data_6560 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The NMR solution structure of a redesigned apocytochrome b562:Rd-apocyt b562 ; _BMRB_accession_number 6560 _BMRB_flat_file_name bmr6560.str _Entry_type original _Submission_date 2005-03-18 _Accession_date 2005-03-31 _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 Feng H. . . 2 Takei J. . . 3 Lipsitz R. . . 4 Tjandra N. . . 5 Bai Y. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 591 "13C chemical shifts" 331 "15N chemical shifts" 110 "coupling constants" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-08-30 original author . stop_ _Original_release_date 2005-08-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Specific non-native hydrophobic interactions in a hidden folding intermediate: implications for protein folding ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14580191 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feng H. . . 2 Takei J. . . 3 Lipsitz R. . . 4 Tjandra N. . . 5 Bai Y. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 42 _Journal_issue 43 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 12461 _Page_last 12465 _Year 2003 _Details . loop_ _Keyword 'Berkeley Structural Genomics Center' BSGC 'four Helix protein' 'Protein Structure Initiative' PSI 'Structural Genomics' stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'redesigned apocytochrome B562' _Abbreviation_common 'redesigned apocytochrome B562' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'redesigned apocytochrome B562' $B562 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_B562 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'redesigned apocytochrome B562' _Abbreviation_common 'redesigned apocytochrome B562' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; ADLEDNWETLNDNLKVIEKA DNAAQVKDALTKMRAAALDA QKATPPKLEDKSPDSPEMKD FRHGFDILVGQIDDALKLAN EGKVKEAQAAAEQLKTTIRA YNQKYG ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 LEU 4 GLU 5 ASP 6 ASN 7 TRP 8 GLU 9 THR 10 LEU 11 ASN 12 ASP 13 ASN 14 LEU 15 LYS 16 VAL 17 ILE 18 GLU 19 LYS 20 ALA 21 ASP 22 ASN 23 ALA 24 ALA 25 GLN 26 VAL 27 LYS 28 ASP 29 ALA 30 LEU 31 THR 32 LYS 33 MET 34 ARG 35 ALA 36 ALA 37 ALA 38 LEU 39 ASP 40 ALA 41 GLN 42 LYS 43 ALA 44 THR 45 PRO 46 PRO 47 LYS 48 LEU 49 GLU 50 ASP 51 LYS 52 SER 53 PRO 54 ASP 55 SER 56 PRO 57 GLU 58 MET 59 LYS 60 ASP 61 PHE 62 ARG 63 HIS 64 GLY 65 PHE 66 ASP 67 ILE 68 LEU 69 VAL 70 GLY 71 GLN 72 ILE 73 ASP 74 ASP 75 ALA 76 LEU 77 LYS 78 LEU 79 ALA 80 ASN 81 GLU 82 GLY 83 LYS 84 VAL 85 LYS 86 GLU 87 ALA 88 GLN 89 ALA 90 ALA 91 ALA 92 GLU 93 GLN 94 LEU 95 LYS 96 THR 97 THR 98 ILE 99 ARG 100 ALA 101 TYR 102 ASN 103 GLN 104 LYS 105 TYR 106 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1M6T "Crystal Structure Of B562ril, A Redesigned Four Helix Bundle" 99.06 106 97.14 97.14 7.86e-64 PDB 1YYJ "The Nmr Solution Structure Of A Redesigned Apocytochrome B562:rd-Apocyt B562" 100.00 106 100.00 100.00 2.18e-68 PDB 1YYX "The Solution Structure Of A Redesigned Apocytochrome B562 (Rd-Apocyt B562) At 2.8m Urea" 100.00 106 100.00 100.00 2.18e-68 PDB 4EA3 "Structure Of The NOFQ OPIOID RECEPTOR IN COMPLEX WITH A PEPTIDE Mimetic" 99.06 434 97.14 97.14 5.24e-64 PDB 4EIY "Crystal Structure Of The Chimeric Protein Of A2aar-Bril In Complex With Zm241385 At 1.8a Resolution" 99.06 447 97.14 97.14 7.07e-64 PDB 4IAQ "Crystal Structure Of The Chimeric Protein Of 5-ht1b-bril In Complex With Dihydroergotamine (psi Community Target)" 99.06 403 97.14 97.14 1.10e-63 PDB 4IAR "Crystal Structure Of The Chimeric Protein Of 5-ht1b-bril In Complex With Ergotamine (psi Community Target)" 99.06 401 97.14 97.14 1.18e-63 PDB 4IB4 "Crystal Structure Of The Chimeric Protein Of 5-ht2b-bril In Complex With Ergotamine" 99.06 430 97.14 97.14 3.89e-61 PDB 4JKV "Structure Of The Human Smoothened 7tm Receptor In Complex With An Antitumor Agent" 99.06 475 97.14 97.14 1.31e-63 PDB 4L6R "Structure Of The Class B Human Glucagon G Protein Coupled Receptor" 99.06 425 97.14 97.14 2.94e-63 PDB 4N4W "Structure Of The Human Smoothened Receptor In Complex With Sant-1" 99.06 475 97.14 97.14 1.31e-63 PDB 4N6H "1.8 A Structure Of The Human Delta Opioid 7tm Receptor (psi Community Target)" 99.06 414 97.14 97.14 3.27e-64 PDB 4NC3 "Crystal Structure Of The 5-ht2b Receptor Solved Using Serial Femtosecond Crystallography In Lipidic Cubic Phase" 99.06 430 97.14 97.14 3.89e-61 PDB 4NTJ "Structure Of The Human P2y12 Receptor In Complex With An Antithrombotic Drug" 99.06 466 97.14 97.14 1.15e-62 PDB 4O9R "Human Smoothened Receptor Structure In Complex With Cyclopamine" 99.06 468 97.14 97.14 1.13e-63 PDB 4OR2 "Human Class C G Protein-coupled Metabotropic Glutamate Receptor 1 In Complex With A Negative Allosteric Modulator" 99.06 389 97.14 97.14 1.77e-64 PDB 4PXZ "Crystal Structure Of P2y12 Receptor In Complex With 2mesadp" 99.06 466 97.14 97.14 1.15e-62 PDB 4PY0 "Crystal Structure Of P2y12 Receptor In Complex With 2mesatp" 99.06 466 97.14 97.14 1.15e-62 PDB 4QIM "Structure Of The Human Smoothened Receptor In Complex With Anta Xv" 99.06 468 97.14 97.14 1.13e-63 PDB 4QIN "Structure Of The Human Smoothened Receptor In Complex With Sag1.5" 99.06 468 97.14 97.14 1.13e-63 PDB 4RWA "Synchrotron Structure Of The Human Delta Opioid Receptor In