . 1 109 . 28 MET N N 118.5 . 1 110 . 29 PHE H H 7.73 . 1 111 . 29 PHE HA H 4.35 . 1 112 . 29 PHE CA C 58.00 . 1 113 . 29 PHE N N 116.4 . 1 114 . 30 ASP H H 7.26 . 1 115 . 30 ASP HA H 4.93 . 1 116 . 30 ASP CA C 52.29 . 1 117 . 30 ASP N N 122.9 . 1 118 . 31 ALA H H 8.34 . 1 119 . 31 ALA HA H 4.08 . 1 120 . 31 ALA CA C 54.77 . 1 121 . 31 ALA N N 127.5 . 1 122 . 32 ASP H H 8.44 . 1 123 . 32 ASP HA H 4.75 . 1 124 . 32 ASP CA C 53.69 . 1 125 . 32 ASP N N 114.7 . 1 126 . 33 GLY H H 8.17 . 1 127 . 33 GLY HA2 H 3.98 . 1 128 . 33 GLY HA3 H 3.79 . 1 129 . 33 GLY CA C 46.82 . 1 130 . 33 GLY N N 111.9 . 1 131 . 34 GLY H H 8.86 . 1 132 . 34 GLY HA2 H 4.17 . 1 133 . 34 GLY HA3 H 3.93 . 1 134 . 34 GLY CA C 45.81 . 1 135 . 34 GLY N N 110.7 . 1 136 . 35 GLY H H 10.44 . 1 137 . 35 GLY HA2 H 4.37 . 1 138 . 35 GLY HA3 H 3.79 . 1 139 . 35 GLY CA C 45.52 . 1 140 . 35 GLY N N 113.6 . 1 141 . 36 ASP H H 7.87 . 1 142 . 36 ASP HA H 5.59 . 1 143 . 36 ASP CA C 52.45 . 1 144 . 36 ASP N N 118.1 . 1 145 . 37 ILE H H 8.34 . 1 146 . 37 ILE HA H 4.64 . 1 147 . 37 ILE CA C 58.92 . 1 148 . 37 ILE N N 110.9 . 1 149 . 38 SER H H 8.72 . 1 150 . 38 SER HA H 4.87 . 1 151 . 38 SER CA C 63.86 . 1 152 . 38 SER N N 114.5 . 1 153 . 39 THR H H 8.71 . 1 154 . 39 THR HA H 3.74 . 1 155 . 39 THR CA C 65.09 . 1 156 . 39 THR N N 119.3 . 1 157 . 40 LYS H H 8.20 . 1 158 . 40 LYS HA H 4.14 . 1 159 . 40 LYS CA C 58.39 . 1 160 . 40 LYS N N 120.5 . 1 161 . 41 GLU H H 7.58 . 1 162 . 41 GLU HA H 4.73 . 1 163 . 41 GLU CA C 54.64 . 1 164 . 41 GLU N N 116.2 . 1 165 . 42 LEU H H 7.15 . 1 166 . 42 LEU HA H 3.78 . 1 167 . 42 LEU CA C 58.37 . 1 168 . 42 LEU N N 120.5 . 1 169 . 43 GLY H H 8.97 . 1 170 . 43 GLY HA2 H 3.76 . 1 171 . 43 GLY HA3 H 3.47 . 1 172 . 43 GLY CA C 47.98 . 1 173 . 43 GLY N N 106.5 . 1 174 . 44 THR H H 7.57 . 1 175 . 44 THR HA H 3.74 . 1 176 . 44 THR CA C 66.08 . 1 177 . 44 THR N N 118.6 . 1 178 . 45 VAL H H 7.73 . 1 179 . 45 VAL HA H 3.59 . 1 180 . 45 VAL CA C 66.12 . 1 181 . 45 VAL N N 122.5 . 1 182 . 46 MET H H 8.48 . 1 183 . 46 MET HA H 3.79 . 1 184 . 46 MET CA C 61.49 . 1 185 . 46 MET N N 118.1 . 1 186 . 47 ARG H H 8.29 . 1 187 . 47 ARG HA H 4.65 . 1 188 . 47 ARG CA C 55.14 . 1 189 . 47 ARG N N 118.8 . 1 190 . 48 MET H H 8.02 . 1 191 . 48 MET HA H 4.24 . 1 192 . 48 MET CA C 59.02 . 1 193 . 48 MET N N 122.2 . 1 194 . 49 LEU H H 7.34 . 1 195 . 49 LEU HA H 4.60 . 1 196 . 49 LEU CA C 53.75 . 1 197 . 49 LEU N N 118.1 . 1 198 . 50 GLY H H 7.77 . 1 199 . 50 GLY HA2 H 4.27 . 1 200 . 50 GLY HA3 H 3.82 . 1 201 . 50 GLY CA C 45.94 . 1 202 . 50 GLY N N 107.3 . 1 203 . 51 GLN H H 8.08 . 1 204 . 51 GLN HA H 4.46 . 1 205 . 51 GLN CA C 53.45 . 1 206 . 51 GLN N N 118.6 . 1 207 . 52 ASN H H 8.87 . 1 208 . 52 ASN HA H 5.20 . 1 209 . 52 ASN N N 117.4 . 1 210 . 53 PRO HA H 4.76 . 1 211 . 53 PRO CA C 62.44 . 1 212 . 54 THR H H 8.99 . 1 213 . 54 THR HA H 4.35 . 1 214 . 54 THR CA C 71.16 . 1 215 . 54 THR N N 114.9 . 1 216 . 55 LYS H H 8.98 . 1 217 . 55 LYS HA H 3.95 . 1 218 . 55 LYS CA C 60.10 . 1 219 . 55 LYS N N 122.6 . 1 220 . 56 GLU H H 8.78 . 1 221 . 56 GLU HA H 4.04 . 1 222 . 56 GLU CA C 60.52 . 1 223 . 56 GLU N N 117.6 . 1 224 . 57 GLU H H 7.95 . 1 225 . 57 GLU HA H 3.40 . 1 226 . 57 GLU CA C 58.90 . 1 227 . 57 GLU N N 121.7 . 1 228 . 58 LEU H H 8.66 . 1 229 . 58 LEU HA H 4.03 . 1 230 . 58 LEU CA C 57.79 . 1 231 . 58 LEU N N 122.1 . 1 232 . 59 ASP H H 8.75 . 1 233 . 59 ASP HA H 4.33 . 1 234 . 59 ASP CA C 57.47 . 1 235 . 59 ASP N N 119.7 . 1 236 . 60 ALA H H 7.52 . 1 237 . 60 ALA HA H 4.22 . 1 238 . 60 ALA CA C 55.03 . 1 239 . 60 ALA N N 122.1 . 1 240 . 61 ILE H H 8.01 . 1 241 . 61 ILE HA H 3.76 . 1 242 . 61 ILE CA C 65.45 . 1 243 . 61 ILE N N 122.2 . 1 244 . 62 ILE H H 8.55 . 1 245 . 62 ILE HA H 3.43 . 1 246 . 62 ILE CA C 66.22 . 1 247 . 62 ILE N N 120.9 . 1 248 . 63 GLU H H 7.80 . 1 249 . 63 GLU HA H 3.99 . 1 250 . 63 GLU CA C 58.89 . 1 251 . 63 GLU N N 118.1 . 1 252 . 64 GLU H H 7.53 . 