data_15868 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignment of guanidine-denatured GED of dynamin ; _BMRB_accession_number 15868 _BMRB_flat_file_name bmr15868.str _Entry_type original _Submission_date 2008-07-08 _Accession_date 2008-07-08 _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 Chugh Jeetender . . 2 Sharma Shilpy . . 3 Hosur 'Ramakrishna V' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 497 "13C chemical shifts" 380 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-11 update BMRB 'correct residue numbers in data table' 2008-07-24 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15867 'Urea-denatured GED' stop_ save_ ############################# # Citation for this entry # ############################# save_Guanidine-denatured_GED _Saveframe_category entry_citation _Citation_full . _Citation_title 'Pockets of short-range transient order and restricted topological heterogeneity in the guanidine-denatured state ensemble of GED of dynamin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17910478 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chugh Jeetender . . 2 Sharma Shilpy . . 3 Hosur 'Ramakrishna V' . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 42 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11819 _Page_last 11832 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GED monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GED $GED stop_ _System_molecular_weight . _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GED _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GED _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; GSASFLRAGVYPERVGDKEK ASETEENGSDSFMHSMDPQL ERQVETIRNLVDSYMAIVNK TVRDLMPKTIMHLMINNTKE FIFSELLANLYSCGDQNTLM EESAEQAQRRDEMLRMYHAL KEALSIIGNINTTTVSTP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ALA 4 SER 5 PHE 6 LEU 7 ARG 8 ALA 9 GLY 10 VAL 11 TYR 12 PRO 13 GLU 14 ARG 15 VAL 16 GLY 17 ASP 18 LYS 19 GLU 20 LYS 21 ALA 22 SER 23 GLU 24 THR 25 GLU 26 GLU 27 ASN 28 GLY 29 SER 30 ASP 31 SER 32 PHE 33 MET 34 HIS 35 SER 36 MET 37 ASP 38 PRO 39 GLN 40 LEU 41 GLU 42 ARG 43 GLN 44 VAL 45 GLU 46 THR 47 ILE 48 ARG 49 ASN 50 LEU 51 VAL 52 ASP 53 SER 54 TYR 55 MET 56 ALA 57 ILE 58 VAL 59 ASN 60 LYS 61 THR 62 VAL 63 ARG 64 ASP 65 LEU 66 MET 67 PRO 68 LYS 69 THR 70 ILE 71 MET 72 HIS 73 LEU 74 MET 75 ILE 76 ASN 77 ASN 78 THR 79 LYS 80 GLU 81 PHE 82 ILE 83 PHE 84 SER 85 GLU 86 LEU 87 LEU 88 ALA 89 ASN 90 LEU 91 TYR 92 SER 93 CYS 94 GLY 95 ASP 96 GLN 97 ASN 98 THR 99 LEU 100 MET 101 GLU 102 GLU 103 SER 104 ALA 105 GLU 106 GLN 107 ALA 108 GLN 109 ARG 110 ARG 111 ASP 112 GLU 113 MET 114 LEU 115 ARG 116 MET 117 TYR 118 HIS 119 ALA 120 LEU 121 LYS 122 GLU 123 ALA 124 LEU 125 SER 126 ILE 127 ILE 128 GLY 129 ASN 130 ILE 131 ASN 132 THR 133 THR 134 THR 135 VAL 136 SER 137 THR 138 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15867 GED 100.00 138 100.00 100.00 5.62e-97 BMRB 16948 GTPase_Effector_Domain_(GED) 100.00 138 100.00 100.00 5.62e-97 PDB 3SNH "Crystal Structure Of Nucleotide-free Human Dynamin1" 93.48 743 99.22 100.00 6.68e-82 PDB 3ZVR "Crystal Structure Of Dynamin" 97.83 772 99.26 100.00 1.21e-85 PDB 4UUD "Human Dynamin 1 K44a Superconstricted Polymer Stabilized With Gtp" 98.55 864 99.26 100.00 2.13e-86 PDB 4UUK "Human Dynamin 1 K44a Superconstricted Polymer Stabilized With Gtp Strand 2" 98.55 864 99.26 100.00 2.13e-86 DBJ BAD90284 "mKIAA4093 protein [Mus musculus]" 98.55 871 99.26 100.00 1.60e-86 DBJ BAE25726 "unnamed protein product [Mus musculus]" 98.55 864 99.26 100.00 2.22e-86 DBJ BAG53342 "unnamed protein product [Homo sapiens]" 98.55 396 98.53 99.26 1.92e-90 DBJ BAG58137 "unnamed protein product [Homo sapiens]" 98.55 790 99.26 100.00 7.97e-87 DBJ BAG59018 "unnamed protein product [Homo sapiens]" 98.55 851 99.26 100.00 1.72e-86 EMBL CAA38397 "D100 [Rattus norvegicus]" 98.55 851 99.26 100.00 1.86e-86 GB AAA02803 "dynamin [Homo sapiens]" 98.55 864 100.00 100.00 3.79e-87 GB AAA37318 "dynamin, partial [Mus musculus domesticus]" 91.30 743 100.00 100.00 3.03e-80 GB AAA37319 "dynamin, partial [Mus musculus domesticus]" 95.65 243 98.48 99.24 6.64e-92 GB AAA37323 "dynamin, partial [Mus musculus]" 98.55 612 98.53 99.26 1.31e-87 GB AAA37324 "dynamin [Mus musculus]" 98.55 861 98.53 99.26 1.59e-85 PIR B40671 "dynamin, internal form 2, short C-terminal form - human" 98.55 851 100.00 100.00 4.82e-87 PRF 1614348A "dynamin 1 D100 protein" 98.55 851 99.26 100.00 1.86e-86 REF NP_001005336 "dynamin-1 isoform 2 [Homo sapiens]" 98.55 851 99.26 100.00 2.30e-86 REF NP_001070288 "dynamin-1 [Bos taurus]" 98.55 856 99.26 100.00 1.40e-86 REF NP_001124521 "dynamin-1 [Canis lupus familiaris]" 98.55 864 99.26 100.00 1.86e-86 REF NP_001275666 "dynamin-1 isoform 3 [Homo sapiens]" 98.55 851 99.26 100.00 1.48e-86 REF NP_001275667 "dynamin-1 isoform 3 [Homo sapiens]" 98.55 851 99.26 100.00 1.48e-86 SP P21575 "RecName: Full=Dynamin-1; AltName: Full=B-dynamin; AltName: Full=D100; AltName: Full=Dynamin, brain" 98.55 864 99.26 100.00 1.76e-86 SP P39053 "RecName: Full=Dynamin-1" 98.55 867 99.26 100.00 2.46e-86 SP Q05193 "RecName: Full=Dynamin-1" 98.55 864 99.26 100.00 2.13e-86 SP Q08DF4 "RecName: Full=Dynamin-1" 98.55 856 99.26 100.00 1.40e-86 TPG DAA24145 "TPA: dynamin-1 [Bos taurus]" 98.55 856 99.26 100.00 1.40e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GED Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $GED 'recombinant technology' . Escherichia coli . pGEX4T1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_GED _Saveframe_category sample _Sample_type solution _Details '6 M guanidine-denatured GED and is maintained at pH 5 and 15 degree celcius' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GED 1 mM '[U-100% 15N]' DTT 1 mM 'natural abundance' 'sodium acetate' 10 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' guanidine 6 M 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_15N_13C_GED _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GED 1 mM '[U-100% 13C; U-100% 15N]' DTT 1 mM 'natural abundance' 'sodium acetate' 10 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' guanidine 6 M 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_GED save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N_13C_GED save_ save_3D_CBCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $15N_13C_GED save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N_13C_GED save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $15N_13C_GED save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_GED save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15N_GED save_ save_3D_HNN_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $15N_13C_GED save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 5.0 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D CBCANH' '3D HNCO' '3D HN(CA)CO' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNN' stop_ loop_ _Sample_label $15N_GED $15N_13C_GED stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GED _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 3 3 ALA H H 8.53 0.02 1 2 3 3 ALA HA H 4.40 0.02 1 3 3 3 ALA HB H 1.41 0.02 1 4 3 3 ALA C C 177.6 0.3 1 5 3 3 ALA CA C 52.3 0.3 1 6 3 3 ALA CB C 20.2 0.3 1 7 3 3 ALA N N 126.4 0.3 1 8 4 4 SER H H 8.25 0.02 1 9 4 4 SER HA H 4.44 0.02 1 10 4 4 SER HB2 H 3.86 0.02 1 11 4 4 SER C C 174.2 0.3 1 12 4 4 SER CA C 58.0 0.3 1 13 4 4 SER CB C 65.0 0.3 1 14 4 4 SER N N 115.5 0.3 1 15 5 5 PHE H H 8.19 0.02 1 16 5 5 PHE HA H 4.69 0.02 1 17 5 5 PHE HB2 H 3.09 0.02 1 18 5 5 PHE HB3 H 3.19 0.02 2 19 5 5 PHE HZ H 7.30 0.02 1 20 5 5 PHE C C 175.4 0.3 1 21 5 5 PHE CA C 57.4 0.3 1 22 5 5 PHE CB C 40.1 0.3 1 23 5 5 PHE N N 122.4 0.3 1 24 6 6 LEU H H 8.16 0.02 1 25 6 6 LEU HA H 4.37 0.02 1 26 6 6 LEU HB2 H 1.59 0.02 1 27 6 6 LEU HD2 H 0.93 0.02 1 28 6 6 LEU C C 177.0 0.3 1 29 6 6 LEU CA C 54.8 0.3 1 30 6 6 LEU CB C 43.0 0.3 1 31 6 6 LEU N N 123.8 0.3 1 32 7 7 ARG H H 8.30 0.02 1 33 7 7 ARG HA H 4.35 0.02 1 34 7 7 ARG HB2 H 1.72 0.02 1 35 7 7 ARG HB3 H 1.88 0.02 2 36 7 7 ARG HD2 H 3.27 0.02 1 37 7 7 ARG C C 175.8 0.3 1 38 7 7 ARG CA C 55.9 0.3 1 39 7 7 ARG CB C 31.1 0.3 1 40 7 7 ARG N N 122.8 0.3 1 41 8 8 ALA H H 8.37 0.02 1 42 8 8 ALA HA H 4.35 0.02 1 43 8 8 ALA HB H 1.45 0.02 1 44 8 8 ALA C C 178.0 0.3 1 45 8 8 ALA CA C 52.5 0.3 1 46 8 8 ALA CB C 19.8 0.3 1 47 8 8 ALA N N 125.4 0.3 1 48 9 9 GLY H H 8.39 0.02 1 49 9 9 GLY HA2 H 3.99 0.02 1 50 9 9 GLY C C 173.4 0.3 1 51 9 9 GLY CA C 44.9 0.3 1 52 9 9 GLY N N 108.9 0.3 1 53 10 10 VAL H H 7.83 0.02 1 54 10 10 VAL HA H 4.11 0.02 1 55 10 10 VAL HB H 1.99 0.02 1 56 10 10 VAL HG2 H 0.83 0.02 1 57 10 10 VAL C C 175.4 0.3 1 58 10 10 VAL CA C 61.8 0.3 1 59 10 10 VAL CB C 33.5 0.3 1 60 10 10 VAL N N 119.4 0.3 1 61 11 11 TYR H H 8.33 0.02 1 62 11 11 TYR HA H 4.88 0.02 1 63 11 11 TYR HB2 H 2.88 0.02 1 64 11 11 TYR HB3 H 3.12 0.02 2 65 11 11 TYR HH H 7.21 0.02 1 66 11 11 TYR C C 173.8 0.3 1 67 11 11 TYR CA C 55.4 0.3 1 68 11 11 TYR CB C 39.0 0.3 1 69 11 11 TYR N N 124.3 0.3 1 70 13 13 GLU H H 8.58 0.02 1 71 13 13 GLU HA H 4.33 0.02 1 72 13 13 GLU HB2 H 2.03 0.02 1 73 13 13 GLU HG2 H 2.37 0.02 1 74 13 13 GLU C C 176.4 0.3 1 75 13 13 GLU CA C 56.3 0.3 1 76 13 13 GLU CB C 29.5 0.3 1 77 13 13 GLU N N 121.9 0.3 1 78 14 14 ARG H H 8.45 0.02 1 79 14 14 ARG HA H 4.51 0.02 1 80 14 14 ARG HB3 H 1.88 0.02 1 81 14 14 ARG HD2 H 3.25 0.02 1 82 14 14 ARG HG2 H 1.68 0.02 1 83 14 14 ARG C C 176.2 0.3 1 84 14 14 ARG CA C 55.7 0.3 1 85 14 14 ARG CB C 30.8 0.3 1 86 14 14 ARG N N 122.9 0.3 1 87 15 15 VAL H H 8.28 0.02 1 88 15 15 VAL HA H 4.15 0.02 1 89 15 15 VAL HB H 2.13 0.02 1 90 15 15 VAL HG2 