Complex With A Bifunctional Peptide (psi Community Target)" 99.06 411 97.14 97.14 3.24e-64 PDB 4RWD "Xfel Structure Of The Human Delta Opioid Receptor In Complex With A Bifunctional Peptide" 99.06 411 97.14 97.14 3.24e-64 EMBL CDX09681 "soluble cytochrome b562,Soluble cytochrome b562 precursor,cytochrome b562,Soluble cytochrome b562,Cytochrome b562 [Shigella fle" 80.19 114 97.65 97.65 2.75e-50 GB AAN45672 "Soluble cytochrome B562 precursor [Shigella flexneri 2a str. 301]" 80.19 114 97.65 97.65 2.75e-50 GB AIL38642 "CybC [Shigella flexneri 2003036]" 80.19 114 97.65 97.65 2.75e-50 GB AIL43578 "CybC [Shigella flexneri Shi06HN006]" 80.19 114 97.65 97.65 2.75e-50 GB EFS10896 "cytochrome b562 family protein [Shigella flexneri 2a str. 2457T]" 74.53 86 97.47 97.47 1.46e-45 GB EGJ79391 "cytochrome b562 family protein [Shigella flexneri K-671]" 80.19 114 97.65 97.65 2.75e-50 REF NP_709965 "soluble cytochrome B562 [Shigella flexneri 2a str. 301]" 80.19 114 97.65 97.65 2.75e-50 REF WP_005086530 "cytochrome B562 [Shigella flexneri]" 80.19 114 97.65 97.65 2.75e-50 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $B562 Human 9606 Eukaryota Metazoa Homon 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 $B562 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $B562 1.5 mM '[U-15N; U-13C]' 'Sodium acetate' 50 mM . H2O 92.5 % . D2O 7.5 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $B562 1.5 mM [U-13C] 'Sodium acetate' 50 mM . H2O 92.5 % . D2O 7.5 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version XPLOR-NIH-2.9 loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HSQC' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.84 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 . C 13 . ppm . . . . . . . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D HSQC' '3D 13C-separated NOESY' '3D 15N-separated NOESY' HNHA '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'redesigned apocytochrome B562' _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 4.4200 . . 2 . 1 ALA HB H 1.5200 . . 3 . 1 ALA CA C 49.2160 . . 4 . 1 ALA CB C 17.1290 . . 5 . 2 ASP H H 8.8470 . . 6 . 2 ASP HA H 4.6100 . . 7 . 2 ASP HB2 H 2.8100 . . 8 . 2 ASP HB3 H 2.7600 . . 9 . 2 ASP CA C 51.5310 . . 10 . 2 ASP CB C 38.8110 . . 11 . 2 ASP N N 120.3730 . . 12 . 3 LEU H H 8.6840 . . 13 . 3 LEU HA H 3.8900 . . 14 . 3 LEU HB2 H 1.7800 . . 15 . 3 LEU HB3 H 1.5000 . . 16 . 3 LEU HG H 1.3700 . . 17 . 3 LEU HD1 H 1.0400 . . 18 . 3 LEU HD2 H 0.6900 . . 19 . 3 LEU CA C 56.300 . . 20 . 3 LEU CB C 39.0990 . . 21 . 3 LEU CG C 25.7800 . . 22 . 3 LEU CD1 C 23.0600 . . 23 . 3 LEU CD2 C 20.5400 . . 24 . 3 LEU N N 123.5320 . . 25 . 4 GLU H H 8.6230 . . 26 . 4 GLU HA H 4.3800 . . 27 . 4 GLU HB2 H 2.1750 . . 28 . 4 GLU HB3 H 2.1760 . . 29 . 4 GLU HG2 H 2.5200 . . 30 . 4 GLU HG3 H 2.4800 . . 31 . 4 GLU CA C 56.8070 . . 32 . 4 GLU CB C 26.2360 . . 33 . 4 GLU CG C 32.8800 . . 34 . 4 GLU N N 115.9050 . . 35 . 5 ASP H H 7.6050 . . 36 . 5 ASP HA H 4.5040 . . 37 . 5 ASP HB2 H 2.8200 . . 38 . 5 ASP HB3 H 2.7000 . . 39 . 5 ASP CA C 54.7800 . . 40 . 5 ASP CB C 38.3770 . . 41 . 5 ASP N N 118.7740 . . 42 . 6 ASN H H 7.8650 . . 43 . 6 ASN HA H 4.5300 . . 44 . 6 ASN HB2 H 2.5400 . . 45 . 6 ASN HB3 H 2.2400 . . 46 . 6 ASN HD21 H 7.1770 . . 47 . 6 ASN HD22 H 7.0250 . . 48 . 6 ASN CA C 54.6300 . . 49 . 6 ASN CB C 36.4980 . . 50 . 6 ASN N N 118.7510 . . 51 . 6 ASN ND2 N 113.1950 . . 52 . 7 TRP H H 8.7180 . . 53 . 7 TRP HA H 4.7800 . . 54 . 7 TRP HB2 H 3.4500 . . 55 . 7 TRP HB3 H 3.3700 . . 56 . 7 TRP HD1 H 7.2900 . . 57 . 7 TRP HE1 H 10.6350 . . 58 . 7 TRP HE3 H 7.6250 . . 59 . 7 TRP HZ2 H 7.6200 . . 60 . 7 TRP HZ3 H 7.2930 . . 61 . 7 TRP HH2 H 6.8800 . . 62 . 7 TRP CA C 58.1890 . . 63 . 7 TRP CB C 27.9730 . . 64 . 7 TRP N N 119.6220 . . 65 . 8 GLU H H 8.0150 . . 66 . 8 GLU HA H 4.2100 . . 67 . 8 GLU HB2 H 2.2900 . . 68 . 8 GLU HB3 H 2.1000 . . 69 . 8 GLU HG2 H 2.5900 . . 70 . 8 GLU HG3 H 2.5100 . . 71 . 8 GLU CA C 57.4570 . . 72 . 8 GLU CB C 26.1630 . . 73 . 8 GLU CG C 34.3900 . . 74 . 8 GLU N N 118.9800 . . 75 . 9 THR H H 8.5740 . . 76 . 9 THR HA H 4.0400 . . 77 . 9 THR HB H 4.2600 . . 78 . 9 THR HG2 H 1.1300 . . 79 . 9 THR CA C 64.540 . . 80 . 9 THR CB C 65.9130 . . 81 . 9 THR CG2 C 18.9800 . . 82 . 9 THR N N 117.7170 . . 83 . 10 LEU H H 8.3840 . . 84 . 10 LEU HA H 4.0600 . . 85 . 10 LEU HB2 H 2.4200 . . 86 . 10 LEU HB3 H 1.4300 . . 87 . 10 LEU HG H 1.9400 . . 88 . 10 LEU HD1 H 0.9200 . . 89 . 10 LEU HD2 H 1.0200 . . 90 . 10 LEU CA C 57.3170 . . 91 . 10 LEU CB C 39.1010 . . 92 . 10 LEU CG C 25.5800 . . 93 . 10 LEU CD1 C 23.0600 . . 94 . 10 LEU CD2 C 22.4600 . . 95 . 10 LEU N N 122.7940 . . 96 . 11 ASN H H 8.3130 . . 97 . 11 ASN HA H 4.5000 . . 98 . 11 ASN HB2 H 2.9200 . . 99 . 11 ASN HB3 H 2.8170 . . 100 . 11 ASN HD21 H 7.4640 . . 101 . 11 ASN HD22 H 6.7220 . . 102 . 11 ASN CA C 54.5660 . . 103 . 11 ASN CB C 36.8610 . . 104 . 11 ASN N N 116.3510 . . 105 . 11 ASN ND2 N 111.9760 . . 106 . 12 ASP H H 9.4140 . . 107 . 12 ASP HA H 4.4200 . . 108 . 12 ASP HB2 H 2.8000 . . 109 . 12 ASP HB3 H 2.6800 . . 110 . 12 ASP CA C 55.1450 . . 111 . 12 ASP CB C 37.7990 . . 112 . 12 ASP N N 120.5630 . . 113 . 13 ASN H H 7.8170 . . 114 . 13 ASN HA H 4.5300 . . 115 . 13 ASN HB2 H 2.8300 . . 116 . 13 ASN HB3 H 2.7000 . . 117 . 