1 253 . 64 GLU HA H 4.12 . 1 254 . 64 GLU CA C 58.65 . 1 255 . 64 GLU N N 117.7 . 1 256 . 65 VAL H H 8.27 . 1 257 . 65 VAL HA H 4.29 . 1 258 . 65 VAL CA C 62.95 . 1 259 . 65 VAL N N 113.7 . 1 260 . 66 ASP H H 8.36 . 1 261 . 66 ASP HA H 5.26 . 1 262 . 66 ASP CA C 52.82 . 1 263 . 66 ASP N N 122.4 . 1 264 . 67 GLU H H 8.19 . 1 265 . 67 GLU HA H 4.12 . 1 266 . 67 GLU CA C 59.25 . 1 267 . 67 GLU N N 123.7 . 1 268 . 68 ASP H H 8.63 . 1 269 . 68 ASP HA H 4.64 . 1 270 . 68 ASP CA C 53.57 . 1 271 . 68 ASP N N 116.1 . 1 272 . 69 GLY H H 7.94 . 1 273 . 69 GLY HA2 H 3.95 . 1 274 . 69 GLY HA3 H 3.85 . 1 275 . 69 GLY CA C 47.00 . 1 276 . 69 GLY N N 110.5 . 1 277 . 70 SER H H 9.17 . 1 278 . 70 SER HA H 4.24 . 1 279 . 70 SER CA C 63.88 . 1 280 . 70 SER N N 119.7 . 1 281 . 71 GLY H H 10.51 . 1 282 . 71 GLY HA2 H 4.16 . 1 283 . 71 GLY HA3 H 3.86 . 1 284 . 71 GLY CA C 45.84 . 1 285 . 71 GLY N N 114.5 . 1 286 . 72 THR H H 7.95 . 1 287 . 72 THR HA H 5.43 . 1 288 . 72 THR CA C 59.42 . 1 289 . 72 THR N N 112.4 . 1 290 . 73 ILE H H 8.88 . 1 291 . 73 ILE HA H 4.80 . 1 292 . 73 ILE CA C 59.32 . 1 293 . 73 ILE N N 117.2 . 1 294 . 74 ASP H H 8.81 . 1 295 . 74 ASP HA H 5.66 . 1 296 . 74 ASP CA C 52.44 . 1 297 . 74 ASP N N 125.7 . 1 298 . 75 PHE H H 8.37 . 1 299 . 75 PHE HA H 3.51 . 1 300 . 75 PHE CA C 61.24 . 1 301 . 75 PHE N N 118.5 . 1 302 . 76 GLU H H 7.95 . 1 303 . 76 GLU HA H 3.78 . 1 304 . 76 GLU CA C 58.81 . 1 305 . 76 GLU N N 116.5 . 1 306 . 77 GLU H H 8.48 . 1 307 . 77 GLU HA H 3.94 . 1 308 . 77 GLU CA C 58.92 . 1 309 . 77 GLU N N 119.7 . 1 310 . 78 PHE H H 8.59 . 1 311 . 78 PHE HA H 3.96 . 1 312 . 78 PHE CA C 54.94 . 1 313 . 78 PHE N N 121.7 . 1 314 . 79 LEU H H 8.18 . 1 315 . 79 LEU HA H 3.45 . 1 316 . 79 LEU CA C 58.38 . 1 317 . 79 LEU N N 119.4 . 1 318 . 80 VAL H H 7.31 . 1 319 . 80 VAL HA H 3.25 . 1 320 . 80 VAL CA C 53.51 . 1 321 . 80 VAL N N 117.8 . 1 322 . 81 MET H H 7.78 . 1 323 . 81 MET HA H 3.95 . 1 324 . 81 MET CA C 58.13 . 1 325 . 81 MET N N 119.0 . 1 326 . 82 MET H H 8.33 . 1 327 . 82 MET HA H 4.04 . 1 328 . 82 MET CA C 56.23 . 1 329 . 82 MET N N 119.8 . 1 330 . 83 VAL H H 8.27 . 1 331 . 83 VAL HA H 3.57 . 1 332 . 83 VAL CA C 67.44 . 1 333 . 83 VAL N N 120.8 . 1 334 . 84 ARG H H 7.67 . 1 335 . 84 ARG HA H 3.87 . 1 336 . 84 ARG CA C 59.69 . 1 337 . 84 ARG N N 119.2 . 1 338 . 85 GLN H H 7.64 . 1 339 . 85 GLN HA H 3.89 . 1 340 . 85 GLN CA C 57.43 . 1 341 . 85 GLN N N 116.9 . 1 342 . 86 MET H H 8.08 . 1 343 . 86 MET HA H 4.12 . 1 344 . 86 MET CA C 58.05 . 1 345 . 86 MET N N 118.1 . 1 346 . 87 LYS H H 7.88 . 1 347 . 87 LYS HA H 4.11 . 1 348 . 87 LYS CA C 57.84 . 1 349 . 87 LYS N N 120.1 . 1 350 . 88 GLU H H 8.08 . 1 351 . 88 GLU HA H 4.24 . 1 352 . 88 GLU CA C 56.75 . 1 353 . 88 GLU N N 121.5 . 1 354 . 89 ASP H H 8.30 . 1 355 . 89 ASP HA H 4.62 . 1 356 . 89 ASP CA C 54.31 . 1 357 . 89 ASP N N 122.1 . 1 358 . 90 ALA H H 7.88 . 1 359 . 90 ALA HA H 4.11 . 1 360 . 90 ALA N N 129.9 . 1 stop_ save_ save_assigned_chemical_shifts_two _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name apoNTnC _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 . 1 ALA HA H 5.01 . 1 2 . 1 ALA HB H 1.38 . 1 3 . 1 ALA CA C 68.71 . 1 4 . 1 ALA CB C 36.13 . 1 5 . 2 SER H H 8.89 . 1 6 . 2 SER HA H 4.53 . 1 7 . 2 SER HB2 H 3.96 . 1 8 . 2 SER HB3 H 4.09 . 1 9 . 2 SER CA C 75.18 . 1 10 . 2 SER CB C 69.01 . 1 11 . 2 SER N N 123.37 . 1 12 . 3 MET H H 9.07 . 1 13 . 3 MET HA H 4.62 . 1 14 . 3 MET HB2 H 2.15 . 1 15 . 3 MET HB3 H 2.21 . 1 16 . 3 MET HG2 H 2.65 . 1 17 . 3 MET HG3 H 2.73 . 1 18 . 3 MET CA C 67.54 . 1 19 . 3 MET CB C 43.13 . 1 20 . 3 MET N N 123.72 . 1 21 . 4 THR H H 8.26 . 1 22 . 4 THR HA H 4.13 . 1 23 . 4 THR HB H 4.29 . 1 24 . 4 THR HG2 H 1.26 . 1 25 . 4 THR CA C 67.16 . 1 26 . 4 THR CB C 51.11 . 1 27 . 4 THR N N 115.15 . 1 28 . 5 ASP H H 8.46 . 1 29 . 5 ASP HA H 4.49 . 1 30 . 5 ASP HB2 H 2.75 . 1 31 . 5 ASP HB3 H 2.74 . 1 32 . 5 ASP CA C 67.98 . 