data_5162 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments and secondary structure of the PWI domain from SRm160 using Reduced Dimensionality NMR ; _BMRB_accession_number 5162 _BMRB_flat_file_name bmr5162.str _Entry_type original _Submission_date 2001-10-01 _Accession_date 2001-10-01 _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 Szymczyna Blair R. . 2 Pineda-Lucena Antonio . . 3 Mills Jeffrey L. . 4 Szyperski Thomas . . 5 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 701 "13C chemical shifts" 509 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-12-27 original author . stop_ _Original_release_date 2002-12-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C, and 15N Resonance Assignments and Secondary Structure of the PWI Domain from SRm160 using Reduced Dimensionality NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21986774 _PubMed_ID 11991360 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Szymczyna Blair R. . 2 Pineda-Lucena Antonio . . 3 Mills Jeffrey L. . 4 Szyperski Thomas . . 5 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 22 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 299 _Page_last 300 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_SRm160 _Saveframe_category molecular_system _Mol_system_name SRm160 _Abbreviation_common SRm160 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PWI domain of SRm160' $SRm160 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SRm160 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SRm160 _Abbreviation_common SRm160 _Molecular_mass 12910 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; MQLKFAECLEKKVDMSKVNL EVIKPWITKRVTEILGFEDD VVIEFIFNQLEVKNPDSKMM QINLTGFLNGKNAREFMGEL WPLLLSAQENIAGIPSAFLE LKKEEIKQR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 26 MET 2 27 GLN 3 28 LEU 4 29 LYS 5 30 PHE 6 31 ALA 7 32 GLU 8 33 CYS 9 34 LEU 10 35 GLU 11 36 LYS 12 37 LYS 13 38 VAL 14 39 ASP 15 40 MET 16 41 SER 17 42 LYS 18 43 VAL 19 44 ASN 20 45 LEU 21 46 GLU 22 47 VAL 23 48 ILE 24 49 LYS 25 50 PRO 26 51 TRP 27 52 ILE 28 53 THR 29 54 LYS 30 55 ARG 31 56 VAL 32 57 THR 33 58 GLU 34 59 ILE 35 60 LEU 36 61 GLY 37 62 PHE 38 63 GLU 39 64 ASP 40 65 ASP 41 66 VAL 42 67 VAL 43 68 ILE 44 69 GLU 45 70 PHE 46 71 ILE 47 72 PHE 48 73 ASN 49 74 GLN 50 75 LEU 51 76 GLU 52 77 VAL 53 78 LYS 54 79 ASN 55 80 PRO 56 81 ASP 57 82 SER 58 83 LYS 59 84 MET 60 85 MET 61 86 GLN 62 87 ILE 63 88 ASN 64 89 LEU 65 90 THR 66 91 GLY 67 92 PHE 68 93 LEU 69 94 ASN 70 95 GLY 71 96 LYS 72 97 ASN 73 98 ALA 74 99 ARG 75 100 GLU 76 101 PHE 77 102 MET 78 103 GLY 79 104 GLU 80 105 LEU 81 106 TRP 82 107 PRO 83 108 LEU 84 109 LEU 85 110 LEU 86 111 SER 87 112 ALA 88 113 GLN 89 114 GLU 90 115 ASN 91 116 ILE 92 117 ALA 93 118 GLY 94 119 ILE 95 120 PRO 96 121 SER 97 122 ALA 98 123 PHE 99 124 LEU 100 125 GLU 101 126 LEU 102 127 LYS 103 128 LYS 104 129 GLU 105 130 GLU 106 131 ILE 107 