H 0.99 0.02 1 91 15 15 VAL C C 176.5 0.3 1 92 15 15 VAL CA C 62.2 0.3 1 93 15 15 VAL CB C 33.5 0.3 1 94 15 15 VAL N N 122.2 0.3 1 95 16 16 GLY H H 8.53 0.02 1 96 16 16 GLY HA2 H 4.05 0.02 1 97 16 16 GLY C C 173.7 0.3 1 98 16 16 GLY CA C 45.0 0.3 1 99 16 16 GLY N N 112.9 0.3 1 100 17 17 ASP H H 8.33 0.02 1 101 17 17 ASP HA H 4.67 0.02 1 102 17 17 ASP HB2 H 2.73 0.02 1 103 17 17 ASP C C 176.3 0.3 1 104 17 17 ASP CA C 54.2 0.3 1 105 17 17 ASP CB C 42.5 0.3 1 106 17 17 ASP N N 121.2 0.3 1 107 18 18 LYS H H 8.36 0.02 1 108 18 18 LYS HA H 4.33 0.02 1 109 18 18 LYS HB2 H 1.77 0.02 1 110 18 18 LYS HB3 H 1.85 0.02 2 111 18 18 LYS HG2 H 1.49 0.02 1 112 18 18 LYS C C 176.6 0.3 1 113 18 18 LYS CA C 56.3 0.3 1 114 18 18 LYS CB C 33.7 0.3 1 115 18 18 LYS N N 121.5 0.3 1 116 19 19 GLU H H 8.45 0.02 1 117 19 19 GLU HA H 4.32 0.02 1 118 19 19 GLU HB2 H 2.02 0.02 1 119 19 19 GLU HG2 H 2.33 0.02 1 120 19 19 GLU C C 176.4 0.3 1 121 19 19 GLU CA C 56.3 0.3 1 122 19 19 GLU CB C 30.8 0.3 1 123 19 19 GLU N N 122.4 0.3 1 124 20 20 LYS H H 8.38 0.02 1 125 20 20 LYS HA H 4.35 0.02 1 126 20 20 LYS HB2 H 1.79 0.02 1 127 20 20 LYS HB3 H 1.86 0.02 2 128 20 20 LYS HG2 H 1.51 0.02 1 129 20 20 LYS C C 176.4 0.3 1 130 20 20 LYS CA C 56.1 0.3 1 131 20 20 LYS CB C 33.7 0.3 1 132 20 20 LYS N N 123.1 0.3 1 133 21 21 ALA H H 8.47 0.02 1 134 21 21 ALA HA H 4.38 0.02 1 135 21 21 ALA HB H 1.46 0.02 1 136 21 21 ALA C C 177.7 0.3 1 137 21 21 ALA CA C 52.5 0.3 1 138 21 21 ALA CB C 19.8 0.3 1 139 21 21 ALA N N 126.1 0.3 1 140 22 22 SER H H 8.37 0.02 1 141 22 22 SER HA H 4.49 0.02 1 142 22 22 SER HB2 H 3.96 0.02 1 143 22 22 SER C C 174.7 0.3 1 144 22 22 SER CA C 58.2 0.3 1 145 22 22 SER CB C 64.2 0.3 1 146 22 22 SER N N 115.7 0.3 1 147 23 23 GLU H H 8.56 0.02 1 148 23 23 GLU HA H 4.42 0.02 1 149 23 23 GLU HB2 H 2.03 0.02 1 150 23 23 GLU HB3 H 2.12 0.02 2 151 23 23 GLU HG2 H 2.36 0.02 1 152 23 23 GLU C C 176.6 0.3 1 153 23 23 GLU CA C 56.4 0.3 1 154 23 23 GLU CB C 30.7 0.3 1 155 23 23 GLU N N 123.2 0.3 1 156 24 24 THR H H 8.16 0.02 1 157 24 24 THR HA H 4.42 0.02 1 158 24 24 THR HB H 4.29 0.02 1 159 24 24 THR C C 174.6 0.3 1 160 24 24 THR CA C 61.5 0.3 1 161 24 24 THR CB C 70.9 0.3 1 162 24 24 THR N N 114.1 0.3 1 163 25 25 GLU H H 8.44 0.02 1 164 25 25 GLU HA H 4.37 0.02 1 165 25 25 GLU HB2 H 1.99 0.02 1 166 25 25 GLU HB3 H 2.07 0.02 2 167 25 25 GLU HG2 H 2.33 0.02 1 168 25 25 GLU C C 176.4 0.3 1 169 25 25 GLU CA C 55.9 0.3 1 170 25 25 GLU CB C 30.8 0.3 1 171 25 25 GLU N N 123.3 0.3 1 172 26 26 GLU H H 8.51 0.02 1 173 26 26 GLU HA H 4.34 0.02 1 174 26 26 GLU HB2 H 2.00 0.02 1 175 26 26 GLU HB3 H 2.07 0.02 2 176 26 26 GLU HG2 H 2.32 0.02 1 177 26 26 GLU C C 176.2 0.3 1 178 26 26 GLU CA C 56.2 0.3 1 179 26 26 GLU CB C 30.8 0.3 1 180 26 26 GLU N N 122.2 0.3 1 181 27 27 ASN H H 8.54 0.02 1 182 27 27 ASN HA H 4.80 0.02 1 183 27 27 ASN HB2 H 2.87 0.02 1 184 27 27 ASN C C 175.6 0.3 1 185 27 27 ASN CA C 52.9 0.3 1 186 27 27 ASN CB C 39.8 0.3 1 187 27 27 ASN N N 120.2 0.3 1 188 28 28 GLY H H 8.46 0.02 1 189 28 28 GLY HA2 H 4.07 0.02 1 190 28 28 GLY C C 174.2 0.3 1 191 28 28 GLY CA C 45.2 0.3 1 192 28 28 GLY N N 109.9 0.3 1 193 29 29 SER H H 8.32 0.02 1 194 29 29 SER HA H 4.49 0.02 1 195 29 29 SER HB2 H 3.95 0.02 1 196 29 29 SER C C 174.3 0.3 1 197 29 29 SER CA C 58.3 0.3 1 198 29 29 SER CB C 64.0 0.3 1 199 29 29 SER N N 116.1 0.3 1 200 30 30 ASP H H 8.55 0.02 1 201 30 30 ASP HA H 4.44 0.02 1 202 30 30 ASP HB2 H 2.72 0.02 1 203 30 30 ASP C C 176.2 0.3 1 204 30 30 ASP CA C 54.1 0.3 1 205 30 30 ASP CB C 41.8 0.3 1 206 30 30 ASP N N 122.8 0.3 1 207 31 31 SER H H 8.22 0.02 1 208 31 31 SER HA H 4.42 0.02 1 209 31 31 SER HB2 H 3.85 0.02 1 210 31 31 SER C C 174.3 0.3 1 211 31 31 SER CA C 58.3 0.3 1 212 31 31 SER CB C 64.2 0.3 1 213 31 31 SER N N 116.0 0.3 1 214 32 32 PHE H H 8.27 0.02 1 215 32 32 PHE HA H 4.67 0.02 1 216 32 32 PHE HB2 H 3.09 0.02 1 217 32 32 PHE HB3 H 3.17 0.02 2 218 32 32 PHE HZ H 7.29 0.02 1 219 32 32 PHE C C 175.8 0.3 1 220 32 32 PHE CA C 57.7 0.3 1 221 32 32 PHE CB C 40.2 0.3 1 222 32 32 PHE N N 122.2 0.3 1 223 33 33 MET H H 8.27 0.02 1 224 33 33 MET HA H 4.42 0.02 1 225 33 33 MET HB2 H 1.99 0.02 1 226 33 33 MET HG2 H 2.49 0.02 1 227 33 33 MET C C 175.9 0.3 1 228 33 33 MET CA C 55.4 0.3 1 229 33 33 MET CB C 33.5 0.3 1 230 33 33 MET N N 121.5 0.3 1 231 34 34 HIS H H 8.40 0.02 1 232 34 34 HIS HA H 4.71 0.02 1 233 34 34 HIS HB2 H 3.23 0.02 1 234 34 34 HIS HB3 H 3.33 0.02 2 235 34 34 HIS C C 174.6 0.3 1 236 34 34 HIS CA C 55.2 0.3 1 237 34 34 HIS CB C 30.1 0.3 1 238 34 34 HIS N N 120.0 0.3 1 239 35 35 SER H H 8.38 0.02 1 240 35 35 SER HA H 4.51 0.02 1 241 35 35 SER HB2 H 3.93 0.02 1 242 35 35 SER C C 174.4 0.3 1 243 35 35 SER CA C 58.2 0.3 1 244 35 35 SER CB C 64.7 0.3 1 245 35 35 SER N N 117.4 0.3 1 246 36 36 MET H H 8.52 0.02 1 247 