1 33 . 5 ASP CB C 50.92 . 1 34 . 5 ASP N N 120.84 . 1 35 . 6 GLN H H 8.52 . 1 36 . 6 GLN HA H 3.97 . 1 37 . 6 GLN HB3 H 2.23 . 1 38 . 6 GLN HG3 H 2.36 . 1 39 . 6 GLN HE21 H 7.30 . 1 40 . 6 GLN HE22 H 6.94 . 1 41 . 6 GLN HB2 H 2.13 . 1 42 . 6 GLN CA C 69.43 . 1 43 . 6 GLN CB C 38.49 . 1 44 . 6 GLN N N 120.83 . 1 45 . 6 GLN NE2 N 111.19 . 1 46 . 7 GLN H H 8.05 . 1 47 . 7 GLN HA H 4.15 . 1 48 . 7 GLN HB2 H 2.13 . 1 49 . 7 GLN HB3 H 2.22 . 1 50 . 7 GLN HG3 H 2.54 . 1 51 . 7 GLN HE21 H 7.33 . 1 52 . 7 GLN HE22 H 7.34 . 1 53 . 7 GLN HG2 H 2.39 . 1 54 . 7 GLN CA C 69.63 . 1 55 . 7 GLN CB C 38.53 . 1 56 . 7 GLN N N 122.92 . 1 57 . 7 GLN NE2 N 112.87 . 1 58 . 8 ALA H H 8.00 . 1 59 . 8 ALA HA H 4.06 . 1 60 . 8 ALA HB H 1.51 . 1 61 . 8 ALA CA C 72.76 . 1 62 . 8 ALA CB C 28.81 . 1 63 . 8 ALA N N 122.94 . 1 64 . 9 GLU H H 8.19 . 1 65 . 9 GLU HA H 4.07 . 1 66 . 9 GLU HB2 H 2.06 . 1 67 . 9 GLU HB3 H 2.06 . 1 68 . 9 GLU HG2 H 2.19 . 1 69 . 9 GLU HG3 H 2.40 . 1 70 . 9 GLU CA C 69.91 . 1 71 . 9 GLU CB C 40.62 . 1 72 . 9 GLU N N 119.56 . 1 73 . 10 ALA H H 8.17 . 1 74 . 10 ALA HA H 4.13 . 1 75 . 10 ALA HB H 1.42 . 1 76 . 10 ALA CA C 66.70 . 1 77 . 10 ALA CB C 29.18 . 1 78 . 10 ALA N N 124.14 . 1 79 . 11 ARG H H 7.95 . 1 80 . 11 ARG HA H 3.88 . 1 81 . 11 ARG HB3 H 1.84 . 1 82 . 11 ARG HG3 H 1.44 . 1 83 . 11 ARG HD2 H 3.00 . 1 84 . 11 ARG HD3 H 3.11 . 1 85 . 11 ARG HE H 8.57 . 1 86 . 11 ARG HB2 H 1.80 . 1 87 . 11 ARG CA C 70.42 . 1 88 . 11 ARG CB C 41.16 . 1 89 . 11 ARG N N 115.46 . 1 90 . 11 ARG NE N 113.90 . 1 91 . 12 ALA H H 7.67 . 1 92 . 12 ALA HA H 4.28 . 1 93 . 12 ALA HB H 1.47 . 1 94 . 12 ALA CA C 78.10 . 1 95 . 12 ALA CB C 29.42 . 1 96 . 12 ALA N N 119.20 . 1 97 . 13 PHE H H 7.78 . 1 98 . 13 PHE HA H 4.31 . 1 99 . 13 PHE HB2 H 3.17 . 1 100 . 13 PHE HB3 H 3.29 . 1 101 . 13 PHE HD1 H 7.22 . 3 102 . 13 PHE HD2 H 7.24 . 3 103 . 13 PHE HE1 H 7.36 . 1 104 . 13 PHE HE2 H 7.36 . 1 105 . 13 PHE CA C 70.65 . 1 106 . 13 PHE CB C 51.86 . 1 107 . 13 PHE N N 119.19 . 1 108 . 14 LEU H H 7.46 . 1 109 . 14 LEU HA H 4.34 . 1 110 . 14 LEU HB2 H 1.79 . 1 111 . 14 LEU HB3 H 1.99 . 1 112 . 14 LEU HG H 1.46 . 1 113 . 14 LEU HD1 H 0.93 . 1 114 . 14 LEU HD2 H 0.76 . 1 115 . 14 LEU CA C 64.34 . 1 116 . 14 LEU CB C 55.77 . 1 117 . 14 LEU N N 118.80 . 1 118 . 15 SER H H 8.13 . 1 119 . 15 SER HA H 4.46 . 1 120 . 15 SER HB2 H 4.00 . 1 121 . 15 SER HB3 H 4.36 . 1 122 . 15 SER CA C 76.07 . 1 123 . 15 SER CB C 67.54 . 1 124 . 15 SER N N 116.72 . 1 125 . 16 GLU H H 9.14 . 1 126 . 16 GLU HA H 3.91 . 1 127 . 16 GLU HB2 H 2.03 . 1 128 . 16 GLU HB3 H 2.03 . 1 129 . 16 GLU HG2 H 2.31 . 1 130 . 16 GLU HG3 H 2.42 . 1 131 . 16 GLU CA C 70.99 . 1 132 . 16 GLU CB C 40.31 . 1 133 . 16 GLU N N 121.68 . 1 134 . 17 GLU H H 9.02 . 1 135 . 17 GLU HA H 4.05 . 1 136 . 17 GLU HB2 H 2.04 . 1 137 . 17 GLU HB3 H 1.93 . 1 138 . 17 GLU HG2 H 2.29 . 1 139 . 17 GLU HG3 H 2.40 . 1 140 . 17 GLU CA C 71.12 . 1 141 . 17 GLU CB C 41.38 . 1 142 . 17 GLU N N 120.03 . 1 143 . 18 MET H H 8.01 . 1 144 . 18 MET HA H 4.05 . 1 145 . 18 MET HB2 H 1.60 . 1 146 . 18 MET HB3 H 1.94 . 1 147 . 18 MET HG2 H 2.09 . 1 148 . 18 MET HG3 H 2.29 . 1 149 . 18 MET HE H 1.57 . 1 150 . 18 MET CA C 69.64 . 1 151 . 18 MET CB C 43.64 . 1 152 . 18 MET N N 122.50 . 1 153 . 19 ILE H H 8.22 . 1 154 . 19 ILE HA H 3.35 . 1 155 . 19 ILE HB H 1.82 . 1 156 . 19 ILE HG13 H 0.89 . 1 157 . 19 ILE HD1 H 0.77 . 1 158 . 19 ILE HG2 H 1.16 . 1 159 . 19 ILE CA C 77.93 . 1 160 . 19 ILE CB C 48.90 . 1 161 . 19 ILE N N 119.61 . 1 162 . 20 ALA H H 7.86 . 1 163 . 20 ALA HA H 4.21 . 1 164 . 20 ALA HB H 1.50 . 1 165 . 20 ALA CA C 71.14 . 1 166 . 20 ALA CB C 28.75 . 1 167 . 20 ALA N N 120.44 . 1 168 . 21 GLU H H 7.99 . 1 169 . 21 GLU HA H 4.18 . 1 170 . 21 GLU HB2 H 2.25 . 1 171 . 21 GLU HB3 H 2.30 . 1 172 . 21 GLU HG2 H 2.49 . 1 173 . 21 GLU HG3 H 2.52 . 1 174 . 21 GLU CA C 70.59 . 1 175 . 21 GLU CB C 40.46 . 1 176 . 21 GLU N N 122.45 . 1 177 . 