132 LYS 108 133 GLN 109 134 ARG 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 1MP1 "Solution Structure Of The Pwi Motif From Srm160" 100.00 111 100.00 100.00 1.19e-70 DBJ BAB25575 "unnamed protein product [Mus musculus]" 99.08 265 100.00 100.00 3.06e-71 DBJ BAH13726 "unnamed protein product [Homo sapiens]" 99.08 916 100.00 100.00 1.27e-65 DBJ BAK63562 "serine/arginine repetitive matrix protein 1 [Pan troglodytes]" 99.08 508 100.00 100.00 2.71e-65 EMBL CAG31044 "hypothetical protein RCJMB04_1m21 [Gallus gallus]" 99.08 888 99.07 100.00 2.49e-65 EMBL CAH92914 "hypothetical protein [Pongo abelii]" 99.08 917 100.00 100.00 1.29e-65 EMBL CAJ83937 "serine/arginine repetitive matrix 1 [Xenopus (Silurana) tropicalis]" 99.08 816 98.15 99.07 1.34e-65 GB AAC09321 "Ser/Arg-related nuclear matrix protein [Homo sapiens]" 99.08 820 100.00 100.00 8.11e-66 GB AAC17422 "plenty-of-prolines-101 [Mus musculus]" 99.08 897 100.00 100.00 1.64e-66 GB AAH36187 "Serine/arginine repetitive matrix 1 [Homo sapiens]" 99.08 904 100.00 100.00 1.08e-65 GB AAH74646 "serine/arginine repetitive matrix 1 [Xenopus (Silurana) tropicalis]" 99.08 874 98.15 99.07 6.93e-65 GB AAH82855 "LOC494754 protein [Xenopus laevis]" 99.08 796 97.22 98.15 1.63e-64 REF NP_001005645 "serine/arginine repetitive matrix 1 [Xenopus (Silurana) tropicalis]" 99.08 874 98.15 99.07 6.93e-65 REF NP_001026665 "serine/arginine repetitive matrix protein 1 [Gallus gallus]" 99.08 888 99.07 100.00 2.49e-65 REF NP_001101456 "serine/arginine repetitive matrix protein 1 [Rattus norvegicus]" 99.08 908 100.00 100.00 3.48e-66 REF NP_001123949 "serine/arginine repetitive matrix protein 1 isoform 2 [Mus musculus]" 99.08 918 100.00 100.00 5.03e-66 REF NP_001126712 "serine/arginine repetitive matrix protein 1 [Pongo abelii]" 99.08 917 100.00 100.00 1.29e-65 SP Q52KI8 "RecName: Full=Serine/arginine repetitive matrix protein 1; AltName: Full=Plenty-of-prolines 101 [Mus musculus]" 99.08 946 100.00 100.00 4.14e-66 SP Q5R5Q2 "RecName: Full=Serine/arginine repetitive matrix protein 1 [Pongo abelii]" 99.08 917 100.00 100.00 1.29e-65 SP Q5ZMJ9 "RecName: Full=Serine/arginine repetitive matrix protein 1 [Gallus gallus]" 99.08 888 99.07 100.00 2.49e-65 SP Q8IYB3 "RecName: Full=Serine/arginine repetitive matrix protein 1; AltName: Full=SR-related nuclear matrix protein of 160 kDa; Short=SR" 99.08 904 100.00 100.00 1.10e-65 TPG DAA32178 "TPA: serine/arginine repetitive matrix 1 [Bos taurus]" 99.08 915 100.00 100.00 1.67e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SRm160 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 $SRm160 '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 $SRm160 1.5 mM '[U-15N; U-13C]' 'sodium phosphate dibasic' 7.9 mM . 'sodium phosphate monobasic' 17.1 mM . 'sodium chloride' 300 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 298 1 K 'ionic strength' 0.34 0.02 M 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 _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . internal . 