13 ASN HD21 H 7.6630 . . 118 . 13 ASN HD22 H 7.2080 . . 119 . 13 ASN CA C 55.5040 . . 120 . 13 ASN CB C 38.3050 . . 121 . 13 ASN N N 116.6930 . . 122 . 13 ASN ND2 N 113.2070 . . 123 . 14 LEU H H 7.8170 . . 124 . 14 LEU HA H 4.0800 . . 125 . 14 LEU HB2 H 2.0800 . . 126 . 14 LEU HB3 H 1.3370 . . 127 . 14 LEU HG H 1.8900 . . 128 . 14 LEU HD1 H 0.8200 . . 129 . 14 LEU HD2 H 0.7800 . . 130 . 14 LEU CA C 56.2290 . . 131 . 14 LEU CB C 39.1010 . . 132 . 14 LEU CG C 25.3300 . . 133 . 14 LEU CD1 C 23.0600 . . 134 . 14 LEU CD2 C 22.2500 . . 135 . 14 LEU N N 122.1220 . . 136 . 15 LYS H H 7.2420 . . 137 . 15 LYS HA H 4.0900 . . 138 . 15 LYS HB2 H 1.9500 . . 139 . 15 LYS HG2 H 1.6500 . . 140 . 15 LYS HG3 H 1.6400 . . 141 . 15 LYS HD2 H 1.7200 . . 142 . 15 LYS HE2 H 2.9800 . . 143 . 15 LYS CA C 56.9510 . . 144 . 15 LYS CB C 29.5660 . . 145 . 15 LYS CG C 23.0600 . . 146 . 15 LYS CD C 27.3400 . . 147 . 15 LYS CE C 39.9300 . . 148 . 15 LYS N N 118.3331590 . . 149 . 16 VAL H H 7.2270 . . 150 . 16 VAL HA H 3.5500 . . 151 . 16 VAL HB H 2.3800 . . 152 . 16 VAL HG1 H 1.0800 . . 153 . 16 VAL HG2 H 0.9100 . . 154 . 16 VAL CA C 63.8170 . . 155 . 16 VAL CB C 29.4880 . . 156 . 16 VAL CG1 C 18.8300 . . 157 . 16 VAL CG2 C 18.2500 . . 158 . 16 VAL N N 118.5740 . . 159 . 17 ILE H H 7.8770 . . 160 . 17 ILE HA H 3.3950 . . 161 . 17 ILE HB H 2.0210 . . 162 . 17 ILE HG12 H 1.5400 . . 163 . 17 ILE HG13 H 1.5400 . . 164 . 17 ILE HG2 H 0.8900 . . 165 . 17 ILE HD1 H 0.8400 . . 166 . 17 ILE CA C 64.0340 . . 167 . 17 ILE CB C 36.0650 . . 168 . 17 ILE CG1 C 27.9100 . . 169 . 17 ILE CG2 C 15.2100 . . 170 . 17 ILE CD1 C 13.4000 . . 171 . 17 ILE N N 118.6010 . . 172 . 18 GLU H H 7.8600 . . 173 . 18 GLU HA H 3.9420 . . 174 . 18 GLU HB2 H 2.0600 . . 175 . 18 GLU HB3 H 2.0600 . . 176 . 18 GLU HG2 H 2.3700 . . 177 . 18 GLU HG3 H 2.3000 . . 178 . 18 GLU CA C 56.8070 . . 179 . 18 GLU CB C 27.3210 . . 180 . 18 GLU CG C 32.7800 . . 181 . 18 GLU N N 117.7210 . . 182 . 19 LYS H H 7.1340 . . 183 . 19 LYS HA H 4.4230 . . 184 . 19 LYS HB2 H 1.9600 . . 185 . 19 LYS HB3 H 1.7600 . . 186 . 19 LYS HG2 H 1.5100 . . 187 . 19 LYS HD2 H 1.6400 . . 188 . 19 LYS HE2 H 2.9700 . . 189 . 19 LYS CA C 52.9760 . . 190 . 19 LYS CB C 30.9330 . . 191 . 19 LYS CG C 22.6100 . . 192 . 19 LYS CD C 27.1400 . . 193 . 19 LYS CE C 40.4800 . . 194 . 19 LYS N N 114.2410 . . 195 . 20 ALA H H 7.2550 . . 196 . 20 ALA HA H 4.1300 . . 197 . 20 ALA HB H 1.4600 . . 198 . 20 ALA CA C 51.0970 . . 199 . 20 ALA CB C 18.9360 . . 200 . 20 ALA N N 123.1700 . . 201 . 21 ASP H H 8.7460 . . 202 . 21 ASP HA H 4.8100 . . 203 . 21 ASP HB2 H 2.8500 . . 204 . 21 ASP HB3 H 2.6500 . . 205 . 21 ASP CA C 51.2470 . . 206 . 21 ASP CB C 40.6180 . . 207 . 21 ASP N N 116.3560 . . 208 . 22 ASN H H 7.6220 . . 209 . 22 ASN HA H 4.9400 . . 210 . 22 ASN HB2 H 2.9600 . . 211 . 22 ASN HB3 H 2.9080 . . 212 . 22 ASN HD21 H 7.6790 . . 213 . 22 ASN HD22 H 6.8710 . . 214 . 22 ASN CA C 49.9410 . . 215 . 22 ASN CB C 39.2450 . . 216 . 22 ASN N N 112.8950 . . 217 . 22 ASN ND2 N 114.880 . . 218 . 23 ALA H H 9.0160 . . 219 . 23 ALA HA H 3.7700 . . 220 . 23 ALA HB H 1.5100 . . 221 . 23 ALA CA C 53.1210 . . 222 . 23 ALA CB C 16.4730 . . 223 . 23 ALA N N 121.7810 . . 224 . 24 ALA H H 8.4240 . . 225 . 24 ALA HA H 4.0100 . . 226 . 24 ALA HB H 1.4700 . . 227 . 24 ALA CA C 53.5530 . . 228 . 24 ALA CB C 15.2530 . . 229 . 25 GLN H H 8.0190 . . 230 . 25 GLN HA H 4.0980 . . 231 . 25 GLN HB2 H 1.900 . . 232 . 25 GLN HG2 H 2.3840 . . 233 . 25 GLN HG3 H 2.3200 . . 234 . 25 GLN HE21 H 7.3670 . . 235 . 25 GLN HE22 H 7.0460 . . 236 . 25 GLN CA C 56.2290 . . 237 . 25 GLN CB C 27.4650 . . 238 . 25 GLN CG C 31.6700 . . 239 . 25 GLN N N 117.0710 . . 240 . 25 GLN NE2 N 111.0110 . . 241 . 26 VAL H H 7.1080 . . 242 . 26 VAL HA H 3.4730 . . 243 . 26 VAL HB H 2.1200 . . 244 . 26 VAL HG1 H 1.0500 . . 245 . 26 VAL HG2 H 0.8600 . . 246 . 26 VAL CA C 64.5470 . . 247 . 26 VAL CB C 29.5640 . . 248 . 26 VAL CG1 C 19.4400 . . 249 . 26 VAL CG2 C 18.8300 . . 250 . 26 VAL N N 117.7120 . . 251 . 27 LYS H H 8.7350 . . 252 . 27 LYS HA H 3.7100 . . 253 . 27 LYS HB2 H 1.7600 . . 254 . 27 LYS HB3 H 1.7500 . . 255 . 27 LYS HG2 H 1.4800 . . 256 . 27 LYS HD2 H 1.6510 . . 257 . 27 LYS HE2 H 2.9000 . . 258 . 27 LYS CA C 58.1890 . . 259 . 27 LYS CB C 30.2110 . . 260 . 27 LYS CG C 22.6120 . . 261 . 27 LYS CD C 28.0500 . . 262 . 27 LYS CE C 39.9300 . . 263 . 27 LYS N N 119.3640 . . 264 . 28 ASP H H 8.2390 . . 265 . 28 ASP HA H 4.3200 . . 266 . 28 ASP HB2 H 2.7400 . . 267 . 28 ASP HB3 H 2.5800 . . 268 . 28 ASP CA C 55.3610 . . 269 . 28 ASP CB C 38.9510 . . 270 . 28 ASP N N 120.6320 . . 271 . 29 ALA H H 7.5860 . . 272 . 29 ALA HA H 4.1700 . . 273 . 29 ALA HB H 1.5300 . . 274 . 29 ALA CA C 52.7580 . . 275 . 29 ALA CB C 17.2740 . . 276 . 29 ALA N N 121.3600 . . 277 . 30 LEU H H 8.5140 . . 278 . 30 LEU HA H 4.0600 . . 279 . 30 LEU HB2 H 2.0600 . . 280 . 30 LEU HB3 H 1.3100 . . 281 . 30 LEU HG H 1.8700 . . 282 . 30 LEU HD1 H 0.9240 . . 283 . 30 LEU HD2 H 0.7000 . . 284 . 30 LEU CA C 55.6510 . . 285 . 30 LEU CB C 40.4020 . . 286 . 30 LEU CG C 25.0200 . . 287 . 30 LEU CD1 C 23.0600 . . 288 . 30 LEU CD2 C 24.4200 . . 289 . 30 LEU N N 117.7700 . . 290 . 31 THR H H 8.3330 . . 291 . 31 THR HA H 3.7610 . . 292 . 31 THR HB H 4.4720 . . 293 . 31 THR HG2 H 1.2700 . . 