22 PHE H H 9.22 . 1 178 . 22 PHE HA H 4.93 . 1 179 . 22 PHE HB2 H 3.42 . 1 180 . 22 PHE HB3 H 3.96 . 1 181 . 22 PHE HD1 H 7.14 . 1 182 . 22 PHE HD2 H 7.14 . 1 183 . 22 PHE HE1 H 7.33 . 1 184 . 22 PHE HE2 H 7.33 . 1 185 . 22 PHE CA C 68.95 . 1 186 . 22 PHE CB C 47.75 . 1 187 . 22 PHE N N 122.08 . 1 188 . 23 LYS H H 9.30 . 1 189 . 23 LYS HA H 3.74 . 1 190 . 23 LYS HB2 H 1.88 . 1 191 . 23 LYS HB3 H 1.88 . 1 192 . 23 LYS HG2 H 1.52 . 1 193 . 23 LYS HG3 H 1.52 . 1 194 . 23 LYS HD2 H 1.69 . 1 195 . 23 LYS HD3 H 1.69 . 1 196 . 23 LYS HE2 H 2.76 . 1 197 . 23 LYS HE3 H 2.76 . 1 198 . 23 LYS CA C 69.65 . 1 199 . 23 LYS CB C 43.35 . 1 200 . 23 LYS N N 121.67 . 1 201 . 24 ALA H H 7.93 . 1 202 . 24 ALA HA H 4.18 . 1 203 . 24 ALA HB H 1.53 . 1 204 . 24 ALA CA C 65.85 . 1 205 . 24 ALA CB C 28.73 . 1 206 . 24 ALA N N 120.02 . 1 207 . 25 ALA H H 7.38 . 1 208 . 25 ALA HA H 4.34 . 1 209 . 25 ALA HB H 1.73 . 1 210 . 25 ALA CA C 65.87 . 1 211 . 25 ALA CB C 30.14 . 1 212 . 25 ALA N N 119.64 . 1 213 . 26 PHE H H 8.43 . 1 214 . 26 PHE HA H 3.68 . 1 215 . 26 PHE HB2 H 2.75 . 1 216 . 26 PHE HB3 H 3.23 . 1 217 . 26 PHE HD1 H 6.60 . 1 218 . 26 PHE HD2 H 6.60 . 1 219 . 26 PHE HE1 H 6.93 . 1 220 . 26 PHE HE2 H 6.93 . 1 221 . 26 PHE HZ H 7.47 . 1 222 . 26 PHE CA C 73.43 . 1 223 . 26 PHE CB C 52.04 . 1 224 . 26 PHE N N 119.33 . 1 225 . 27 ASP H H 9.12 . 1 226 . 27 ASP HA H 4.33 . 1 227 . 27 ASP HB2 H 2.63 . 1 228 . 27 ASP HB3 H 2.74 . 1 229 . 27 ASP CA C 67.89 . 1 230 . 27 ASP CB C 51.14 . 1 231 . 27 ASP N N 115.91 . 1 232 . 28 MET H H 7.50 . 1 233 . 28 MET HA H 3.94 . 1 234 . 28 MET HB2 H 1.70 . 1 235 . 28 MET HB3 H 2.14 . 1 236 . 28 MET HG2 H 2.33 . 1 237 . 28 MET HG3 H 2.74 . 1 238 . 28 MET HE H 2.15 . 1 239 . 28 MET CA C 69.11 . 1 240 . 28 MET CB C 42.84 . 1 241 . 28 MET N N 118.39 . 1 242 . 29 PHE H H 7.73 . 1 243 . 29 PHE HA H 4.35 . 1 244 . 29 PHE HB2 H 2.45 . 1 245 . 29 PHE HB3 H 3.22 . 1 246 . 29 PHE HD1 H 7.29 . 1 247 . 29 PHE HD2 H 7.29 . 1 248 . 29 PHE HE1 H 7.18 . 1 249 . 29 PHE HE2 H 7.18 . 1 250 . 29 PHE CA C 69.00 . 1 251 . 29 PHE CB C 50.13 . 1 252 . 29 PHE N N 116.35 . 1 253 . 30 ASP H H 7.27 . 1 254 . 30 ASP HA H 4.93 . 1 255 . 30 ASP HB2 H 2.25 . 1 256 . 30 ASP HB3 H 2.86 . 1 257 . 30 ASP CA C 63.29 . 1 258 . 30 ASP CB C 50.99 . 1 259 . 30 ASP N N 122.89 . 1 260 . 31 ALA H H 8.31 . 1 261 . 31 ALA HA H 4.08 . 1 262 . 31 ALA HB H 1.43 . 1 263 . 31 ALA CA C 65.77 . 1 264 . 31 ALA CB C 30.12 . 1 265 . 31 ALA N N 127.42 . 1 266 . 32 ASP H H 8.44 . 1 267 . 32 ASP HA H 4.72 . 1 268 . 32 ASP HB2 H 2.69 . 1 269 . 32 ASP HB3 H 2.84 . 1 270 . 32 ASP CA C 64.69 . 1 271 . 32 ASP CB C 52.23 . 1 272 . 32 ASP N N 114.38 . 1 273 . 33 GLY H H 8.15 . 1 274 . 33 GLY HA2 H 3.79 . 1 275 . 33 GLY HA3 H 3.99 . 1 276 . 33 GLY CA C 57.82 . 1 277 . 33 GLY N N 111.80 . 1 278 . 34 GLY H H 8.86 . 1 279 . 34 GLY HA2 H 3.93 . 1 280 . 34 GLY HA3 H 4.16 . 1 281 . 34 GLY CA C 56.81 . 1 282 . 34 GLY N N 110.70 . 1 283 . 35 GLY H H 10.46 . 1 284 . 35 GLY HA2 H 3.79 . 1 285 . 35 GLY HA3 H 4.37 . 1 286 . 35 GLY CA C 56.52 . 1 287 . 35 GLY N N 113.44 . 1 288 . 36 ASP H H 7.88 . 1 289 . 36 ASP HA H 5.60 . 1 290 . 36 ASP HB2 H 2.48 . 1 291 . 36 ASP HB3 H 2.54 . 1 292 . 36 ASP CA C 63.45 . 1 293 . 36 ASP CB C 54.62 . 1 294 . 36 ASP N N 117.99 . 1 295 . 37 ILE H H 8.35 . 1 296 . 37 ILE HA H 4.64 . 1 297 . 37 ILE HB H 1.46 . 1 298 . 37 ILE HG12 H 0.64 . 1 299 . 37 ILE HG13 H 0.95 . 1 300 . 37 ILE HD1 H 0.16 . 1 301 . 37 ILE HG2 H -0.23 . 1 302 . 37 ILE CA C 69.92 . 1 303 . 37 ILE CB C 53.00 . 1 304 . 37 ILE N N 110.64 . 1 305 . 38 SER H H 8.73 . 1 306 . 38 SER HA H 4.86 . 1 307 . 38 SER HB2 H 3.74 . 1 308 . 38 SER HB3 H 4.14 . 1 309 . 38 SER CA C 74.86 . 1 310 . 38 SER CB C 68.18 . 1 311 . 38 SER N N 114.28 . 1 312 . 39 THR H H 8.70 . 1 313 . 39 THR HA H 3.74 . 1 314 . 39 THR HB H 4.29 . 1 315 . 39 THR HG2 H 1.03 . 1 316 . 39 THR CA C 76.09 . 1 317 . 39 THR CB C 78.39 . 1 318 . 39 THR N N 119.19 . 