36 36 MET HA H 4.57 0.02 1 248 36 36 MET HB2 H 2.06 0.02 1 249 36 36 MET HG2 H 2.60 0.02 1 250 36 36 MET C C 175.6 0.3 1 251 36 36 MET CA C 55.0 0.3 1 252 36 36 MET CB C 33.7 0.3 1 253 36 36 MET N N 122.6 0.3 1 254 37 37 ASP H H 8.41 0.02 1 255 37 37 ASP HA H 4.84 0.02 1 256 37 37 ASP HB2 H 2.60 0.02 1 257 37 37 ASP HB3 H 2.80 0.02 2 258 37 37 ASP CA C 52.2 0.3 1 259 37 37 ASP CB C 39.8 0.3 1 260 37 37 ASP N N 123.1 0.3 1 261 39 39 GLN H H 8.58 0.02 1 262 39 39 GLN HA H 4.30 0.02 1 263 39 39 GLN HB3 H 2.06 0.02 1 264 39 39 GLN HG2 H 2.44 0.02 1 265 39 39 GLN C C 176.0 0.3 1 266 39 39 GLN CA C 55.8 0.3 1 267 39 39 GLN CB C 30.6 0.3 1 268 39 39 GLN N N 120.2 0.3 1 269 40 40 LEU H H 8.14 0.02 1 270 40 40 LEU HA H 4.36 0.02 1 271 40 40 LEU HB2 H 1.67 0.02 1 272 40 40 LEU HD2 H 0.95 0.02 1 273 40 40 LEU HG H 1.64 0.02 1 274 40 40 LEU C C 177.3 0.3 1 275 40 40 LEU CA C 55.2 0.3 1 276 40 40 LEU CB C 43.1 0.3 1 277 40 40 LEU N N 123.0 0.3 1 278 41 41 GLU H H 8.39 0.02 1 279 41 41 GLU HA H 4.33 0.02 1 280 41 41 GLU HB2 H 2.02 0.02 1 281 41 41 GLU HB3 H 2.34 0.02 2 282 41 41 GLU C C 176.3 0.3 1 283 41 41 GLU CA C 56.1 0.3 1 284 41 41 GLU CB C 30.8 0.3 1 285 41 41 GLU N N 122.0 0.3 1 286 42 42 ARG H H 8.39 0.02 1 287 42 42 ARG HA H 4.39 0.02 1 288 42 42 ARG HB3 H 1.87 0.02 1 289 42 42 ARG HD2 H 3.25 0.02 1 290 42 42 ARG HG2 H 1.69 0.02 1 291 42 42 ARG C C 176.2 0.3 1 292 42 42 ARG CA C 56.1 0.3 1 293 42 42 ARG N N 122.5 0.3 1 294 43 43 GLN H H 8.55 0.02 1 295 43 43 GLN HA H 4.44 0.02 1 296 43 43 GLN HB3 H 2.07 0.02 1 297 43 43 GLN HG2 H 2.43 0.02 1 298 43 43 GLN CA C 55.6 0.3 1 299 43 43 GLN CB C 30.7 0.3 1 300 43 43 GLN N N 122.8 0.3 1 301 44 44 VAL H H 8.22 0.02 1 302 44 44 VAL HA H 4.19 0.02 1 303 44 44 VAL HB H 2.14 0.02 1 304 44 44 VAL HG2 H 0.97 0.02 1 305 44 44 VAL C C 176.0 0.3 1 306 44 44 VAL CA C 61.9 0.3 1 307 44 44 VAL CB C 33.7 0.3 1 308 44 44 VAL N N 121.5 0.3 1 309 45 45 GLU H H 8.58 0.02 1 310 45 45 GLU HA H 4.44 0.02 1 311 45 45 GLU HB2 H 2.02 0.02 1 312 45 45 GLU HG2 H 2.33 0.02 1 313 45 45 GLU C C 176.4 0.3 1 314 45 45 GLU CA C 56.1 0.3 1 315 45 45 GLU CB C 30.7 0.3 1 316 45 45 GLU N N 124.9 0.3 1 317 46 46 THR H H 8.26 0.02 1 318 46 46 THR HA H 4.47 0.02 1 319 46 46 THR HB H 4.30 0.02 1 320 46 46 THR HG2 H 1.26 0.02 1 321 46 46 THR C C 174.3 0.3 1 322 46 46 THR CA C 61.4 0.3 1 323 46 46 THR CB C 70.9 0.3 1 324 46 46 THR N N 116.5 0.3 1 325 47 47 ILE H H 8.28 0.02 1 326 47 47 ILE HA H 4.23 0.02 1 327 47 47 ILE HB H 1.91 0.02 1 328 47 47 ILE HG13 H 0.93 0.02 1 329 47 47 ILE C C 176.0 0.3 1 330 47 47 ILE CA C 60.9 0.3 1 331 47 47 ILE CB C 39.3 0.3 1 332 47 47 ILE N N 124.1 0.3 1 333 48 48 ARG H H 8.43 0.02 1 334 48 48 ARG HA H 4.38 0.02 1 335 48 48 ARG HB3 H 1.84 0.02 1 336 48 48 ARG HD2 H 3.24 0.02 1 337 48 48 ARG HG2 H 1.67 0.02 1 338 48 48 ARG C C 175.8 0.3 1 339 48 48 ARG CA C 56.0 0.3 1 340 48 48 ARG CB C 31.8 0.3 1 341 48 48 ARG N N 125.4 0.3 1 342 49 49 ASN H H 8.48 0.02 1 343 49 49 ASN HA H 4.81 0.02 1 344 49 49 ASN HB2 H 2.86 0.02 1 345 49 49 ASN C C 174.9 0.3 1 346 49 49 ASN CA C 52.9 0.3 1 347 49 49 ASN CB C 39.7 0.3 1 348 49 49 ASN N N 120.4 0.3 1 349 50 50 LEU H H 8.32 0.02 1 350 50 50 LEU HA H 4.41 0.02 1 351 50 50 LEU HB2 H 1.66 0.02 1 352 50 50 LEU HD2 H 0.91 0.02 1 353 50 50 LEU HG H 1.63 0.02 1 354 50 50 LEU C C 177.4 0.3 1 355 50 50 LEU CA C 55.1 0.3 1 356 50 50 LEU CB C 42.9 0.3 1 357 50 50 LEU N N 123.4 0.3 1 358 51 51 VAL H H 8.13 0.02 1 359 51 51 VAL HA H 4.12 0.02 1 360 51 51 VAL HB H 2.13 0.02 1 361 51 51 VAL HG2 H 0.98 0.02 1 362 51 51 VAL C C 175.9 0.3 1 363 51 51 VAL CA C 62.1 0.3 1 364 51 51 VAL CB C 33.4 0.3 1 365 51 51 VAL N N 120.6 0.3 1 366 52 52 ASP H H 8.39 0.02 1 367 52 52 ASP HA H 4.67 0.02 1 368 52 52 ASP HB2 H 2.70 0.02 1 369 52 52 ASP C C 176.1 0.3 1 370 52 52 ASP CA C 54.2 0.3 1 371 52 52 ASP CB C 42.1 0.3 1 372 52 52 ASP N N 123.8 0.3 1 373 53 53 SER H H 8.18 0.02 1 374 53 53 SER HA H 4.45 0.02 1 375 53 53 SER HB2 H 3.88 0.02 1 376 53 53 SER C C 174.2 0.3 1 377 53 53 SER CA C 58.2 0.3 1 378 53 53 SER CB C 64.9 0.3 1 379 53 53 SER N N 116.1 0.3 1 380 54 54 TYR H H 8.29 0.02 1 381 54 54 TYR HA H 4.58 0.02 1 382 54 54 TYR HB3 H 3.07 0.02 1 383 54 54 TYR C C 175.7 0.3 1 384 54 54 TYR CA C 58.0 0.3 1 385 54 54 TYR CB C 39.3 0.3 1 386 54 54 TYR N N 122.8 0.3 1 387 55 55 MET H H 8.16 0.02 1 388 55 55 MET HA H 4.43 0.02 1 389 55 55 MET HB2 H 2.00 0.02 1 390 55 55 MET HG2 H 2.52 0.02 1 391 55 55 MET C C 175.4 0.3 1 392 55 55 MET CA C 54.9 0.3 1 393 55 55 MET CB C 33.7 0.3 1 394 55 55 MET N N 122.1 0.3 1 395 56 56 ALA H H 8.18 0.02 1 396 56 56 ALA HA H 4.35 0.02 1 397 56 56 ALA HB H 1.42 0.02 1 398 56 56 ALA C C 177.5 0.3 1 399 56 56 ALA CA C 52.2 0.3 1 400 56 56 ALA CB C 20.5 0.3 1 401 56 56 ALA N N 125.6 0.3 1 402 57 57 ILE H H 8.14 0.02 1 403 57 57 