294 . 31 THR CA C 65.4850 . . 295 . 31 THR CB C 66.9970 . . 296 . 31 THR CG2 C 18.0820 . . 297 . 31 THR N N 116.3500 . . 298 . 32 LYS H H 7.7360 . . 299 . 32 LYS HA H 4.0500 . . 300 . 32 LYS HB2 H 1.7200 . . 301 . 32 LYS HB3 H 1.7200 . . 302 . 32 LYS HG2 H 1.4600 . . 303 . 32 LYS HG3 H 1.4000 . . 304 . 32 LYS HD2 H 1.6300 . . 305 . 32 LYS HE2 H 2.9800 . . 306 . 32 LYS HZ H 6.9500 . . 307 . 32 LYS CA C 57.4570 . . 308 . 32 LYS CB C 30.3530 . . 309 . 32 LYS CG C 23.2500 . . 310 . 32 LYS CD C 28.0700 . . 311 . 32 LYS CE C 40.2830 . . 312 . 32 LYS N N 122.9820 . . 313 . 33 MET H H 8.3630 . . 314 . 33 MET HA H 3.7300 . . 315 . 33 MET HB2 H 2.0000 . . 316 . 33 MET HB3 H 1.9300 . . 317 . 33 MET HG2 H 2.3800 . . 318 . 33 MET HE H 2.3600 . . 319 . 33 MET CA C 57.6740 . . 320 . 33 MET CB C 31.1520 . . 321 . 33 MET CG C 31.2200 . . 322 . 33 MET N N 118.5280 . . 323 . 34 ARG H H 8.5560 . . 324 . 34 ARG HA H 3.6000 . . 325 . 34 ARG HB2 H 2.0100 . . 326 . 34 ARG HG2 H 1.9200 . . 327 . 34 ARG HD2 H 3.2400 . . 328 . 34 ARG HD3 H 2.7800 . . 329 . 34 ARG HE H 7.7900 . . 330 . 34 ARG HH11 H 6.7430 . . 331 . 34 ARG HH12 H 6.7430 . . 332 . 34 ARG CA C 58.1800 . . 333 . 34 ARG CB C 28.250 . . 334 . 34 ARG CG C 27.3400 . . 335 . 34 ARG CD C 40.287500 . . 336 . 34 ARG N N 120.7130 . . 337 . 35 ALA H H 7.2010 . . 338 . 35 ALA HA H 4.0400 . . 339 . 35 ALA HB H 1.4400 . . 340 . 35 ALA CA C 52.6150 . . 341 . 35 ALA CB C 16.0450 . . 342 . 35 ALA N N 117.2800 . . 343 . 36 ALA H H 7.6450 . . 344 . 36 ALA HA H 4.0600 . . 345 . 36 ALA HB H 1.5000 . . 346 . 36 ALA CA C 52.3980 . . 347 . 36 ALA CB C 15.9010 . . 348 . 36 ALA N N 120.5460 . . 349 . 37 ALA H H 8.4830 . . 350 . 37 ALA HA H 3.7400 . . 351 . 37 ALA HB H 1.4400 . . 352 . 37 ALA CA C 52.3260 . . 353 . 37 ALA CB C 16.4790 . . 354 . 37 ALA N N 120.1190 . . 355 . 38 LEU H H 7.6610 . . 356 . 38 LEU HA H 3.8700 . . 357 . 38 LEU HB2 H 1.7700 . . 358 . 38 LEU HB3 H 1.3600 . . 359 . 38 LEU HG H 1.5500 . . 360 . 38 LEU HD1 H 0.8800 . . 361 . 38 LEU HD2 H 0.86000 . . 362 . 38 LEU CA C 55.0110 . . 363 . 38 LEU CB C 39.4620 . . 364 . 38 LEU CG C 24.8700 . . 365 . 38 LEU CD1 C 20.3400 . . 366 . 38 LEU CD2 C 20.3500 . . 367 . 38 LEU N N 115.6610 . . 368 . 39 ASP H H 7.6350 . . 369 . 39 ASP HA H 4.2500 . . 370 . 39 ASP HB2 H 2.5700 . . 371 . 39 ASP CA C 54.9280 . . 372 . 39 ASP CB C 39.3840 . . 373 . 39 ASP N N 119.5310 . . 374 . 40 ALA H H 8.1480 . . 375 . 40 ALA HA H 3.5700 . . 376 . 40 ALA HB H 0.4300 . . 377 . 40 ALA CA C 52.5420 . . 378 . 40 ALA CB C 15.4630 . . 379 . 40 ALA N N 123.7320 . . 380 . 41 GLN H H 6.8420 . . 381 . 41 GLN HA H 3.2800 . . 382 . 41 GLN HB2 H 2.0500 . . 383 . 41 GLN HB3 H 1.7100 . . 384 . 41 GLN HG2 H 2.3500 . . 385 . 41 GLN HG3 H 2.2100 . . 386 . 41 GLN HE21 H 7.5150 . . 387 . 41 GLN HE22 H 6.8680 . . 388 . 41 GLN CA C 55.5060 . . 389 . 41 GLN CB C 26.9580 . . 390 . 41 GLN CG C 32.2000 . . 391 . 41 GLN N N 112.3460 . . 392 . 41 GLN NE2 N 111.9820 . . 393 . 42 LYS H H 6.9930 . . 394 . 42 LYS HA H 4.2500 . . 395 . 42 LYS HB2 H 1.9700 . . 396 . 42 LYS HB3 H 1.8200 . . 397 . 42 LYS HG2 H 1.4700 . . 398 . 42 LYS HD2 H 1.7000 . . 399 . 42 LYS HE2 H 2.9700 . . 400 . 42 LYS CA C 53.9880 . . 401 . 42 LYS CB C 30.8620 . . 402 . 42 LYS CG C 22.8600 . . 403 . 42 LYS CD C 27.7900 . . 404 . 42 LYS CE C 40.6800 . . 405 . 42 LYS N N 114.0780 . . 406 . 43 ALA H H 7.7150 . . 407 . 43 ALA HA H 4.3800 . . 408 . 43 ALA HB H 1.5100 . . 409 . 43 ALA CA C 49.4350 . . 410 . 43 ALA CB C 19.3720 . . 411 . 43 ALA N N 123.1120 . . 412 . 44 THR H H 8.1800 . . 413 . 44 THR HA H 4.4230 . . 414 . 44 THR HB H 3.9400 . . 415 . 44 THR HG2 H 1.1200 . . 416 . 44 THR CA C 57.2410 . . 417 . 44 THR CB C 68.0810 . . 418 . 44 THR CG2 C 17.6220 . . 419 . 44 THR N N 114.3940 . . 420 . 45 PRO HA H 4.3400 . . 421 . 45 PRO HB2 H 2.2600 . . 422 . 45 PRO HB3 H 1.9800 . . 423 . 45 PRO HG2 H 2.0800 . . 424 . 45 PRO HG3 H 2.0800 . . 425 . 45 PRO HD2 H 3.8700 . . 426 . 45 PRO HD3 H 3.8600 . . 427 . 45 PRO CA C 63.3900 . . 428 . 45 PRO CB C 29.8730 . . 429 . 45 PRO CG C 27.2900 . . 430 . 45 PRO CD C 48.5800 . . 431 . 46 PRO HA H 4.2300 . . 432 . 46 PRO HB2 H 2.2700 . . 433 . 46 PRO HB3 H 1.9800 . . 434 . 46 PRO HG2 H 2.2000 . . 435 . 46 PRO HG3 H 2.1900 . . 436 . 46 PRO HD2 H 3.9800 . . 437 . 46 PRO CA C 63.2390 . . 438 . 46 PRO CB C 29.9940 . . 439 . 46 PRO CG C 27.2900 . . 440 . 46 PRO CD C 48.4400 . . 441 . 47 LYS H H 8.2160 . . 442 . 47 LYS HA H 4.2650 . . 443 . 47 LYS HB2 H 1.9600 . . 444 . 47 LYS HG2 H 1.5300 . . 445 . 47 LYS HD2 H 1.7000 . . 446 . 47 LYS HE2 H 2.9900 . . 447 . 47 LYS CA C 55.7230 . . 448 . 47 LYS CB C 29.9940 . . 449 . 47 LYS CG C 23.5200 . . 450 . 47 LYS CD C 27.5900 . . 451 . 47 LYS CE C 40.5900 . . 452 . 47 LYS N N 113.5930 . . 453 . 48 LEU H H 7.7080 . . 454 . 48 LEU HA H 4.5900 . . 455 . 48 LEU HB2 H 1.6400 . . 456 . 48 LEU HB3 H 1.4500 . . 457 . 48 LEU HG H 1.4300 . . 458 . 48 LEU HD1 H 0.8800 . . 459 . 48 LEU HD2 H 0.6900 . . 460 . 48 LEU CA C 51.3140 . . 461 . 48 LEU CB C 40.1120 . . 462 . 48 LEU CG C 25.7800 . . 463 . 48 LEU CD1 C 21.2500 . . 464 . 48 LEU CD2 C 23.0600 . . 465 . 48 LEU N N 116.6680 . . 466 . 49 GLU HA H 4.0900 . . 467 . 49 GLU HB2 H 2.1500 . . 468 . 49 GLU HB3 H 2.1500 . . 469 . 49 GLU HG2 H 2.3900 . . 470 . 49 GLU HG3 H 2.3900 . . 