1 319 . 40 LYS H H 8.21 . 1 320 . 40 LYS HA H 4.14 . 1 321 . 40 LYS HB2 H 1.82 . 1 322 . 40 LYS HB3 H 1.88 . 1 323 . 40 LYS HG2 H 1.50 . 1 324 . 40 LYS HG3 H 1.51 . 1 325 . 40 LYS HD2 H 1.75 . 1 326 . 40 LYS HD3 H 1.75 . 1 327 . 40 LYS HE2 H 3.01 . 1 328 . 40 LYS HE3 H 3.01 . 1 329 . 40 LYS CA C 69.39 . 1 330 . 40 LYS CB C 43.26 . 1 331 . 40 LYS N N 120.44 . 1 332 . 41 GLU H H 7.59 . 1 333 . 41 GLU HA H 4.73 . 1 334 . 41 GLU HB2 H 1.51 . 1 335 . 41 GLU HB3 H 1.84 . 1 336 . 41 GLU HG2 H 2.11 . 1 337 . 41 GLU HG3 H 2.33 . 1 338 . 41 GLU CA C 65.64 . 1 339 . 41 GLU CB C 40.06 . 1 340 . 41 GLU N N 116.31 . 1 341 . 42 LEU H H 7.15 . 1 342 . 42 LEU HA H 3.77 . 1 343 . 42 LEU HB2 H 1.43 . 1 344 . 42 LEU HB3 H 1.83 . 1 345 . 42 LEU HG H 1.61 . 1 346 . 42 LEU HD1 H 1.09 . 1 347 . 42 LEU HD2 H 0.92 . 1 348 . 42 LEU CA C 69.37 . 1 349 . 42 LEU CB C 53.48 . 1 350 . 42 LEU N N 120.45 . 1 351 . 43 GLY H H 8.99 . 1 352 . 43 GLY HA2 H 3.47 . 1 353 . 43 GLY HA3 H 3.76 . 1 354 . 43 GLY CA C 58.98 . 1 355 . 43 GLY N N 106.51 . 1 356 . 44 THR H H 7.58 . 1 357 . 44 THR HA H 3.73 . 1 358 . 44 THR HB H 4.00 . 1 359 . 44 THR HG2 H 1.21 . 1 360 . 44 THR CA C 77.08 . 1 361 . 44 THR CB C 79.38 . 1 362 . 44 THR N N 118.72 . 1 363 . 45 VAL H H 7.73 . 1 364 . 45 VAL HA H 3.59 . 1 365 . 45 VAL HB H 1.73 . 1 366 . 45 VAL HG1 H 0.79 . 1 367 . 45 VAL HG2 H 0.59 . 1 368 . 45 VAL CA C 77.12 . 1 369 . 45 VAL CB C 42.54 . 1 370 . 45 VAL N N 122.48 . 1 371 . 46 MET H H 8.49 . 1 372 . 46 MET HA H 3.80 . 1 373 . 46 MET HB3 H 2.02 . 1 374 . 46 MET HG2 H 1.85 . 1 375 . 46 MET HE H 1.79 . 1 376 . 46 MET CA C 72.49 . 1 377 . 46 MET CB C 43.85 . 1 378 . 46 MET N N 118.01 . 1 379 . 47 ARG H H 8.30 . 1 380 . 47 ARG HA H 4.66 . 1 381 . 47 ARG HB2 H 1.83 . 1 382 . 47 ARG HB3 H 1.93 . 1 383 . 47 ARG HG2 H 1.79 . 1 384 . 47 ARG HG3 H 1.90 . 1 385 . 47 ARG HD2 H 3.11 . 1 386 . 47 ARG HD3 H 3.26 . 1 387 . 47 ARG HE H 7.32 . 1 388 . 47 ARG CA C 66.14 . 1 389 . 47 ARG CB C 39.96 . 1 390 . 47 ARG N N 118.78 . 1 391 . 47 ARG NE N 113.50 . 1 392 . 48 MET H H 7.99 . 1 393 . 48 MET HA H 4.23 . 1 394 . 48 MET HB2 H 2.39 . 1 395 . 48 MET HB3 H 2.50 . 1 396 . 48 MET HG2 H 2.72 . 1 397 . 48 MET HG3 H 2.86 . 1 398 . 48 MET HE H 1.88 . 1 399 . 48 MET CA C 70.02 . 1 400 . 48 MET CB C 44.02 . 1 401 . 48 MET N N 122.43 . 1 402 . 49 LEU H H 7.35 . 1 403 . 49 LEU HA H 4.59 . 1 404 . 49 LEU HB2 H 1.73 . 1 405 . 49 LEU HB3 H 1.72 . 1 406 . 49 LEU HG H 1.88 . 1 407 . 49 LEU HD1 H 1.15 . 1 408 . 49 LEU HD2 H 0.90 . 1 409 . 49 LEU CA C 64.75 . 1 410 . 49 LEU CB C 53.29 . 1 411 . 49 LEU N N 117.97 . 1 412 . 50 GLY H H 7.78 . 1 413 . 50 GLY HA2 H 3.82 . 1 414 . 50 GLY HA3 H 4.28 . 1 415 . 50 GLY CA C 56.94 . 1 416 . 50 GLY N N 107.27 . 1 417 . 51 GLN H H 8.09 . 1 418 . 51 GLN HA H 4.46 . 1 419 . 51 GLN HB2 H 1.52 . 1 420 . 51 GLN HB3 H 1.56 . 1 421 . 51 GLN HG2 H 2.00 . 1 422 . 51 GLN HG3 H 2.16 . 1 423 . 51 GLN HE21 H 7.77 . 1 424 . 51 GLN HE22 H 7.06 . 1 425 . 51 GLN CA C 64.45 . 1 426 . 51 GLN CB C 40.98 . 1 427 . 51 GLN N N 118.70 . 1 428 . 51 GLN NE2 N 113.89 . 1 429 . 52 ASN H H 8.86 . 1 430 . 52 ASN HA H 5.20 . 1 431 . 52 ASN HB2 H 2.51 . 1 432 . 52 ASN HB3 H 2.72 . 1 433 . 52 ASN HD21 H 7.69 . 1 434 . 52 ASN HD22 H 6.84 . 1 435 . 52 ASN CA C 99.00 . 1 436 . 52 ASN CB C 99.00 . 1 437 . 52 ASN N N 117.53 . 1 438 . 52 ASN ND2 N 113.70 . 1 439 . 53 PRO HA H 4.75 . 1 440 . 53 PRO HB2 H 2.13 . 1 441 . 53 PRO HB3 H 2.13 . 1 442 . 53 PRO HG2 H 1.93 . 1 443 . 53 PRO HG3 H 1.96 . 1 444 . 53 PRO HD2 H 3.26 . 1 445 . 53 PRO HD3 H 3.61 . 1 446 . 53 PRO CA C 73.44 . 1 447 . 53 PRO CB C 42.43 . 1 448 . 54 THR H H 9.00 . 1 449 . 54 THR HA H 4.34 . 1 450 . 54 THR HB H 4.75 . 1 451 . 54 THR HG2 H 1.36 . 1 452 . 54 THR CA C 82.16 . 1 453 . 54 THR CB C 71.85 . 1 454 . 54 THR N N 114.69 . 1 455 . 55 LYS H H 8.99 . 1 456 . 55 LYS HA H 3.94 . 1 457 . 55 LYS HB2 H 1.75 . 1 458 . 55 LYS HB3 H 1.73 . 1 459 . 