ILE HA H 4.19 0.02 1 404 57 57 ILE HB H 1.90 0.02 1 405 57 57 ILE HG13 H 0.92 0.02 1 406 57 57 ILE C C 176.2 0.3 1 407 57 57 ILE CA C 61.4 0.3 1 408 57 57 ILE CB C 39.3 0.3 1 409 57 57 ILE N N 121.1 0.3 1 410 58 58 VAL H H 8.18 0.02 1 411 58 58 VAL HA H 4.18 0.02 1 412 58 58 VAL HB H 2.08 0.02 1 413 58 58 VAL HG2 H 0.94 0.02 1 414 58 58 VAL C C 175.6 0.3 1 415 58 58 VAL CA C 61.8 0.3 1 416 58 58 VAL CB C 33.6 0.3 1 417 58 58 VAL N N 124.4 0.3 1 418 59 59 ASN H H 8.50 0.02 1 419 59 59 ASN HA H 4.81 0.02 1 420 59 59 ASN HB2 H 2.84 0.02 1 421 59 59 ASN C C 174.9 0.3 1 422 59 59 ASN CA C 52.8 0.3 1 423 59 59 ASN CB C 39.8 0.3 1 424 59 59 ASN N N 123.2 0.3 1 425 60 60 LYS H H 8.37 0.02 1 426 60 60 LYS HA H 4.40 0.02 1 427 60 60 LYS HB2 H 1.77 0.02 1 428 60 60 LYS HB3 H 1.86 0.02 2 429 60 60 LYS HG2 H 1.48 0.02 1 430 60 60 LYS C C 176.5 0.3 1 431 60 60 LYS CA C 56.2 0.3 1 432 60 60 LYS CB C 34.1 0.3 1 433 60 60 LYS N N 122.7 0.3 1 434 61 61 THR H H 8.31 0.02 1 435 61 61 THR HA H 4.47 0.02 1 436 61 61 THR HB H 4.28 0.02 1 437 61 61 THR HG2 H 1.25 0.02 1 438 61 61 THR C C 174.5 0.3 1 439 61 61 THR CA C 61.6 0.3 1 440 61 61 THR CB C 70.8 0.3 1 441 61 61 THR N N 116.1 0.3 1 442 62 62 VAL H H 8.20 0.02 1 443 62 62 VAL HA H 4.21 0.02 1 444 62 62 VAL HB H 2.15 0.02 1 445 62 62 VAL HG2 H 0.98 0.02 1 446 62 62 VAL C C 176.0 0.3 1 447 62 62 VAL CA C 61.9 0.3 1 448 62 62 VAL CB C 33.4 0.3 1 449 62 62 VAL N N 122.8 0.3 1 450 63 63 ARG H H 8.39 0.02 1 451 63 63 ARG HA H 4.39 0.02 1 452 63 63 ARG HB2 H 1.78 0.02 1 453 63 63 ARG HB3 H 1.86 0.02 2 454 63 63 ARG HD2 H 3.25 0.02 1 455 63 63 ARG HG2 H 1.70 0.02 1 456 63 63 ARG C C 175.9 0.3 1 457 63 63 ARG CA C 56.1 0.3 1 458 63 63 ARG CB C 31.9 0.3 1 459 63 63 ARG N N 124.9 0.3 1 460 64 64 ASP H H 8.42 0.02 1 461 64 64 ASP HA H 4.65 0.02 1 462 64 64 ASP HB2 H 2.66 0.02 1 463 64 64 ASP HB3 H 2.76 0.02 2 464 64 64 ASP C C 175.8 0.3 1 465 64 64 ASP CA C 54.0 0.3 1 466 64 64 ASP CB C 42.9 0.3 1 467 64 64 ASP N N 122.0 0.3 1 468 65 65 LEU H H 8.20 0.02 1 469 65 65 LEU HA H 4.38 0.02 1 470 65 65 LEU HB2 H 1.64 0.02 1 471 65 65 LEU HD2 H 0.91 0.02 1 472 65 65 LEU C C 177.1 0.3 1 473 65 65 LEU CA C 54.5 0.3 1 474 65 65 LEU CB C 42.9 0.3 1 475 65 65 LEU N N 122.5 0.3 1 476 66 66 MET H H 8.41 0.02 1 477 66 66 MET HA H 4.75 0.02 1 478 66 66 MET HB2 H 2.06 0.02 1 479 66 66 MET HG2 H 2.66 0.02 1 480 66 66 MET CA C 54.7 0.3 1 481 66 66 MET CB C 33.6 0.3 1 482 66 66 MET N N 122.8 0.3 1 483 68 68 LYS H H 8.14 0.02 1 484 68 68 LYS HA H 4.35 0.02 1 485 68 68 LYS HG2 H 1.41 0.02 1 486 68 68 LYS C C 176.8 0.3 1 487 68 68 LYS CA C 56.3 0.3 1 488 68 68 LYS CB C 33.3 0.3 1 489 68 68 LYS N N 122.8 0.3 1 490 69 69 THR H H 8.17 0.02 1 491 69 69 THR HA H 4.45 0.02 1 492 69 69 THR HB H 4.21 0.02 1 493 69 69 THR HG2 H 1.25 0.02 1 494 69 69 THR C C 174.2 0.3 1 495 69 69 THR CA C 61.5 0.3 1 496 69 69 THR CB C 70.8 0.3 1 497 69 69 THR N N 116.1 0.3 1 498 70 70 ILE H H 8.23 0.02 1 499 70 70 ILE HA H 4.23 0.02 1 500 70 70 ILE HB H 1.88 0.02 1 501 70 70 ILE HD1 H 0.87 0.02 1 502 70 70 ILE C C 175.9 0.3 1 503 70 70 ILE CA C 60.7 0.3 1 504 70 70 ILE CB C 39.7 0.3 1 505 70 70 ILE N N 123.8 0.3 1 506 71 71 MET H H 8.42 0.02 1 507 71 71 MET HA H 4.49 0.02 1 508 71 71 MET HB2 H 2.00 0.02 1 509 71 71 MET HG2 H 2.50 0.02 1 510 71 71 MET HG3 H 2.60 0.02 2 511 71 71 MET C C 175.6 0.3 1 512 71 71 MET CA C 55.7 0.3 1 513 71 71 MET CB C 33.7 0.3 1 514 71 71 MET N N 125.0 0.3 1 515 72 72 HIS H H 8.49 0.02 1 516 72 72 HIS HA H 4.68 0.02 1 517 72 72 HIS HB3 H 3.24 0.02 1 518 72 72 HIS C C 174.2 0.3 1 519 72 72 HIS CA C 55.4 0.3 1 520 72 72 HIS CB C 29.8 0.3 1 521 72 72 HIS N N 121.0 0.3 1 522 73 73 LEU H H 8.34 0.02 1 523 73 73 LEU HA H 4.41 0.02 1 524 73 73 LEU HB2 H 1.60 0.02 1 525 73 73 LEU HD2 H 0.94 0.02 1 526 73 73 LEU C C 177.1 0.3 1 527 73 73 LEU CA C 55.6 0.3 1 528 73 73 LEU CB C 43.3 0.3 1 529 73 73 LEU N N 124.0 0.3 1 530 74 74 MET H H 8.55 0.02 1 531 74 74 MET HA H 4.59 0.02 1 532 74 74 MET HB2 H 2.08 0.02 1 533 74 74 MET HG2 H 2.71 0.02 1 534 74 74 MET C C 176.0 0.3 1 535 74 74 MET CA C 54.9 0.3 1 536 74 74 MET CB C 33.4 0.3 1 537 74 74 MET N N 122.6 0.3 1 538 75 75 ILE H H 8.15 0.02 1 539 75 75 ILE HA H 4.20 0.02 1 540 75 75 ILE HB H 1.92 0.02 1 541 75 75 ILE C C 175.6 0.3 1 542 75 75 ILE CA C 60.8 0.3 1 543 75 75 ILE CB C 39.6 0.3 1 544 75 75 ILE N N 122.1 0.3 1 545 76 76 ASN H H 8.50 0.02 1 546 76 76 ASN HA H 4.81 0.02 1 547 76 76 ASN HB2 H 2.87 0.02 1 548 76 76 ASN C C 174.7 0.3 1 549 76 76 ASN CA C 52.8 0.3 1 550 76 76 ASN CB C 39.8 0.3 1 551 76 76 ASN N N 122.8 0.3 1 552 77 77 ASN H H 8.47 0.02 1 553 77 77 ASN HA H 4.84 0.02 1 554 77 77 ASN HB2 H 2.86 0.02 1 555 77 77 ASN C C 175.3 0.3 1 556 77 77 ASN CA C 52.8 0.3 1 557 77 77 ASN CB C 39.8 0.3 1 558 77 77 ASN N N 120.4 0.3 1 559 78 78 THR