471 . 49 GLU CA C 56.5900 . . 472 . 49 GLU CB C 27.0320 . . 473 . 49 GLU CG C 32.5800 . . 474 . 50 ASP H H 8.5100 . . 475 . 50 ASP HA H 4.6500 . . 476 . 50 ASP HB2 H 2.7600 . . 477 . 50 ASP HB3 H 2.7600 . . 478 . 50 ASP CA C 51.3130 . . 479 . 50 ASP CB C 37.9440 . . 480 . 50 ASP N N 116.0090 . . 481 . 51 LYS H H 7.7660 . . 482 . 51 LYS HA H 4.4900 . . 483 . 51 LYS HB2 H 1.9100 . . 484 . 51 LYS HB3 H 1.8800 . . 485 . 51 LYS HG2 H 1.4100 . . 486 . 51 LYS HG3 H 1.3000 . . 487 . 51 LYS HD2 H 1.6400 . . 488 . 51 LYS HD3 H 1.6400 . . 489 . 51 LYS HE2 H 2.9900 . . 490 . 51 LYS CA C 51.8290 . . 491 . 51 LYS CB C 30.490 . . 492 . 51 LYS CG C 22.6100 . . 493 . 51 LYS CD C 28.0500 . . 494 . 51 LYS CE C 40.7300 . . 495 . 51 LYS N N 119.7940 . . 496 . 52 SER H H 8.7170 . . 497 . 52 SER HA H 4.7200 . . 498 . 52 SER HB2 H 4.1700 . . 499 . 52 SER HB3 H 3.9800 . . 500 . 52 SER CA C 54.6390 . . 501 . 52 SER CB C 60.9260 . . 502 . 52 SER N N 116.9650 . . 503 . 53 PRO HA H 4.3300 . . 504 . 53 PRO HB2 H 2.4000 . . 505 . 53 PRO HB3 H 1.9800 . . 506 . 53 PRO HG2 H 2.0800 . . 507 . 53 PRO HD2 H 3.9400 . . 508 . 53 PRO CA C 63.3110 . . 509 . 53 PRO CB C 29.7060 . . 510 . 53 PRO CG C 26.6900 . . 511 . 53 PRO CD C 49.0400 . . 512 . 54 ASP H H 7.9770 . . 513 . 54 ASP HA H 4.8300 . . 514 . 54 ASP HB2 H 2.8300 . . 515 . 54 ASP HB3 H 2.6400 . . 516 . 54 ASP CA C 50.7360 . . 517 . 54 ASP CB C 38.7320 . . 518 . 54 ASP N N 113.6740 . . 519 . 55 SER H H 7.7690 . . 520 . 55 SER HA H 4.5400 . . 521 . 55 SER HB2 H 4.2900 . . 522 . 55 SER HB3 H 4.2900 . . 523 . 55 SER CA C 54.7840 . . 524 . 55 SER CB C 60.8540 . . 525 . 55 SER N N 116.2580 . . 526 . 56 PRO HA H 4.3400 . . 527 . 56 PRO HB2 H 2.4000 . . 528 . 56 PRO HB3 H 1.9800 . . 529 . 56 PRO HG2 H 2.0800 . . 530 . 56 PRO HG3 H 2.0800 . . 531 . 56 PRO HD2 H 3.9400 . . 532 . 56 PRO CA C 63.8880 . . 533 . 56 PRO CB C 30.0670 . . 534 . 56 PRO CG C 26.6900 . . 535 . 56 PRO CD C 49.6500 . . 536 . 57 GLU HA H 4.1100 . . 537 . 57 GLU HB2 H 2.3300 . . 538 . 57 GLU HB3 H 1.9000 . . 539 . 57 GLU HG2 H 2.5900 . . 540 . 57 GLU HG3 H 2.3800 . . 541 . 57 GLU CA C 58.6140 . . 542 . 57 GLU CB C 27.7570 . . 543 . 57 GLU CG C 32.1200 . . 544 . 57 GLU N N 116.8240 . . 545 . 58 MET H H 7.6770 . . 546 . 58 MET HA H 4.5900 . . 547 . 58 MET HB2 H 2.2300 . . 548 . 58 MET HB3 H 2.0800 . . 549 . 58 MET HG2 H 2.7800 . . 550 . 58 MET HG3 H 2.2700 . . 551 . 58 MET HE H 2.1700 . . 552 . 58 MET CA C 54.1330 . . 553 . 58 MET CB C 28.0430 . . 554 . 58 MET CG C 30.1100 . . 555 . 58 MET N N 119.0710 . . 556 . 59 LYS H H 8.4630 . . 557 . 59 LYS HA H 4.0100 . . 558 . 59 LYS HB2 H 1.9300 . . 559 . 59 LYS HB3 H 1.9370 . . 560 . 59 LYS HG2 H 1.4400 . . 561 . 59 LYS HD2 H 1.6000 . . 562 . 59 LYS HD3 H 1.5900 . . 563 . 59 LYS HE2 H 2.9400 . . 564 . 59 LYS CA C 58.1800 . . 565 . 59 LYS CB C 29.9940 . . 566 . 59 LYS CG C 23.2500 . . 567 . 59 LYS CD C 27.5900 . . 568 . 59 LYS CE C 39.8300 . . 569 . 59 LYS N N 120.1190 . . 570 . 60 ASP H H 8.3570 . . 571 . 60 ASP HA H 4.6050 . . 572 . 60 ASP HB2 H 3.0200 . . 573 . 60 ASP HB3 H 2.9200 . . 574 . 60 ASP CA C 55.3610 . . 575 . 60 ASP CB C 38.9560 . . 576 . 60 ASP N N 120.8380 . . 577 . 61 PHE H H 8.2600 . . 578 . 61 PHE HA H 4.0900 . . 579 . 61 PHE HB2 H 3.2400 . . 580 . 61 PHE HB3 H 2.7000 . . 581 . 61 PHE HD1 H 6.6390 . . 582 . 61 PHE HD2 H 6.6390 . . 583 . 61 PHE HE1 H 7.3170 . . 584 . 61 PHE HE2 H 7.3170 . . 585 . 61 PHE HZ H 6.3850 . . 586 . 61 PHE CA C 59.1230 . . 587 . 61 PHE CB C 36.6430 . . 588 . 61 PHE N N 121.6820 . . 589 . 62 ARG H H 8.4780 . . 590 . 62 ARG HA H 3.8000 . . 591 . 62 ARG HB2 H 1.7700 . . 592 . 62 ARG HB3 H 1.7700 . . 593 . 62 ARG HG2 H 1.6700 . . 594 . 62 ARG HG3 H 1.6700 . . 595 . 62 ARG HD2 H 2.9400 . . 596 . 62 ARG HD3 H 2.9400 . . 597 . 62 ARG HE H 7.5170 . . 598 . 62 ARG HH11 H 6.5700 . . 599 . 62 ARG CA C 59.1230 . . 600 . 62 ARG CB C 28.2410 . . 601 . 62 ARG CG C 26.6900 . . 602 . 62 ARG CD C 40.2800 . . 603 . 62 ARG N N 116.6460 . . 604 . 63 HIS H H 8.6960 . . 605 . 63 HIS HA H 4.6000 . . 606 . 63 HIS HB2 H 3.5600 . . 607 . 63 HIS HB3 H 3.4530 . . 608 . 63 HIS HD2 H 7.3880 . . 609 . 63 HIS HE1 H 7.7370 . . 610 . 63 HIS CA C 56.0120 . . 611 . 63 HIS CB C 25.8020 . . 612 . 63 HIS N N 119.0360 . . 613 . 64 GLY H H 8.1920 . . 614 . 64 GLY HA2 H 3.2100 . . 615 . 64 GLY HA3 H 3.0300 . . 616 . 64 GLY CA C 44.3040 . . 617 . 64 GLY N N 107.0330 . . 618 . 65 PHE H H 6.9670 . . 619 . 65 PHE HA H 4.1000 . . 620 . 65 PHE HB2 H 2.8500 . . 621 . 65 PHE HB3 H 2.6300 . . 622 . 65 PHE HD1 H 6.7010 . . 623 . 65 PHE HD2 H 6.7010 . . 624 . 65 PHE HE1 H 6.3790 . . 625 . 65 PHE HE2 H 6.3790 . . 626 . 65 PHE HZ H 6.4990 . . 627 . 65 PHE CA C 60.4930 . . 628 . 65 PHE CB C 36.9320 . . 629 . 65 PHE N N 117.7490 . . 630 . 66 ASP H H 7.5100 . . 631 . 66 ASP HA H 4.4200 . . 632 . 66 ASP HB2 H 2.7900 . . 633 . 66 ASP HB3 H 2.6800 . . 634 . 66 ASP CA C 55.7940 . . 635 . 66 ASP CB C 37.7260 . . 636 . 66 ASP N N 121.5800 . . 637 . 67 ILE H H 7.6250 . . 638 . 67 ILE HA H 3.6300 . . 639 . 67 ILE HB H 1.8800 . . 640 . 67 ILE HG12 H 1.1700 . . 641 . 67 ILE HG13 H 0.9300 . . 642 . 67 ILE HG2 H 0.8200 . . 643 . 67 ILE HD1 H 0.7010 . . 644 . 67 ILE CA C 61.5760 . . 645 . 67 ILE CB C 34.6920 . . 646 . 67 ILE CG1 C 24.8700 . . 647 . 