55 LYS HG2 H 1.50 . 1 460 . 55 LYS HG3 H 1.36 . 1 461 . 55 LYS CA C 71.10 . 1 462 . 55 LYS CB C 43.29 . 1 463 . 55 LYS N N 122.50 . 1 464 . 56 GLU H H 8.78 . 1 465 . 56 GLU HA H 4.05 . 1 466 . 56 GLU HB2 H 2.03 . 1 467 . 56 GLU HB3 H 2.04 . 1 468 . 56 GLU HG2 H 2.30 . 1 469 . 56 GLU HG3 H 2.49 . 1 470 . 56 GLU CA C 71.52 . 1 471 . 56 GLU CB C 39.78 . 1 472 . 56 GLU N N 117.55 . 1 473 . 57 GLU H H 7.95 . 1 474 . 57 GLU HA H 3.99 . 1 475 . 57 GLU HB3 H 2.34 . 1 476 . 57 GLU HG3 H 1.83 . 1 477 . 57 GLU CA C 69.90 . 1 478 . 57 GLU CB C 40.87 . 1 479 . 57 GLU N N 121.67 . 1 480 . 58 LEU H H 8.68 . 1 481 . 58 LEU HA H 4.03 . 1 482 . 58 LEU HB2 H 1.80 . 1 483 . 58 LEU HB3 H 1.76 . 1 484 . 58 LEU HG H 1.63 . 1 485 . 58 LEU HD1 H 0.83 . 1 486 . 58 LEU HD2 H 0.82 . 1 487 . 58 LEU CA C 68.79 . 1 488 . 58 LEU CB C 52.61 . 1 489 . 58 LEU N N 122.09 . 1 490 . 59 ASP H H 8.75 . 1 491 . 59 ASP HA H 4.33 . 1 492 . 59 ASP HB2 H 2.61 . 1 493 . 59 ASP HB3 H 2.74 . 1 494 . 59 ASP CA C 68.47 . 1 495 . 59 ASP CB C 50.67 . 1 496 . 59 ASP N N 119.62 . 1 497 . 60 ALA H H 7.53 . 1 498 . 60 ALA HA H 4.21 . 1 499 . 60 ALA HB H 1.49 . 1 500 . 60 ALA CA C 66.03 . 1 501 . 60 ALA CB C 41.60 . 1 502 . 60 ALA N N 122.06 . 1 503 . 61 ILE H H 8.03 . 1 504 . 61 ILE HA H 3.75 . 1 505 . 61 ILE HB H 2.03 . 1 506 . 61 ILE HG13 H 1.13 . 1 507 . 61 ILE HD1 H 0.75 . 1 508 . 61 ILE HG2 H 0.88 . 1 509 . 61 ILE CA C 76.45 . 1 510 . 61 ILE CB C 49.73 . 1 511 . 61 ILE N N 122.15 . 1 512 . 62 ILE H H 8.56 . 1 513 . 62 ILE HA H 3.43 . 1 514 . 62 ILE HB H 1.88 . 1 515 . 62 ILE HG12 H 1.49 . 1 516 . 62 ILE HG13 H 1.80 . 1 517 . 62 ILE HD1 H 0.90 . 1 518 . 62 ILE HG2 H 0.91 . 1 519 . 62 ILE CA C 77.22 . 1 520 . 62 ILE CB C 48.96 . 1 521 . 62 ILE N N 120.83 . 1 522 . 63 GLU H H 7.81 . 1 523 . 63 GLU HA H 3.99 . 1 524 . 63 GLU HB3 H 2.09 . 1 525 . 63 GLU HG2 H 2.38 . 1 526 . 63 GLU CA C 69.89 . 1 527 . 63 GLU CB C 40.66 . 1 528 . 63 GLU N N 117.97 . 1 529 . 64 GLU H H 7.54 . 1 530 . 64 GLU HA H 4.11 . 1 531 . 64 GLU HB2 H 2.12 . 1 532 . 64 GLU HB3 H 2.14 . 1 533 . 64 GLU HG2 H 2.38 . 1 534 . 64 GLU HG3 H 2.38 . 1 535 . 64 GLU CA C 69.64 . 1 536 . 64 GLU CB C 41.20 . 1 537 . 64 GLU N N 117.55 . 1 538 . 65 VAL H H 8.29 . 1 539 . 65 VAL HA H 4.29 . 1 540 . 65 VAL HB H 2.29 . 1 541 . 65 VAL HG1 H 0.99 . 1 542 . 65 VAL HG2 H 0.98 . 1 543 . 65 VAL CA C 73.95 . 1 544 . 65 VAL CB C 43.68 . 1 545 . 65 VAL N N 113.81 . 1 546 . 66 ASP H H 8.37 . 1 547 . 66 ASP HA H 5.26 . 1 548 . 66 ASP HB2 H 2.28 . 1 549 . 66 ASP HB3 H 2.91 . 1 550 . 66 ASP CA C 63.82 . 1 551 . 66 ASP CB C 51.38 . 1 552 . 66 ASP N N 122.42 . 1 553 . 67 GLU H H 8.19 . 1 554 . 67 GLU HA H 4.12 . 1 555 . 67 GLU HB2 H 2.13 . 1 556 . 67 GLU HB3 H 2.13 . 1 557 . 67 GLU HG2 H 2.35 . 1 558 . 67 GLU HG3 H 2.36 . 1 559 . 67 GLU CA C 70.25 . 1 560 . 67 GLU CB C 40.99 . 1 561 . 67 GLU N N 123.69 . 1 562 . 68 ASP H H 8.64 . 1 563 . 68 ASP HA H 4.64 . 1 564 . 68 ASP HB2 H 2.72 . 1 565 . 68 ASP HB3 H 2.85 . 1 566 . 68 ASP CA C 64.57 . 1 567 . 68 ASP CB C 51.39 . 1 568 . 68 ASP N N 115.91 . 1 569 . 69 GLY H H 7.95 . 1 570 . 69 GLY HA2 H 3.84 . 1 571 . 69 GLY HA3 H 3.92 . 1 572 . 69 GLY CA C 58.00 . 1 573 . 69 GLY N N 110.56 . 1 574 . 70 SER H H 9.19 . 1 575 . 70 SER HA H 4.24 . 1 576 . 70 SER HB2 H 3.95 . 1 577 . 70 SER HB3 H 4.05 . 1 578 . 70 SER CA C 74.88 . 1 579 . 70 SER CB C 71.51 . 1 580 . 70 SER N N 119.60 . 1 581 . 71 GLY H H 10.54 . 1 582 . 71 GLY HA2 H 3.86 . 1 583 . 71 GLY HA3 H 4.17 . 1 584 . 71 GLY CA C 56.84 . 1 585 . 71 GLY N N 114.67 . 1 586 . 72 THR H H 7.96 . 1 587 . 72 THR HA H 5.43 . 1 588 . 72 THR HB H 4.03 . 1 589 . 72 THR HG2 H 1.00 . 1 590 . 72 THR CA C 70.42 . 1 591 . 72 THR N N 112.22 . 1 592 . 73 ILE H H 8.89 . 1 593 . 73 ILE HA H 4.80 . 1 594 . 73 ILE HB H 1.94 . 1 595 . 73 ILE HG12 H 1.80 . 1 596 . 73 ILE HG13 H 1.78 . 1 597 . 73 ILE HD1 H 0.96 . 1 598 . 73 ILE HG2 H 0.97 . 1 599 . 73 ILE CA C 70.32 . 1 600 . 