H H 8.17 0.02 1 560 78 78 THR HA H 4.42 0.02 1 561 78 78 THR HB H 4.29 0.02 1 562 78 78 THR C C 174.5 0.3 1 563 78 78 THR CA C 61.5 0.3 1 564 78 78 THR CB C 70.4 0.3 1 565 78 78 THR N N 114.2 0.3 1 566 79 79 LYS H H 8.36 0.02 1 567 79 79 LYS HA H 4.32 0.02 1 568 79 79 LYS HB3 H 1.75 0.02 1 569 79 79 LYS HG2 H 1.41 0.02 1 570 79 79 LYS C C 176.2 0.3 1 571 79 79 LYS CA C 56.2 0.3 1 572 79 79 LYS CB C 33.7 0.3 1 573 79 79 LYS N N 123.7 0.3 1 574 80 80 GLU H H 8.38 0.02 1 575 80 80 GLU HA H 4.39 0.02 1 576 80 80 GLU HB2 H 2.12 0.02 1 577 80 80 GLU C C 175.8 0.3 1 578 80 80 GLU CA C 56.2 0.3 1 579 80 80 GLU CB C 30.8 0.3 1 580 80 80 GLU N N 122.3 0.3 1 581 81 81 PHE H H 8.23 0.02 1 582 81 81 PHE HA H 4.71 0.02 1 583 81 81 PHE HB3 H 3.00 0.02 1 584 81 81 PHE C C 175.3 0.3 1 585 81 81 PHE CA C 57.5 0.3 1 586 81 81 PHE CB C 39.8 0.3 1 587 81 81 PHE N N 121.7 0.3 1 588 82 82 ILE H H 8.05 0.02 1 589 82 82 ILE HA H 4.15 0.02 1 590 82 82 ILE HB H 1.78 0.02 1 591 82 82 ILE C C 175.7 0.3 1 592 82 82 ILE CA C 60.6 0.3 1 593 82 82 ILE CB C 40.4 0.3 1 594 82 82 ILE N N 123.0 0.3 1 595 83 83 PHE H H 8.31 0.02 1 596 83 83 PHE HA H 4.65 0.02 1 597 83 83 PHE HB2 H 3.05 0.02 1 598 83 83 PHE HB3 H 3.19 0.02 2 599 83 83 PHE C C 175.8 0.3 1 600 83 83 PHE CA C 57.7 0.3 1 601 83 83 PHE CB C 40.0 0.3 1 602 83 83 PHE N N 124.7 0.3 1 603 84 84 SER H H 8.21 0.02 1 604 84 84 SER HA H 4.43 0.02 1 605 84 84 SER HB2 H 3.93 0.02 1 606 84 84 SER C C 174.4 0.3 1 607 84 84 SER CA C 58.3 0.3 1 608 84 84 SER CB C 64.7 0.3 1 609 84 84 SER N N 117.4 0.3 1 610 85 85 GLU H H 8.47 0.02 1 611 85 85 GLU HA H 4.34 0.02 1 612 85 85 GLU HB2 H 2.00 0.02 1 613 85 85 GLU HG2 H 2.33 0.02 1 614 85 85 GLU C C 176.4 0.3 1 615 85 85 GLU CA C 56.5 0.3 1 616 85 85 GLU CB C 29.9 0.3 1 617 85 85 GLU N N 123.6 0.3 1 618 86 86 LEU H H 8.17 0.02 1 619 86 86 LEU HA H 4.37 0.02 1 620 86 86 LEU HB2 H 1.64 0.02 1 621 86 86 LEU HD2 H 0.96 0.02 1 622 86 86 LEU C C 174.2 0.3 1 623 86 86 LEU CA C 55.1 0.3 1 624 86 86 LEU CB C 41.9 0.3 1 625 86 86 LEU N N 122.5 0.3 1 626 87 87 LEU H H 8.32 0.02 1 627 87 87 LEU HA H 4.40 0.02 1 628 87 87 LEU HB2 H 1.67 0.02 1 629 87 87 LEU HD2 H 0.93 0.02 1 630 87 87 LEU HG H 1.60 0.02 1 631 87 87 LEU C C 177.2 0.3 1 632 87 87 LEU CA C 55.1 0.3 1 633 87 87 LEU CB C 42.7 0.3 1 634 87 87 LEU N N 123.8 0.3 1 635 88 88 ALA H H 8.19 0.02 1 636 88 88 ALA HA H 4.26 0.02 1 637 88 88 ALA HB H 1.43 0.02 1 638 88 88 ALA C C 177.5 0.3 1 639 88 88 ALA CA C 52.6 0.3 1 640 88 88 ALA CB C 20.2 0.3 1 641 88 88 ALA N N 123.8 0.3 1 642 89 89 ASN H H 8.32 0.02 1 643 89 89 ASN HA H 4.71 0.02 1 644 89 89 ASN HB2 H 2.82 0.02 1 645 89 89 ASN C C 175.2 0.3 1 646 89 89 ASN CA C 52.9 0.3 1 647 89 89 ASN CB C 39.6 0.3 1 648 89 89 ASN N N 117.8 0.3 1 649 90 90 LEU H H 8.13 0.02 1 650 90 90 LEU HA H 4.26 0.02 1 651 90 90 LEU HB2 H 1.56 0.02 1 652 90 90 LEU HB3 H 1.68 0.02 2 653 90 90 LEU HD2 H 0.88 0.02 1 654 90 90 LEU C C 177.0 0.3 1 655 90 90 LEU CA C 55.2 0.3 1 656 90 90 LEU CB C 43.1 0.3 1 657 90 90 LEU N N 122.6 0.3 1 658 91 91 TYR H H 8.18 0.02 1 659 91 91 TYR HA H 4.67 0.02 1 660 91 91 TYR HB2 H 2.98 0.02 1 661 91 91 TYR HB3 H 3.18 0.02 2 662 91 91 TYR C C 175.8 0.3 1 663 91 91 TYR CA C 57.6 0.3 1 664 91 91 TYR CB C 39.5 0.3 1 665 91 91 TYR N N 120.0 0.3 1 666 92 92 SER H H 8.23 0.02 1 667 92 92 SER HA H 4.57 0.02 1 668 92 92 SER HB2 H 3.93 0.02 1 669 92 92 SER C C 174.3 0.3 1 670 92 92 SER CA C 58.3 0.3 1 671 92 92 SER CB C 64.8 0.3 1 672 92 92 SER N N 117.3 0.3 1 673 93 93 CYS H H 8.42 0.02 1 674 93 93 CYS HA H 4.63 0.02 1 675 93 93 CYS HB2 H 3.02 0.02 1 676 93 93 CYS C C 174.9 0.3 1 677 93 93 CYS CA C 58.4 0.3 1 678 93 93 CYS CB C 29.2 0.3 1 679 93 93 CYS N N 121.1 0.3 1 680 94 94 GLY H H 8.47 0.02 1 681 94 94 GLY HA2 H 4.07 0.02 1 682 94 94 GLY C C 173.7 0.3 1 683 94 94 GLY CA C 45.1 0.3 1 684 94 94 GLY N N 111.4 0.3 1 685 95 95 ASP H H 8.32 0.02 1 686 95 95 ASP HA H 4.67 0.02 1 687 95 95 ASP HB2 H 2.73 0.02 1 688 95 95 ASP C C 176.3 0.3 1 689 95 95 ASP CA C 54.2 0.3 1 690 95 95 ASP CB C 42.1 0.3 1 691 95 95 ASP N N 121.0 0.3 1 692 96 96 GLN H H 8.48 0.02 1 693 96 96 GLN HA H 4.33 0.02 1 694 96 96 GLN HB2 H 2.05 0.02 1 695 96 96 GLN HB3 H 2.15 0.02 2 696 96 96 GLN HG2 H 2.42 0.02 1 697 96 96 GLN C C 175.8 0.3 1 698 96 96 GLN CA C 55.9 0.3 1 699 96 96 GLN CB C 30.1 0.3 1 700 96 96 GLN N N 120.3 0.3 1 701 97 97 ASN H H 8.56 0.02 1 702 97 97 ASN HA H 4.81 0.02 1 703 97 97 ASN HB2 H 2.87 0.02 1 704 97 97 ASN C C 175.3 0.3 1 705 97 97 ASN CA C 53.0 0.3 1 706 97 97 ASN CB C 39.6 0.3 1 707 97 97 ASN N N 119.9 0.3 1 708 98 98 THR H H 8.14 0.02 1 709 98 98 THR HA H 4.39 0.02 1 710 98 98 THR HG2 H 1.23 0.02 1 711 98 98 THR C C 174.5 0.3 1 712 98 98 THR CA C 61.7 0.3 1 713 98 98 THR CB C 70.8 0.3 1 714 98 98 THR N N 114.6 0.3 1 715 99 99 LEU H H 8.33 0.02 1 