67 ILE CG2 C 14.0000 . . 648 . 67 ILE CD1 C 13.4000 . . 649 . 67 ILE N N 120.6640 . . 650 . 68 LEU H H 7.7170 . . 651 . 68 LEU HA H 4.1400 . . 652 . 68 LEU HB2 H 1.7900 . . 653 . 68 LEU HB3 H 1.5500 . . 654 . 68 LEU HG H 1.6200 . . 655 . 68 LEU HD1 H 0.8800 . . 656 . 68 LEU HD2 H 0.8600 . . 657 . 68 LEU CA C 55.7950 . . 658 . 68 LEU CB C 40.3290 . . 659 . 68 LEU CG C 25.0700 . . 660 . 68 LEU CD1 C 23.5000 . . 661 . 68 LEU CD2 C 23.0600 . . 662 . 68 LEU N N 120.3610 . . 663 . 69 VAL H H 8.7080 . . 664 . 69 VAL HA H 3.4400 . . 665 . 69 VAL HB H 2.1800 . . 666 . 69 VAL HG1 H 1.0400 . . 667 . 69 VAL HG2 H 0.9000 . . 668 . 69 VAL CA C 65.6930 . . 669 . 69 VAL CB C 29.1270 . . 670 . 69 VAL CG1 C 20.6500 . . 671 . 69 VAL CG2 C 18.8300 . . 672 . 69 VAL N N 119.0360 . . 673 . 70 GLY H H 7.7780 . . 674 . 70 GLY HA2 H 3.8800 . . 675 . 70 GLY HA3 H 3.8700 . . 676 . 70 GLY CA C 45.3880 . . 677 . 70 GLY N N 105.9420 . . 678 . 71 GLN H H 7.9130 . . 679 . 71 GLN HA H 4.2100 . . 680 . 71 GLN HB2 H 1.9800 . . 681 . 71 GLN HG2 H 2.3400 . . 682 . 71 GLN HG3 H 2.3200 . . 683 . 71 GLN HE21 H 7.2190 . . 684 . 71 GLN HE22 H 6.1260 . . 685 . 71 GLN CA C 56.7350 . . 686 . 71 GLN CB C 26.8820 . . 687 . 71 GLN CG C 31.8700 . . 688 . 71 GLN N N 120.6690 . . 689 . 71 GLN NE2 N 107.1410 . . 690 . 72 ILE H H 8.8800 . . 691 . 72 ILE HA H 3.5200 . . 692 . 72 ILE HB H 2.0700 . . 693 . 72 ILE HG12 H 0.9500 . . 694 . 72 ILE HG2 H 0.8000 . . 695 . 72 ILE HD1 H 0.7100 . . 696 . 72 ILE CA C 64.0340 . . 697 . 72 ILE CB C 35.7760 . . 698 . 72 ILE CG2 C 12.7900 . . 699 . 72 ILE CD1 C 11.5800 . . 700 . 72 ILE N N 123.8890 . . 701 . 73 ASP H H 8.9600 . . 702 . 73 ASP HA H 4.5800 . . 703 . 73 ASP HB2 H 3.0400 . . 704 . 73 ASP HB3 H 2.9300 . . 705 . 73 ASP CA C 55.6540 . . 706 . 73 ASP CB C 37.1400 . . 707 . 73 ASP N N 121.8940 . . 708 . 74 ASP H H 8.0950 . . 709 . 74 ASP HA H 4.4700 . . 710 . 74 ASP HB2 H 2.8440 . . 711 . 74 ASP HB3 H 2.7100 . . 712 . 74 ASP CA C 55.3610 . . 713 . 74 ASP CB C 38.0160 . . 714 . 74 ASP N N 122.0980 . . 715 . 75 ALA H H 7.8170 . . 716 . 75 ALA HA H 4.0400 . . 717 . 75 ALA HB H 1.5600 . . 718 . 75 ALA CA C 52.9080 . . 719 . 75 ALA CB C 15.7620 . . 720 . 75 ALA N N 123.4450 . . 721 . 76 LEU H H 9.1750 . . 722 . 76 LEU HA H 3.8300 . . 723 . 76 LEU HB2 H 1.990 . . 724 . 76 LEU HB3 H 1.6000 . . 725 . 76 LEU HG H 1.6300 . . 726 . 76 LEU HD1 H 0.9400 . . 727 . 76 LEU HD2 H 0.9200 . . 728 . 76 LEU CA C 55.7230 . . 729 . 76 LEU CB C 40.1100 . . 730 . 76 LEU CG C 25.7800 . . 731 . 76 LEU CD1 C 23.5200 . . 732 . 76 LEU CD2 C 23.0620 . . 733 . 76 LEU N N 121.3460 . . 734 . 77 LYS H H 7.8130 . . 735 . 77 LYS HA H 4.0700 . . 736 . 77 LYS HB2 H 1.9900 . . 737 . 77 LYS HG2 H 1.5840 . . 738 . 77 LYS HD2 H 1.7200 . . 739 . 77 LYS HD3 H 1.7200 . . 740 . 77 LYS HE2 H 2.9700 . . 741 . 77 LYS CA C 57.8910 . . 742 . 77 LYS CB C 29.9940 . . 743 . 77 LYS CG C 23.0600 . . 744 . 77 LYS CD C 29.4100 . . 745 . 77 LYS CE C 40.2800 . . 746 . 77 LYS N N 120.1110 . . 747 . 78 LEU H H 6.9760 . . 748 . 78 LEU HA H 4.1400 . . 749 . 78 LEU HB2 H 1.7900 . . 750 . 78 LEU HB3 H 1.5100 . . 751 . 78 LEU HG H 1.6100 . . 752 . 78 LEU HD1 H 0.9100 . . 753 . 78 LEU HD2 H 0.8700 . . 754 . 78 LEU CA C 55.5060 . . 755 . 78 LEU CB C 39.3800 . . 756 . 78 LEU CG C 25.3300 . . 757 . 78 LEU CD1 C 21.3500 . . 758 . 78 LEU CD2 C 21.3400 . . 759 . 78 LEU N N 116.7910 . . 760 . 79 ALA H H 8.3470 . . 761 . 79 ALA HA H 3.6600 . . 762 . 79 ALA HB H 1.3300 . . 763 . 79 ALA CA C 53.6270 . . 764 . 79 ALA CB C 15.3230 . . 765 . 79 ALA N N 121.5340 . . 766 . 80 ASN H H 8.9490 . . 767 . 80 ASN HA H 4.4300 . . 768 . 80 ASN HB2 H 2.8300 . . 769 . 80 ASN HB3 H 2.6000 . . 770 . 80 ASN HD21 H 7.3530 . . 771 . 80 ASN HD22 H 6.8650 . . 772 . 80 ASN CA C 53.4840 . . 773 . 80 ASN CB C 36.2810 . . 774 . 80 ASN N N 118.1350 . . 775 . 80 ASN ND2 N 110.9910 . . 776 . 81 GLU H H 7.5010 . . 777 . 81 GLU HA H 4.4200 . . 778 . 81 GLU HB2 H 2.1800 . . 779 . 81 GLU HB3 H 2.1300 . . 780 . 81 GLU HG2 H 2.3700 . . 781 . 81 GLU HG3 H 2.3700 . . 782 . 81 GLU CA C 53.6900 . . 783 . 81 GLU CB C 27.6090 . . 784 . 81 GLU CG C 32.1200 . . 785 . 81 GLU N N 117.2700 . . 786 . 82 GLY H H 7.8760 . . 787 . 82 GLY HA2 H 4.2800 . . 788 . 82 GLY HA3 H 3.5500 . . 789 . 82 GLY CA C 43.2920 . . 790 . 82 GLY N N 106.9870 . . 791 . 83 LYS H H 7.9350 . . 792 . 83 LYS HA H 4.5100 . . 793 . 83 LYS HB2 H 2.0800 . . 794 . 83 LYS HB3 H 2.0600 . . 795 . 83 LYS HG2 H 1.4100 . . 796 . 83 LYS HG3 H 1.2900 . . 797 . 83 LYS HD2 H 1.6400 . . 798 . 83 LYS HE2 H 2.9700 . . 799 . 83 LYS CA C 52.6870 . . 800 . 83 LYS CB C 28.2590 . . 801 . 83 LYS CG C 22.8100 . . 802 . 83 LYS CD C 27.5900 . . 803 . 83 LYS CE C 40.6300 . . 804 . 83 LYS N N 123.6230 . . 805 . 84 VAL H H 7.6030 . . 806 . 84 VAL HA H 3.2400 . . 807 . 84 VAL HB H 2.0200 . . 808 . 84 VAL HG1 H 0.8400 . . 809 . 84 VAL HG2 H 0.7500 . . 810 . 84 VAL CA C 65.4800 . . 811 . 84 VAL CB C 29.5510 . . 812 . 84 VAL CG1 C 18.8300 . . 813 . 84 VAL CG2 C 17.6200 . . 814 . 84 VAL N N 121.9290 . . 815 . 85 LYS H H 8.5520 . . 816 . 85 LYS HA H 4.3700 . . 817 . 85 LYS HB2 H 1.8700 . . 818 . 85 LYS HB3 H 1.8700 . . 819 . 85 LYS HG2 H 1.5100 . . 820 . 85 LYS HD2 H 1.7400 . . 821 . 85 LYS HE2 H 3.0400 . . 822 . 85 LYS CA C 57.0240 . . 823 . 85 LYS CB C 29.0540 . . 