73 ILE CB C 53.20 . 1 601 . 73 ILE N N 117.13 . 1 602 . 74 ASP H H 8.87 . 1 603 . 74 ASP HA H 5.65 . 1 604 . 74 ASP HB2 H 2.76 . 1 605 . 74 ASP HB3 H 3.27 . 1 606 . 74 ASP CA C 63.44 . 1 607 . 74 ASP CB C 53.42 . 1 608 . 74 ASP N N 125.76 . 1 609 . 75 PHE H H 8.37 . 1 610 . 75 PHE HA H 3.51 . 1 611 . 75 PHE HB2 H 2.47 . 1 612 . 75 PHE HB3 H 2.68 . 1 613 . 75 PHE HD1 H 6.38 . 3 614 . 75 PHE HD2 H 6.34 . 3 615 . 75 PHE HE1 H 7.04 . 1 616 . 75 PHE HE2 H 7.04 . 1 617 . 75 PHE HZ H 7.50 . 1 618 . 75 PHE CA C 72.23 . 1 619 . 75 PHE CB C 50.15 . 1 620 . 75 PHE N N 118.44 . 1 621 . 76 GLU H H 7.96 . 1 622 . 76 GLU HA H 3.78 . 1 623 . 76 GLU HB2 H 2.02 . 1 624 . 76 GLU HB3 H 2.04 . 1 625 . 76 GLU HG2 H 2.36 . 1 626 . 76 GLU HG3 H 2.38 . 1 627 . 76 GLU CA C 69.81 . 1 628 . 76 GLU CB C 39.48 . 1 629 . 76 GLU N N 116.36 . 1 630 . 77 GLU H H 8.49 . 1 631 . 77 GLU HA H 3.94 . 1 632 . 77 GLU HB2 H 2.41 . 1 633 . 77 GLU HB3 H 2.48 . 1 634 . 77 GLU HG2 H 2.62 . 1 635 . 77 GLU HG3 H 2.68 . 1 636 . 77 GLU CA C 69.92 . 1 637 . 77 GLU CB C 41.05 . 1 638 . 77 GLU N N 119.62 . 1 639 . 78 PHE H H 8.60 . 1 640 . 78 PHE HA H 3.96 . 1 641 . 78 PHE HB2 H 3.09 . 1 642 . 78 PHE HB3 H 3.32 . 1 643 . 78 PHE HD1 H 6.94 . 3 644 . 78 PHE HD2 H 6.93 . 3 645 . 78 PHE HE1 H 7.02 . 3 646 . 78 PHE HE2 H 7.03 . 3 647 . 78 PHE CA C 65.94 . 1 648 . 78 PHE CB C 50.31 . 1 649 . 78 PHE N N 121.68 . 1 650 . 79 LEU H H 8.18 . 1 651 . 79 LEU HA H 3.46 . 1 652 . 79 LEU HB2 H 1.84 . 1 653 . 79 LEU HB3 H 2.01 . 1 654 . 79 LEU HG H 1.16 . 1 655 . 79 LEU HD1 H 0.65 . 1 656 . 79 LEU HD2 H 0.86 . 1 657 . 79 LEU CA C 69.38 . 1 658 . 79 LEU CB C 52.42 . 1 659 . 79 LEU N N 119.57 . 1 660 . 80 VAL H H 7.31 . 1 661 . 80 VAL HA H 3.24 . 1 662 . 80 VAL HB H 2.32 . 1 663 . 80 VAL HG1 H 1.04 . 1 664 . 80 VAL HG2 H 0.89 . 1 665 . 80 VAL CA C 64.51 . 1 666 . 80 VAL CB C 42.66 . 1 667 . 80 VAL N N 117.85 . 1 668 . 81 MET H H 7.78 . 1 669 . 81 MET HA H 3.96 . 1 670 . 81 MET HB2 H 1.98 . 1 671 . 81 MET HB3 H 1.88 . 1 672 . 81 MET HG2 H 2.32 . 1 673 . 81 MET HG3 H 2.49 . 1 674 . 81 MET HE H 1.97 . 1 675 . 81 MET CA C 69.13 . 1 676 . 81 MET CB C 41.56 . 1 677 . 81 MET N N 119.19 . 1 678 . 82 MET H H 8.35 . 1 679 . 82 MET HA H 4.04 . 1 680 . 82 MET HB2 H 1.81 . 1 681 . 82 MET HB3 H 1.87 . 1 682 . 82 MET HG2 H 2.50 . 1 683 . 82 MET HG3 H 2.62 . 1 684 . 82 MET CA C 67.23 . 1 685 . 82 MET CB C 41.11 . 1 686 . 82 MET N N 119.86 . 1 687 . 83 VAL H H 8.27 . 1 688 . 83 VAL HA H 3.57 . 1 689 . 83 VAL HB H 2.02 . 1 690 . 83 VAL HG1 H 1.24 . 1 691 . 83 VAL HG2 H 0.54 . 1 692 . 83 VAL CA C 78.44 . 1 693 . 83 VAL CB C 42.30 . 1 694 . 83 VAL N N 120.80 . 1 695 . 84 ARG H H 7.67 . 1 696 . 84 ARG HA H 3.87 . 1 697 . 84 ARG HB2 H 1.90 . 1 698 . 84 ARG HB3 H 1.89 . 1 699 . 84 ARG HG2 H 1.55 . 1 700 . 84 ARG HG3 H 1.80 . 1 701 . 84 ARG HD2 H 3.10 . 1 702 . 84 ARG HD3 H 3.10 . 1 703 . 84 ARG HE H 7.24 . 1 704 . 84 ARG CA C 70.69 . 1 705 . 84 ARG CB C 41.12 . 1 706 . 84 ARG N N 119.12 . 1 707 . 84 ARG NE N 112.20 . 1 708 . 85 GLN H H 7.66 . 1 709 . 85 GLN HA H 3.88 . 1 710 . 85 GLN HB2 H 2.14 . 1 711 . 85 GLN HB3 H 2.10 . 1 712 . 85 GLN HG2 H 2.36 . 1 713 . 85 GLN HG3 H 2.38 . 1 714 . 85 GLN HE21 H 7.59 . 1 715 . 85 GLN HE22 H 6.97 . 1 716 . 85 GLN CA C 68.43 . 1 717 . 85 GLN CB C 39.45 . 1 718 . 85 GLN N N 116.73 . 1 719 . 85 GLN NE2 N 112.31 . 1 720 . 86 MET H H 8.10 . 1 721 . 86 MET HA H 4.12 . 1 722 . 86 MET HB2 H 2.10 . 1 723 . 86 MET HB3 H 2.45 . 1 724 . 86 MET HG2 H 2.60 . 1 725 . 86 MET HG3 H 2.80 . 1 726 . 86 MET CA C 69.05 . 1 727 . 86 MET CB C 45.88 . 1 728 . 86 MET N N 117.98 . 1 729 . 87 LYS H H 7.89 . 1 730 . 87 LYS HA H 4.11 . 1 731 . 87 LYS HB2 H 1.62 . 1 732 . 87 LYS HB3 H 1.75 . 1 733 . 87 LYS HG2 H 1.19 . 1 734 . 87 LYS HG3 H 1.28 . 1 735 . 87 LYS CA C 68.84 . 1 736 . 87 LYS CB C 44.21 . 1 737 . 87 LYS N N 120.02 . 1 738 . 88 GLU H H 8.09 . 1 739 . 88 GLU HA H 4.24 . 1 740 . 88 GLU HB3 H 1.98 . 1 741 . 