1.0 DSS C 13 'methyl protons' ppm 0.00 internal indirect . internal . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 internal indirect . internal . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'PWI domain of SRm160' _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 26 1 MET N N 121.5 0.05 1 2 26 1 MET H H 8.40 0.02 1 3 26 1 MET CA C 55.8 0.05 1 4 26 1 MET HA H 4.45 0.02 1 5 26 1 MET CB C 33.0 0.05 1 6 26 1 MET HB2 H 2.08 0.02 2 7 26 1 MET HB3 H 2.02 0.02 2 8 26 1 MET CG C 32.0 0.05 1 9 26 1 MET HG2 H 2.57 0.02 2 10 26 1 MET HG3 H 2.52 0.02 2 11 26 1 MET HE H 2.14 0.02 1 12 26 1 MET CE C 17.2 0.05 1 13 26 1 MET C C 175.8 0.05 1 14 27 2 GLN N N 121.9 0.05 1 15 27 2 GLN H H 8.50 0.02 1 16 27 2 GLN CA C 55.8 0.05 1 17 27 2 GLN HA H 4.38 0.02 1 18 27 2 GLN CB C 29.3 0.05 1 19 27 2 GLN HB2 H 2.11 0.02 2 20 27 2 GLN HB3 H 2.02 0.02 2 21 27 2 GLN CG C 33.9 0.05 1 22 27 2 GLN HG2 H 2.38 0.02 1 23 27 2 GLN HG3 H 2.38 0.02 1 24 27 2 GLN NE2 N 112.5 0.05 1 25 27 2 GLN HE21 H 7.60 0.02 2 26 27 2 GLN HE22 H 6.94 0.02 2 27 27 2 GLN C C 175.7 0.05 1 28 28 3 LEU N N 124.0 0.05 1 29 28 3 LEU H H 8.18 0.02 1 30 28 3 LEU CA C 55.0 0.05 1 31 28 3 LEU HA H 4.28 0.02 1 32 28 3 LEU CB C 42.5 0.05 1 33 28 3 LEU HB2 H 1.51 0.02 2 34 28 3 LEU HB3 H 1.32 0.02 2 35 28 3 LEU CG C 27.2 0.05 1 36 28 3 LEU HG H 1.55 0.02 1 37 28 3 LEU HD1 H 0.93 0.02 2 38 28 3 LEU HD2 H 0.86 0.02 2 39 28 3 LEU CD1 C 25.2 0.05 1 40 28 3 LEU CD2 C 23.8 0.05 1 41 28 3 LEU C C 176.2 0.05 1 42 29 4 LYS N N 122.5 0.05 1 43 29 4 LYS H H 8.13 0.02 1 44 29 4 LYS CA C 55.9 0.05 1 45 29 4 LYS HA H 4.26 0.02 1 46 29 4 LYS CB C 33.4 0.05 1 47 29 4 LYS HB2 H 1.66 0.02 1 48 29 4 LYS HB3 H 1.66 0.02 1 49 29 4 LYS CG C 24.8 0.05 1 50 29 4 LYS HG2 H 1.35 0.02 2 51 29 4 LYS HG3 H 1.22 0.02 2 52 29 4 LYS CD C 29.2 0.05 1 53 29 4 LYS HD2 H 1.65 0.02 1 54 29 4 LYS HD3 H 1.65 0.02 1 55 29 4 LYS CE C 42.2 0.05 1 56 29 4 LYS HE2 H 2.99 0.02 1 57 29 4 LYS HE3 H 2.99 0.02 1 58 29 4 LYS C C 175.3 0.05 1 59 30 5 PHE N N 120.8 0.05 1 60 30 5 PHE H H 8.29 0.02 1 61 30 5 PHE CA C 56.8 0.05 1 62 30 5 PHE HA H 4.83 0.02 1 63 30 5 PHE CB C 40.9 0.05 1 64 30 5 PHE HB2 H 3.06 0.02 2 65 30 5 PHE HB3 H 2.93 0.02 2 66 30 5 PHE HD1 H 7.29 0.02 1 67 30 5 PHE HD2 H 7.29 0.02 1 68 30 5 PHE CD1 C 132.0 0.05 1 69 30 5 PHE CD2 C 132.0 0.05 1 70 30 5 PHE C C 175.7 0.05 1 71 31 6 ALA N N 125.7 0.05 1 72 31 6 ALA H H 8.98 0.02 1 73 31 6 ALA CA C 53.1 0.05 1 74 31 6 ALA HA H 4.29 0.02 1 75 31 6 ALA HB H 1.59 0.02 1 76 31 6 ALA CB C 19.1 0.05 1 77 31 6 ALA C C 179.1 0.05 1 78 32 7 GLU N N 122.0 0.05 1 79 32 7 GLU H H 8.83 0.02 1 80 32 7 GLU CA C 59.4 0.05 1 81 32 7 GLU HA H 4.12 0.02 1 82 32 7 GLU CB C 29.6 0.05 1 83 32 7 GLU HB2 H 2.13 0.02 1 84 32 7 GLU HB3 H 2.13 0.02 1 85 32 7 GLU CG C 36.7 0.05 1 86 32 7 GLU HG2 H 2.43 0.02 