716 99 99 LEU HA H 4.38 0.02 1 717 99 99 LEU HB2 H 1.66 0.02 1 718 99 99 LEU HD2 H 0.92 0.02 1 719 99 99 LEU C C 177.4 0.3 1 720 99 99 LEU CA C 55.2 0.3 1 721 99 99 LEU CB C 42.9 0.3 1 722 99 99 LEU N N 124.6 0.3 1 723 100 100 MET H H 8.39 0.02 1 724 100 100 MET HA H 4.49 0.02 1 725 100 100 MET HB2 H 2.09 0.02 1 726 100 100 MET HG2 H 2.61 0.02 1 727 100 100 MET C C 176.3 0.3 1 728 100 100 MET CA C 55.6 0.3 1 729 100 100 MET CB C 33.5 0.3 1 730 100 100 MET N N 121.6 0.3 1 731 101 101 GLU H H 8.45 0.02 1 732 101 101 GLU HA H 4.32 0.02 1 733 101 101 GLU HB2 H 2.01 0.02 1 734 101 101 GLU HG2 H 2.34 0.02 1 735 101 101 GLU C C 176.4 0.3 1 736 101 101 GLU CA C 56.2 0.3 1 737 101 101 GLU CB C 31.1 0.3 1 738 101 101 GLU N N 122.5 0.3 1 739 102 102 GLU H H 8.53 0.02 1 740 102 102 GLU HA H 4.34 0.02 1 741 102 102 GLU HB2 H 2.00 0.02 1 742 102 102 GLU HB3 H 2.07 0.02 2 743 102 102 GLU HG2 H 2.32 0.02 1 744 102 102 GLU C C 176.5 0.3 1 745 102 102 GLU CA C 56.3 0.3 1 746 102 102 GLU CB C 30.6 0.3 1 747 102 102 GLU N N 122.3 0.3 1 748 103 103 SER H H 8.44 0.02 1 749 103 103 SER HA H 4.50 0.02 1 750 103 103 SER HB2 H 3.94 0.02 1 751 103 103 SER HB3 H 4.03 0.02 2 752 103 103 SER C C 174.4 0.3 1 753 103 103 SER CA C 57.9 0.3 1 754 103 103 SER CB C 64.1 0.3 1 755 103 103 SER N N 117.3 0.3 1 756 104 104 ALA H H 8.48 0.02 1 757 104 104 ALA HA H 4.37 0.02 1 758 104 104 ALA HB H 1.47 0.02 1 759 104 104 ALA C C 178.1 0.3 1 760 104 104 ALA CA C 52.8 0.3 1 761 104 104 ALA CB C 20.2 0.3 1 762 104 104 ALA N N 126.3 0.3 1 763 105 105 GLU H H 8.42 0.02 1 764 105 105 GLU HA H 4.25 0.02 1 765 105 105 GLU HB2 H 2.04 0.02 1 766 105 105 GLU HG2 H 2.34 0.02 1 767 105 105 GLU C C 176.9 0.3 1 768 105 105 GLU CA C 57.0 0.3 1 769 105 105 GLU CB C 30.6 0.3 1 770 105 105 GLU N N 119.9 0.3 1 771 106 106 GLN H H 8.31 0.02 1 772 106 106 GLN HA H 4.31 0.02 1 773 106 106 GLN HB3 H 2.09 0.02 1 774 106 106 GLN HG2 H 2.46 0.02 1 775 106 106 GLN C C 176.1 0.3 1 776 106 106 GLN CA C 56.1 0.3 1 777 106 106 GLN CB C 30.5 0.3 1 778 106 106 GLN N N 121.0 0.3 1 779 107 107 ALA H H 8.35 0.02 1 780 107 107 ALA HA H 4.32 0.02 1 781 107 107 ALA HB H 1.45 0.02 1 782 107 107 ALA C C 177.9 0.3 1 783 107 107 ALA CA C 52.7 0.3 1 784 107 107 ALA CB C 20.2 0.3 1 785 107 107 ALA N N 124.9 0.3 1 786 108 108 GLN H H 8.33 0.02 1 787 108 108 GLN HA H 4.34 0.02 1 788 108 108 GLN HB3 H 2.09 0.02 1 789 108 108 GLN HG2 H 2.46 0.02 1 790 108 108 GLN C C 176.3 0.3 1 791 108 108 GLN CA C 56.0 0.3 1 792 108 108 GLN CB C 30.1 0.3 1 793 108 108 GLN N N 119.7 0.3 1 794 109 109 ARG H H 8.38 0.02 1 795 109 109 ARG HA H 4.40 0.02 1 796 109 109 ARG HB3 H 1.87 0.02 1 797 109 109 ARG HD2 H 3.25 0.02 1 798 109 109 ARG HG2 H 1.69 0.02 1 799 109 109 ARG C C 174.4 0.3 1 800 109 109 ARG CA C 55.7 0.3 1 801 109 109 ARG CB C 30.0 0.3 1 802 109 109 ARG N N 122.5 0.3 1 803 110 110 ARG H H 8.44 0.02 1 804 110 110 ARG HA H 4.41 0.02 1 805 110 110 ARG HB2 H 1.92 0.02 1 806 110 110 ARG HB3 H 1.80 0.02 2 807 110 110 ARG HD2 H 3.25 0.02 1 808 110 110 ARG HG2 H 1.68 0.02 1 809 110 110 ARG C C 176.4 0.3 1 810 110 110 ARG CA C 55.7 0.3 1 811 110 110 ARG CB C 31.9 0.3 1 812 110 110 ARG N N 123.6 0.3 1 813 111 111 ASP H H 8.44 0.02 1 814 111 111 ASP HA H 4.63 0.02 1 815 111 111 ASP HB2 H 2.76 0.02 1 816 111 111 ASP CA C 54.6 0.3 1 817 111 111 ASP CB C 42.7 0.3 1 818 111 111 ASP N N 121.4 0.3 1 819 113 113 MET H H 8.58 0.02 1 820 113 113 MET HA H 4.67 0.02 1 821 113 113 MET HB2 H 2.07 0.02 1 822 113 113 MET HG2 H 2.69 0.02 1 823 113 113 MET C C 176.3 0.3 1 824 113 113 MET CA C 56.2 0.3 1 825 113 113 MET CB C 33.7 0.3 1 826 113 113 MET N N 122.7 0.3 1 827 114 114 LEU H H 8.20 0.02 1 828 114 114 LEU HA H 4.30 0.02 1 829 114 114 LEU HB2 H 1.72 0.02 1 830 114 114 LEU HD2 H 0.91 0.02 1 831 114 114 LEU C C 177.3 0.3 1 832 114 114 LEU CA C 55.0 0.3 1 833 114 114 LEU CB C 42.8 0.3 1 834 114 114 LEU N N 123.2 0.3 1 835 115 115 ARG H H 8.38 0.02 1 836 115 115 ARG HA H 4.38 0.02 1 837 115 115 ARG HB3 H 1.87 0.02 1 838 115 115 ARG HD2 H 3.24 0.02 1 839 115 115 ARG HG2 H 1.69 0.02 1 840 115 115 ARG C C 176.2 0.3 1 841 115 115 ARG CA C 56.0 0.3 1 842 115 115 ARG CB C 30.7 0.3 1 843 115 115 ARG N N 122.5 0.3 1 844 116 116 MET H H 8.33 0.02 1 845 116 116 MET HA H 4.44 0.02 1 846 116 116 MET HB2 H 1.97 0.02 1 847 116 116 MET HG2 H 2.45 0.02 1 848 116 116 MET C C 175.7 0.3 1 849 116 116 MET CA C 55.5 0.3 1 850 116 116 MET CB C 31.5 0.3 1 851 116 116 MET N N 121.6 0.3 1 852 117 117 TYR H H 8.29 0.02 1 853 117 117 TYR HA H 4.69 0.02 1 854 117 117 TYR HB3 H 2.99 0.02 1 855 117 117 TYR C C 176.5 0.3 1 856 117 117 TYR CA C 57.1 0.3 1 857 117 117 TYR CB C 41.9 0.3 1 858 117 117 TYR N N 121.8 0.3 1 859 118 118 HIS H H 8.32 0.02 1 860 118 118 HIS HA H 4.67 0.02 1 861 118 118 HIS HB2 H 3.16 0.02 1 862 118 118 HIS HB3 H 3.25 