824 . 85 LYS CG C 22.6100 . . 825 . 85 LYS CD C 27.3900 . . 826 . 85 LYS CE C 40.2800 . . 827 . 85 LYS N N 119.6430 . . 828 . 86 GLU H H 9.3770 . . 829 . 86 GLU HA H 4.0500 . . 830 . 86 GLU HB2 H 2.1200 . . 831 . 86 GLU HB3 H 2.0200 . . 832 . 86 GLU HG2 H 2.5400 . . 833 . 86 GLU HG3 H 2.3300 . . 834 . 86 GLU CA C 58.3210 . . 835 . 86 GLU CB C 26.3840 . . 836 . 86 GLU CG C 34.5900 . . 837 . 86 GLU N N 121.3480 . . 838 . 87 ALA H H 8.4580 . . 839 . 87 ALA HA H 4.0500 . . 840 . 87 ALA HB H 1.4300 . . 841 . 87 ALA CA C 53.1930 . . 842 . 87 ALA CB C 15.8290 . . 843 . 87 ALA N N 124.1170 . . 844 . 88 GLN H H 8.6560 . . 845 . 88 GLN HA H 3.7800 . . 846 . 88 GLN HB2 H 2.1100 . . 847 . 88 GLN HB3 H 1.9600 . . 848 . 88 GLN HG2 H 2.5200 . . 849 . 88 GLN HG3 H 2.1900 . . 850 . 88 GLN HE21 H 7.9850 . . 851 . 88 GLN HE22 H 6.0980 . . 852 . 88 GLN CA C 57.3820 . . 853 . 88 GLN CB C 26.4520 . . 854 . 88 GLN CG C 33.0200 . . 855 . 88 GLN N N 116.6250 . . 856 . 88 GLN NE2 N 113.4230 . . 857 . 89 ALA H H 8.1590 . . 858 . 89 ALA HA H 4.2200 . . 859 . 89 ALA HB H 1.5600 . . 860 . 89 ALA CA C 52.6150 . . 861 . 89 ALA CB C 15.3230 . . 862 . 89 ALA N N 123.2910 . . 863 . 90 ALA H H 8.0590 . . 864 . 90 ALA HA H 4.2100 . . 865 . 90 ALA HB H 1.5300 . . 866 . 90 ALA CA C 52.5400 . . 867 . 90 ALA CB C 15.1050 . . 868 . 90 ALA N N 121.9240 . . 869 . 91 ALA H H 8.3230 . . 870 . 91 ALA HA H 4.0100 . . 871 . 91 ALA HB H 1.5500 . . 872 . 91 ALA CA C 52.1090 . . 873 . 91 ALA CB C 15.5390 . . 874 . 91 ALA N N 120.7060 . . 875 . 92 GLU H H 7.7160 . . 876 . 92 GLU HA H 4.0980 . . 877 . 92 GLU HB2 H 2.1700 . . 878 . 92 GLU HG2 H 2.3700 . . 879 . 92 GLU CA C 56.8790 . . 880 . 92 GLU CB C 26.5970 . . 881 . 92 GLU CG C 33.0300 . . 882 . 92 GLU N N 117.5750 . . 883 . 93 GLN H H 7.3960 . . 884 . 93 GLN HA H 4.2400 . . 885 . 93 GLN HB2 H 2.2500 . . 886 . 93 GLN HB3 H 1.9800 . . 887 . 93 GLN HG2 H 2.4500 . . 888 . 93 GLN HE21 H 7.6810 . . 889 . 93 GLN HE22 H 6.4630 . . 890 . 93 GLN CA C 56.0120 . . 891 . 93 GLN CB C 26.1630 . . 892 . 93 GLN CG C 31.6700 . . 893 . 93 GLN N N 117.2520 . . 894 . 93 GLN NE2 N 111.7760 . . 895 . 94 LEU H H 7.6970 . . 896 . 94 LEU HA H 4.0700 . . 897 . 94 LEU HB2 H 2.0700 . . 898 . 94 LEU HB3 H 1.5900 . . 899 . 94 LEU HG H 1.9100 . . 900 . 94 LEU HD1 H 0.9400 . . 901 . 94 LEU HD2 H 0.9100 . . 902 . 94 LEU CA C 55.4300 . . 903 . 94 LEU CB C 39.3890 . . 904 . 94 LEU CG C 25.3300 . . 905 . 94 LEU CD1 C 21.4500 . . 906 . 94 LEU CD2 C 21.4500 . . 907 . 94 LEU N N 118.5710 . . 908 . 95 LYS H H 7.9690 . . 909 . 95 LYS HA H 3.7700 . . 910 . 95 LYS HB2 H 1.9500 . . 911 . 95 LYS HB3 H 1.9200 . . 912 . 95 LYS HG2 H 1.4800 . . 913 . 95 LYS HG3 H 1.3900 . . 914 . 95 LYS HD2 H 1.7600 . . 915 . 95 LYS HE2 H 2.9200 . . 916 . 95 LYS CA C 58.1090 . . 917 . 95 LYS CB C 30.4280 . . 918 . 95 LYS CG C 22.6100 . . 919 . 95 LYS CD C 27.8900 . . 920 . 95 LYS CE C 39.8300 . . 921 . 95 LYS N N 118.1530 . . 922 . 96 THR H H 7.5730 . . 923 . 96 THR HA H 3.8800 . . 924 . 96 THR HB H 4.2800 . . 925 . 96 THR HG2 H 0.9700 . . 926 . 96 THR CA C 63.9620 . . 927 . 96 THR CB C 66.2010 . . 928 . 96 THR CG2 C 19.4400 . . 929 . 97 THR H H 7.7170 . . 930 . 97 THR HA H 3.8700 . . 931 . 97 THR HB H 4.2700 . . 932 . 97 THR HG2 H 1.5500 . . 933 . 97 THR CA C 64.1060 . . 934 . 97 THR CB C 65.6980 . . 935 . 97 THR CG2 C 18.6500 . . 936 . 97 THR N N 120.3610 . . 937 . 98 ILE H H 8.4880 . . 938 . 98 ILE HA H 3.5100 . . 939 . 98 ILE HB H 1.8700 . . 940 . 98 ILE HG12 H 1.4200 . . 941 . 98 ILE HG2 H 1.0200 . . 942 . 98 ILE HD1 H 0.8600 . . 943 . 98 ILE CA C 64.2540 . . 944 . 98 ILE CB C 36.1370 . . 945 . 98 ILE CG1 C 28.5000 . . 946 . 98 ILE CG2 C 14.000 . . 947 . 98 ILE CD1 C 13.4030 . . 948 . 98 ILE N N 120.6690 . . 949 . 99 ARG H H 8.2610 . . 950 . 99 ARG HA H 3.9400 . . 951 . 99 ARG HB2 H 1.8780 . . 952 . 99 ARG HB3 H 1.8400 . . 953 . 99 ARG HG2 H 1.7200 . . 954 . 99 ARG HG3 H 1.6000 . . 955 . 99 ARG HD2 H 3.1400 . . 956 . 99 ARG HD3 H 3.1200 . . 957 . 99 ARG HE H 7.154 . . 958 . 99 ARG CA C 57.0630 . . 959 . 99 ARG CB C 27.3990 . . 960 . 99 ARG CG C 24.8700 . . 961 . 99 ARG CD C 41.3900 . . 962 . 99 ARG N N 118.0460 . . 963 . 100 ALA H H 7.7850 . . 964 . 100 ALA HA H 4.0400 . . 965 . 100 ALA HB H 1.4900 . . 966 . 100 ALA CA C 52.7640 . . 967 . 100 ALA CB C 15.8460 . . 968 . 100 ALA N N 120.4080 . . 969 . 101 TYR H H 8.2300 . . 970 . 101 TYR HA H 4.3400 . . 971 . 101 TYR HB2 H 3.3500 . . 972 . 101 TYR HB3 H 3.1600 . . 973 . 101 TYR HD1 H 7.0690 . . 974 . 101 TYR HD2 H 7.0690 . . 975 . 101 TYR HE1 H 6.6150 . . 976 . 101 TYR HE2 H 6.6150 . . 977 . 101 TYR CA C 58.8330 . . 978 . 101 TYR CB C 35.5660 . . 979 . 101 TYR N N 117.3530 . . 980 . 102 ASN H H 8.6720 . . 981 . 102 ASN HA H 3.4600 . . 982 . 102 ASN HB2 H 2.3100 . . 983 . 102 ASN HB3 H 1.6900 . . 984 . 102 ASN HD21 H 7.3220 . . 985 . 102 ASN HD22 H 6.7220 . . 986 . 102 ASN CA C 54.3660 . . 987 . 102 ASN CB C 36.9770 . . 988 . 102 ASN N N 120.3820 . . 989 . 102 ASN ND2 N 111.0690 . . 990 . 103 GLN H H 8.0540 . . 991 . 103 GLN HA H 3.9200 . . 992 . 103 GLN HB2 H 2.0700 . . 993 . 103 GLN HG2 H 2.4100 . . 994 . 103 GLN HG3 H 2.2900 . . 995 . 103 GLN HE21 H 7.5150 . . 996 . 103 GLN HE22 H 6.8680 . . 997 . 103 GLN CA C 56.2200 . . 998 . 103 GLN CB C 26.1250 . . 999 . 