88 GLU HG3 H 2.34 . 1 742 . 88 GLU CA C 67.75 . 1 743 . 88 GLU CB C 41.12 . 1 744 . 88 GLU N N 121.42 . 1 745 . 89 ASP H H 8.30 . 1 746 . 89 ASP HA H 4.62 . 1 747 . 89 ASP HB2 H 2.61 . 1 748 . 89 ASP HB3 H 2.75 . 1 749 . 89 ASP CA C 65.31 . 1 750 . 89 ASP CB C 52.12 . 1 751 . 89 ASP N N 122.07 . 1 752 . 90 ALA H H 7.89 . 1 753 . 90 ALA HA H 4.11 . 1 754 . 90 ALA HB H 1.36 . 1 755 . 90 ALA CA C 99.00 . 1 756 . 90 ALA CB C 99.00 . 1 757 . 90 ALA N N 129.89 . 1 stop_ save_ ######################## # Coupling constants # ######################## save_assigned_coupling_constants_one _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Spectrometer_frequency_1H . _Mol_system_component_name apoNTnC _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 2 SER H 2 SER HA 4.9 . . . 2 3JHNHA 3 MET H 3 MET HA 5.8 . . . 3 3JHNHA 4 THR H 4 THR HA 4.9 . . . 4 3JHNHA 5 ASP H 5 ASP HA 5.0 . . . 5 3JHNHA 6 GLN H 6 GLN HA 4.6 . . . 6 3JHNHA 7 GLN H 7 GLN HA 4.8 . . . 7 3JHNHA 8 ALA H 8 ALA HA 5.1 . . . 8 3JHNHA 9 GLU H 9 GLU HA 5.0 . . . 9 3JHNHA 10 ALA H 10 ALA HA 4.1 . . . 10 3JHNHA 11 ARG H 11 ARG HA 4.8 . . . 11 3JHNHA 12 ALA H 12 ALA HA 5.6 . . . 12 3JHNHA 13 PHE H 13 PHE HA 6.1 . . . 13 3JHNHA 14 LEU H 14 LEU HA 6.9 . . . 14 3JHNHA 15 SER H 15 SER HA 6.0 . . . 15 3JHNHA 16 GLU H 16 GLU HA 3.0 . . . 16 3JHNHA 17 GLU H 17 GLU HA 4.3 . . . 17 3JHNHA 18 MET H 18 MET HA 4.5 . . . 18 3JHNHA 19 ILE H 19 ILE HA 3.5 . . . 19 3JHNHA 20 ALA H 20 ALA HA 4.3 . . . 20 3JHNHA 21 GLU H 21 GLU HA 8.0 . . . 21 3JHNHA 22 PHE H 22 PHE HA 4.2 . . . 22 3JHNHA 23 LYS H 23 LYS HA 3.5 . . . 23 3JHNHA 24 ALA H 24 ALA HA 4.0 . . . 24 3JHNHA 25 ALA H 25 ALA HA 6.0 . . . 25 3JHNHA 26 PHE H 26 PHE HA 3.0 . . . 26 3JHNHA 27 ASP H 27 ASP HA 2.8 . . . 27 3JHNHA 28 MET H 28 MET HA 5.7 . . . 28 3JHNHA 29 PHE H 29 PHE HA 10.1 . . . 29 3JHNHA 30 ASP H 30 ASP HA 8.7 . . . 30 3JHNHA 31 ALA H 31 ALA HA 4.5 . . . 31 3JHNHA 32 ASP H 32 ASP HA 9.1 . . . 32 3JHNHA 36 ASP H 36 ASP HA 7.7 . . . 33 3JHNHA 37 ILE H 37 ILE HA 9.4 . . . 34 3JHNHA 38 SER H 38 SER HA 4.7 . . . 35 3JHNHA 39 THR H 39 THR HA 4.4 . . . 36 3JHNHA 40 LYS H 40 LYS HA 5.0 . . . 37 3JHNHA 41 GLU H 41 GLU HA 8.9 . . . 38 3JHNHA 42 LEU H 42 LEU HA 3.3 . . . 39 3JHNHA 44 THR H 44 THR HA 3.5 . . . 40 3JHNHA 45 VAL H 45 VAL HA 4.8 . . . 41 3JHNHA 46 MET H 46 MET HA 3.8 . . . 42 3JHNHA 47 ARG H 47 ARG HA 4.4 . . . 43 3JHNHA 48 MET H 48 MET HA 3.8 . . . 44 3JHNHA 49 LEU H 49 LEU HA 8.0 . . . 45 3JHNHA 51 GLN H 51 GLN HA 9.3 . . . 46 3JHNHA 52 ASN H 52 ASN HA 10.4 . . . 47 3JHNHA 54 THR H 54 THR HA 6.6 . . . 48 3JHNHA 55 LYS H 55 LYS HA 2.8 . . . 49 3JHNHA 56 GLU H 56 GLU HA 3.9 . . . 50 3JHNHA 57 GLU H 57 GLU HA 5.2 . . . 51 3JHNHA 58 LEU H 58 LEU HA 4.7 . . . 52 3JHNHA 59 ASP H 59 ASP HA 3.0 . . . 53 3JHNHA 60 ALA H 60 ALA HA 5.1 . . . 54 3JHNHA 61 ILE H 61 ILE HA 3.9 . . . 55 3JHNHA 62 ILE H 62 ILE HA 3.9 . . . 56 3JHNHA 63 GLU H 63 GLU HA 4.2 . . . 57 3JHNHA 64 GLU H 64 GLU HA 6.1 . . . 58 3JHNHA 65 VAL H 65 VAL HA 7.3 . . . 59 3JHNHA 66 ASP H 66 ASP HA 6.9 . . . 60 3JHNHA 67 GLU H 67 GLU HA 3.8 . . . 61 3JHNHA 68 ASP H 68 ASP HA 7.7 . . . 62 3JHNHA 70 SER H 70 SER HA 6.6 . . . 63 3JHNHA 72 THR H 72 THR HA 8.7 . . . 64 3JHNHA 73 ILE H 73 ILE HA 6.8 . . . 65 3JHNHA 74 ASP H 74 ASP HA 8.5 . . . 66 3JHNHA 75 PHE H 75 PHE HA 2.5 . . . 67 3JHNHA 76 GLU H 76 GLU HA 5.9 . . . 68 3JHNHA 77 GLU H 77 GLU HA 5.3 . . . 69 3JHNHA 78 PHE H 78 PHE HA 3.5 . . . 70 3JHNHA 79 LEU H 79 LEU HA 1.9 . . . 71 3JHNHA 80 VAL H 80 VAL HA 3.6 . . . 72 3JHNHA 81 MET H 81 MET HA 3.7 . . . 73 3JHNHA 82 MET H 82 MET HA 4.7 . . . 74 3JHNHA 83 VAL H 83 VAL HA 4.6 . . . 75 3JHNHA 84 ARG H 84 ARG HA 3.4 . . . 76 3JHNHA 85 GLN H 85 GLN HA 5.6 . . . 77 3JHNHA 86 MET H 86 MET HA 5.3 . . . 78 3JHNHA 87 LYS H 87 LYS HA 5.4 . . . 79 3JHNHA 88 GLU H 88 GLU HA 6.5 . . . 80 3JHNHA 89 ASP H 89 ASP HA 7.1 . . . 81 3JHNHA 90 ALA H 90 ALA HA 6.7 . . . stop_ save_