0.02 2 863 118 118 HIS C C 173.9 0.3 1 864 118 118 HIS CA C 56.5 0.3 1 865 118 118 HIS CB C 30.6 0.3 1 866 118 118 HIS N N 121.1 0.3 1 867 119 119 ALA H H 8.33 0.02 1 868 119 119 ALA HA H 4.33 0.02 1 869 119 119 ALA HB H 1.45 0.02 1 870 119 119 ALA C C 177.5 0.3 1 871 119 119 ALA CA C 52.2 0.3 1 872 119 119 ALA CB C 20.3 0.3 1 873 119 119 ALA N N 125.6 0.3 1 874 120 120 LEU H H 8.29 0.02 1 875 120 120 LEU HA H 4.37 0.02 1 876 120 120 LEU HB2 H 1.64 0.02 1 877 120 120 LEU HD2 H 0.98 0.02 1 878 120 120 LEU C C 177.4 0.3 1 879 120 120 LEU CA C 55.6 0.3 1 880 120 120 LEU CB C 43.1 0.3 1 881 120 120 LEU N N 122.0 0.3 1 882 121 121 LYS H H 8.36 0.02 1 883 121 121 LYS HA H 4.40 0.02 1 884 121 121 LYS HB2 H 1.77 0.02 1 885 121 121 LYS HB3 H 1.84 0.02 2 886 121 121 LYS HG2 H 1.46 0.02 1 887 121 121 LYS C C 176.5 0.3 1 888 121 121 LYS CA C 56.3 0.3 1 889 121 121 LYS CB C 30.8 0.3 1 890 121 121 LYS N N 122.7 0.3 1 891 122 122 GLU H H 8.30 0.02 1 892 122 122 GLU HA H 4.30 0.02 1 893 122 122 GLU HB2 H 2.11 0.02 1 894 122 122 GLU HG2 H 2.45 0.02 1 895 122 122 GLU CA C 57.1 0.3 1 896 122 122 GLU CB C 30.9 0.3 1 897 122 122 GLU N N 121.0 0.3 1 898 123 123 ALA H H 8.39 0.02 1 899 123 123 ALA HA H 4.36 0.02 1 900 123 123 ALA HB H 1.45 0.02 1 901 123 123 ALA C C 177.6 0.3 1 902 123 123 ALA CA C 52.2 0.3 1 903 123 123 ALA CB C 20.2 0.3 1 904 123 123 ALA N N 125.6 0.3 1 905 124 124 LEU H H 8.32 0.02 1 906 124 124 LEU HA H 4.37 0.02 1 907 124 124 LEU HB2 H 1.67 0.02 1 908 124 124 LEU HG H 0.94 0.02 1 909 124 124 LEU C C 177.4 0.3 1 910 124 124 LEU CA C 54.8 0.3 1 911 124 124 LEU CB C 43.1 0.3 1 912 124 124 LEU N N 122.3 0.3 1 913 125 125 SER H H 8.32 0.02 1 914 125 125 SER HA H 4.55 0.02 1 915 125 125 SER HB2 H 3.93 0.02 1 916 125 125 SER C C 174.3 0.3 1 917 125 125 SER CA C 57.8 0.3 1 918 125 125 SER CB C 65.0 0.3 1 919 125 125 SER N N 117.2 0.3 1 920 126 126 ILE H H 8.21 0.02 1 921 126 126 ILE HA H 4.22 0.02 1 922 126 126 ILE HB H 1.94 0.02 1 923 126 126 ILE HG13 H 0.97 0.02 1 924 126 126 ILE CA C 61.1 0.3 1 925 126 126 ILE CB C 39.3 0.3 1 926 126 126 ILE N N 123.1 0.3 1 927 127 127 ILE H H 8.21 0.02 1 928 127 127 ILE HA H 4.21 0.02 1 929 127 127 ILE HB H 1.91 0.02 1 930 127 127 ILE HG13 H 0.95 0.02 1 931 127 127 ILE C C 176.5 0.3 1 932 127 127 ILE CA C 61.1 0.3 1 933 127 127 ILE CB C 39.3 0.3 1 934 127 127 ILE N N 125.0 0.3 1 935 128 128 GLY H H 8.41 0.02 1 936 128 128 GLY HA2 H 4.02 0.02 1 937 128 128 GLY C C 173.4 0.3 1 938 128 128 GLY CA C 44.9 0.3 1 939 128 128 GLY N N 113.1 0.3 1 940 129 129 ASN H H 8.37 0.02 1 941 129 129 ASN HA H 4.83 0.02 1 942 129 129 ASN HB2 H 2.85 0.02 1 943 129 129 ASN C C 175.3 0.3 1 944 129 129 ASN CA C 52.8 0.3 1 945 129 129 ASN CB C 39.8 0.3 1 946 129 129 ASN N N 119.6 0.3 1 947 130 130 ILE H H 8.21 0.02 1 948 130 130 ILE HA H 4.23 0.02 1 949 130 130 ILE HB H 1.93 0.02 1 950 130 130 ILE HG13 H 0.92 0.02 1 951 130 130 ILE C C 175.8 0.3 1 952 130 130 ILE CA C 61.3 0.3 1 953 130 130 ILE CB C 39.6 0.3 1 954 130 130 ILE N N 121.1 0.3 1 955 131 131 ASN H H 8.59 0.02 1 956 131 131 ASN HA H 4.89 0.02 1 957 131 131 ASN HB2 H 2.87 0.02 1 958 131 131 ASN HB3 H 2.93 0.02 2 959 131 131 ASN C C 175.3 0.3 1 960 131 131 ASN CA C 52.9 0.3 1 961 131 131 ASN CB C 39.8 0.3 1 962 131 131 ASN N N 122.6 0.3 1 963 132 132 THR H H 8.18 0.02 1 964 132 132 THR HA H 4.51 0.02 1 965 132 132 THR HB H 4.38 0.02 1 966 132 132 THR HG2 H 1.25 0.02 1 967 132 132 THR C C 174.6 0.3 1 968 132 132 THR CA C 61.4 0.3 1 969 132 132 THR CB C 70.8 0.3 1 970 132 132 THR N N 114.6 0.3 1 971 133 133 THR H H 8.26 0.02 1 972 133 133 THR HA H 4.54 0.02 1 973 133 133 THR HB H 4.31 0.02 1 974 133 133 THR HG2 H 1.27 0.02 1 975 133 133 THR CA C 61.5 0.3 1 976 133 133 THR CB C 71.0 0.3 1 977 133 133 THR N N 116.3 0.3 1 978 134 134 THR H H 8.26 0.02 1 979 134 134 THR HA H 4.52 0.02 1 980 134 134 THR HB H 4.28 0.02 1 981 134 134 THR HG2 H 1.26 0.02 1 982 134 134 THR C C 174.4 0.3 1 983 134 134 THR CA C 61.4 0.3 1 984 134 134 THR CB C 71.0 0.3 1 985 134 134 THR N N 117.0 0.3 1 986 135 135 VAL H H 8.23 0.02 1 987 135 135 VAL HA H 4.28 0.02 1 988 135 135 VAL HB H 2.16 0.02 1 989 135 135 VAL HG2 H 0.99 0.02 1 990 135 135 VAL C C 175.9 0.3 1 991 135 135 VAL CA C 61.8 0.3 1 992 135 135 VAL CB C 33.7 0.3 1 993 135 135 VAL N N 122.5 0.3 1 994 136 136 SER H H 8.44 0.02 1 995 136 136 SER HA H 4.63 0.02 1 996 136 136 SER HB2 H 3.93 0.02 1 997 136 136 SER C C 174.1 0.3 1 998 136 136 SER CA C 57.6 0.3 1 999 136 136 SER CB C 64.9 0.3 1 1000 136 136 SER N N 120.2 0.3 1 1001 137 137 THR H H 8.27 0.02 1 1002 137 137 THR HA H 4.65 0.02 1 1003 137 137 THR HB H 4.23 0.02 1 1004 137 137 THR HG2 H 1.28 0.02 1 1005 137 137 THR C C 172.6 0.3 1 1006 137 137 THR CA C 59.3 0.3 1 1007 137 137 THR CB C 70.4 0.3 1 1008 137 137 THR N N 118.3 0.3 1 stop_ save_