103 GLN CG C 31.6700 . . 1000 . 103 GLN N N 117.7920 . . 1001 . 103 GLN NE2 N 111.9820 . . 1002 . 104 LYS H H 7.4440 . . 1003 . 104 LYS HA H 3.8900 . . 1004 . 104 LYS HB2 H 1.4900 . . 1005 . 104 LYS HB3 H 1.1400 . . 1006 . 104 LYS HG2 H 1.0030 . . 1007 . 104 LYS HG3 H 0.4900 . . 1008 . 104 LYS HD2 H 1.3900 . . 1009 . 104 LYS HD3 H 1.3700 . . 1010 . 104 LYS HE2 H 2.7800 . . 1011 . 104 LYS CA C 56.8190 . . 1012 . 104 LYS CB C 31.6040 . . 1013 . 104 LYS CG C 22.1500 . . 1014 . 104 LYS CD C 27.5900 . . 1015 . 104 LYS CE C 39.8300 . . 1016 . 104 LYS N N 117.9750 . . 1017 . 105 TYR H H 8.1030 . . 1018 . 105 TYR HA H 4.8400 . . 1019 . 105 TYR HB2 H 3.4600 . . 1020 . 105 TYR HB3 H 3.1100 . . 1021 . 105 TYR HD1 H 7.6130 . . 1022 . 105 TYR HD2 H 7.6130 . . 1023 . 105 TYR HE1 H 6.9970 . . 1024 . 105 TYR HE2 H 6.9970 . . 1025 . 105 TYR CA C 56.5570 . . 1026 . 105 TYR CB C 37.7550 . . 1027 . 105 TYR N N 113.4990 . . 1028 . 106 GLY H H 7.7940 . . 1029 . 106 GLY HA2 H 3.9700 . . 1030 . 106 GLY HA3 H 3.8000 . . 1031 . 106 GLY CA C 43.4060 . . 1032 . 106 GLY N N 112.9800 . . stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name ? _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 ASP H 2 ASP HA 6.7 . . 0.5 2 3JHNHA 3 LEU H 4 LEU HA 2.7 . . 0.5 3 3JHNHA 4 GLU H 5 GLU HA 4.3 . . 0.5 4 3JHNHA 5 ASP H 6 ASP HA 5.7 . . 0.5 5 3JHNHA 6 ASN H 9 ASN HA 5.8 . . 0.5 6 3JHNHA 7 TRP H 10 TRP HA 2.9 . . 0.5 7 3JHNHA 8 GLU H 11 GLU HA 4.9 . . 0.5 8 3JHNHA 9 THR H 13 THR HA 3.5 . . 0.5 9 3JHNHA 10 LEU H 14 LEU HA 4.2 . . 0.5 10 3JHNHA 11 ASN H 15 ASN HA 4.4 . . 0.5 11 3JHNHA 12 ASP H 16 ASP HA 3.9 . . 0.5 12 3JHNHA 13 ASN H 17 ASN HA 5.7 . . 0.5 13 3JHNHA 14 LEU H 20 LEU HA 4.0 . . 0.5 14 3JHNHA 15 LYS H 21 LYS HA 4.8 . . 0.5 15 3JHNHA 16 VAL H 22 VAL HA 4.5 . . 0.5 16 3JHNHA 17 ILE H 24 ILE HA 3.8 . . 0.5 17 3JHNHA 18 GLU H 25 GLU HA 3.8 . . 0.5 18 3JHNHA 19 LYS H 27 LYS HA 9.5 . . 0.5 19 3JHNHA 20 ALA H 28 ALA HA 3.4 . . 0.5 20 3JHNHA 21 ASP H 30 ASP HA 10.0 . . 0.5 21 3JHNHA 22 ASN H 31 ASN HA 8.3 . . 0.5 22 3JHNHA 23 ALA H 34 ALA HA 3.0 . . 0.5 23 3JHNHA 24 ALA H 35 ALA HA 4.5 . . 0.5 24 3JHNHA 25 GLN H 36 GLN HA 4.9 . . 0.5 25 3JHNHA 26 VAL H 38 VAL HA 5.8 . . 0.5 26 3JHNHA 27 LYS H 39 LYS HA 3.1 . . 0.5 27 3JHNHA 28 ASP H 40 ASP HA 4.2 . . 0.5 28 3JHNHA 29 ALA H 41 ALA HA 4.5 . . 0.5 29 3JHNHA 30 LEU H 43 LEU HA 4.0 . . 0.5 30 3JHNHA 31 THR H 44 THR HA 4.2 . . 0.5 31 3JHNHA 32 LYS H 47 LYS HA 4.7 . . 0.5 32 3JHNHA 33 MET H 48 MET HA 4.1 . . 0.5 33 3JHNHA 34 ARG H 50 ARG HA 3.0 . . 0.5 34 3JHNHA 35 ALA H 51 ALA HA 4.6 . . 0.5 35 3JHNHA 36 ALA H 52 ALA HA 4.7 . . 0.5 36 3JHNHA 37 ALA H 54 ALA HA 3.8 . . 0.5 37 3JHNHA 38 LEU H 55 LEU HA 4.8 . . 0.5 38 3JHNHA 39 ASP H 57 ASP HA 6.1 . . 0.5 39 3JHNHA 40 ALA H 58 ALA HA 3.3 . . 0.5 40 3JHNHA 41 GLN H 59 GLN HA 3.1 . . 0.5 41 3JHNHA 42 LYS H 60 LYS HA 8.8 . . 0.5 42 3JHNHA 43 ALA H 61 ALA HA 6.8 . . 0.5 43 3JHNHA 44 THR H 62 THR HA 9.9 . . 0.5 44 3JHNHA 47 LYS H 63 LYS HA 5.7 . . 0.5 45 3JHNHA 48 LEU H 65 LEU HA 5.2 . . 0.5 46 3JHNHA 50 ASP H 67 ASP HA 9.0 . . 0.5 47 3JHNHA 51 LYS H 68 LYS HA 6.4 . . 0.5 48 3JHNHA 52 SER H 69 SER HA 4.7 . . 0.5 49 3JHNHA 54 ASP H 70 ASP HA 9.8 . . 0.5 50 3JHNHA 55 SER H 72 SER HA 4.3 . . 0.5 51 3JHNHA 58 MET H 74 MET HA 5.7 . . 0.5 52 3JHNHA 59 LYS H 75 LYS HA 3.2 . . 0.5 53 3JHNHA 60 ASP H 77 ASP HA 4.3 . . 0.5 54 3JHNHA 61 PHE H 78 PHE HA 3.3 . . 0.5 55 3JHNHA 62 ARG H 79 ARG HA 3.8 . . 0.5 56 3JHNHA 63 HIS H 81 HIS HA 3.6 . . 0.5 57 3JHNHA 64 GLY H 82 GLY HA 5.4 . . 0.5 58 3JHNHA 65 PHE H 83 PHE HA 6.9 . . 0.5 59 3JHNHA 66 ASP H 84 ASP HA 5.9 . . 0.5 60 3JHNHA 67 ILE H 85 ILE HA 4.3 . . 0.5 61 3JHNHA 68 LEU H 87 LEU HA 3.3 . . 0.5 62 3JHNHA 69 VAL H 90 VAL HA 4.0 . . 0.5 63 3JHNHA 70 GLY H 91 GLY HA 5.9 . . 0.5 64 3JHNHA 71 GLN H 92 GLN HA 5.6 . . 0.5 65 3JHNHA 72 ILE H 94 ILE HA 4.9 . . 0.5 66 3JHNHA 73 ASP H 95 ASP HA 3.5 . . 0.5 67 3JHNHA 74 ASP H 96 ASP HA 4.7 . . 0.5 68 3JHNHA 75 ALA H 96 ALA HA 5.8 . . 0.5 69 3JHNHA 76 LEU H 97 LEU HA 4.0 . . 0.5 70 3JHNHA 77 LYS H 98 LYS HA 4.6 . . 0.5 71 3JHNHA 78 LEU H 99 LEU HA 5.0 . . 0.5 72 3JHNHA 79 ALA H 101 ALA HA 4.1 . . 0.5 73 3JHNHA 80 ASN H 102 ASN HA 5.0 . . 0.5 74 3JHNHA 81 GLU H 104 GLU HA 8.7 . . 0.5 75 3JHNHA 82 GLY H 105 GLY HA 6.6 . . 0.5 76 3JHNHA 83 LYS H 105 LYS HA 9.0 . . 0.5 77 3JHNHA 84 VAL H 105 VAL HA 4.0 . . 0.5 78 3JHNHA 85 LYS H 105 LYS HA 5.2 . . 0.5 79 3JHNHA 86 GLU H 105 GLU HA 4.5 . . 0.5 80 3JHNHA 87 ALA H 105 ALA HA 5.1 . . 0.5 81 3JHNHA 88 GLN H 105 GLN HA 4.8 . . 0.5 82 3JHNHA 89 ALA H 105 ALA HA 4.6 . . 0.5 83 3JHNHA 90 ALA H 105 ALA HA 5.0 . . 0.5 84 3JHNHA 91 ALA H 105 ALA HA 4.3 . . 0.5 85 3JHNHA 92 GLU H 105 GLU HA 4.7 . . 0.5 86 3JHNHA 93 GLN H 105 GLN HA 6.8 . . 0.5 87 3JHNHA 94 LEU H 105 LEU HA 4.6 . . 0.5 88 3JHNHA 95 LYS H 105 LYS HA 3.3 . . 0.5 89 3JHNHA 96 THR H 105 THR HA 4.7 . . 0.5 90 3JHNHA 97 THR H 105 THR HA 3.0 . . 0.5 91 3JHNHA 98 ILE H 105 ILE HA 3.1 . . 0.5 92 3JHNHA 99 ARG H 105 ARG HA 4.0 . . 0.5 93 3JHNHA 100 ALA H 105 ALA HA 4.1 . . 0.5 94 3JHNHA 101 TYR H 105 TYR HA 5.8 . . 0.5 95 3JHNHA 102 ASN H 105 ASN HA 4.3 . . 0.5 96 3JHNHA 103 GLN H 105 GLN HA 5.4 . . 0.5 97 3JHNHA 104 LYS H 105 LYS HA 5.6 . . 0.5 98 3JHNHA 105 TYR H 105 TYR HA 9.8 . . 0.5 99 3JHNHA 106 GLY H 105 GLY HA 6.5 . . 0.5 stop_ save_