1 87 32 7 GLU HG3 H 2.43 0.02 1 88 32 7 GLU C C 179.1 0.05 1 89 33 8 CYS N N 115.3 0.05 1 90 33 8 CYS H H 8.48 0.02 1 91 33 8 CYS CA C 59.6 0.05 1 92 33 8 CYS HA H 4.43 0.02 1 93 33 8 CYS CB C 27.1 0.05 1 94 33 8 CYS HB2 H 3.25 0.02 2 95 33 8 CYS HB3 H 3.18 0.02 2 96 33 8 CYS C C 175.5 0.05 1 97 34 9 LEU N N 119.0 0.05 1 98 34 9 LEU H H 7.71 0.02 1 99 34 9 LEU CA C 57.0 0.05 1 100 34 9 LEU HA H 3.43 0.02 1 101 34 9 LEU CB C 39.4 0.05 1 102 34 9 LEU HB2 H 1.60 0.02 2 103 34 9 LEU HB3 H 1.21 0.02 2 104 34 9 LEU CG C 28.0 0.05 1 105 34 9 LEU HG H 1.58 0.02 1 106 34 9 LEU HD1 H 0.91 0.02 2 107 34 9 LEU HD2 H 0.52 0.02 2 108 34 9 LEU CD1 C 25.8 0.05 1 109 34 9 LEU CD2 C 23.0 0.05 1 110 34 9 LEU C C 178.1 0.05 1 111 35 10 GLU N N 116.1 0.05 1 112 35 10 GLU H H 7.62 0.02 1 113 35 10 GLU CA C 56.7 0.05 1 114 35 10 GLU HA H 4.18 0.02 1 115 35 10 GLU CB C 30.0 0.05 1 116 35 10 GLU HB2 H 2.26 0.02 2 117 35 10 GLU HB3 H 2.01 0.02 2 118 35 10 GLU CG C 36.0 0.05 1 119 35 10 GLU HG2 H 2.42 0.02 2 120 35 10 GLU HG3 H 2.34 0.02 2 121 35 10 GLU C C 177.0 0.05 1 122 36 11 LYS N N 120.3 0.05 1 123 36 11 LYS H H 7.83 0.02 1 124 36 11 LYS CA C 56.0 0.05 1 125 36 11 LYS HA H 4.47 0.02 1 126 36 11 LYS CB C 33.5 0.05 1 127 36 11 LYS HB2 H 2.27 0.02 2 128 36 11 LYS HB3 H 1.95 0.02 2 129 36 11 LYS CG C 25.7 0.05 1 130 36 11 LYS HG2 H 1.67 0.02 2 131 36 11 LYS HG3 H 1.53 0.02 2 132 36 11 LYS CD C 29.5 0.05 1 133 36 11 LYS HD2 H 1.80 0.02 1 134 36 11 LYS HD3 H 1.80 0.02 1 135 36 11 LYS CE C 42.7 0.05 1 136 36 11 LYS HE2 H 3.05 0.02 1 137 36 11 LYS HE3 H 3.05 0.02 1 138 36 11 LYS C C 176.6 0.05 1 139 37 12 LYS N N 124.4 0.05 1 140 37 12 LYS H H 8.50 0.02 1 141 37 12 LYS CA C 57.4 0.05 1 142 37 12 LYS HA H 4.44 0.02 1 143 37 12 LYS CB C 33.6 0.05 1 144 37 12 LYS HB2 H 1.92 0.02 2 145 37 12 LYS HB3 H 1.86 0.02 2 146 37 12 LYS CG C 25.1 0.05 1 147 37 12 LYS HG2 H 1.65 0.02 1 148 37 12 LYS HG3 H 1.65 0.02 1 149 37 12 LYS CD C 29.2 0.05 1 150 37 12 LYS HD2 H 1.80 0.02 1 151 37 12 LYS HD3 H 1.80 0.02 1 152 37 12 LYS CE C 42.4 0.05 1 153 37 12 LYS HE2 H 3.06 0.02 1 154 37 12 LYS HE3 H 3.06 0.02 1 155 37 12 LYS C C 176.2 0.05 1 156 38 13 VAL N N 123.1 0.05 1 157 38 13 VAL H H 8.33 0.02 1 158 38 13 VAL CA C 61.0 0.05 1 159 38 13 VAL HA H 4.22 0.02 1 160 38 13 VAL CB C 35.5 0.05 1 161 38 13 VAL HB H 1.47 0.02 1 162 38 13 VAL HG1 H -0.06 0.02 2 163 38 13 VAL HG2 H 0.44 0.02 2 164 38 13 VAL CG1 C 23.1 0.05 1 165 38 13 VAL CG2 C 22.1 0.05 1 166 38 13 VAL C C 174.5 0.05 1 167 39 14 ASP N N 126.8 0.05 1 168 39 14 ASP H H 8.47 0.02 1 169 39 14 ASP CA C 51.1 0.05 1 170 39 14 ASP HA H 5.13 0.02 1 171 39 14 ASP CB C 41.6 0.05 1 172 39 14 ASP HB2 H 2.45 0.02 1 173 39 14 ASP HB3 H 2.45 0.02 1 174 39 14 ASP C C 177.0 0.05 1 175 40 15 MET N N 121.5 0.05 1 176 40 15 MET H H 9.85 0.02 1 177 40 15 MET CA C 55.0 0.05 1 178 40 15 MET HA H 4.53 0.02 1 179 40 15 MET CB C 29.4 0.05 1 180 40 15 MET HB2 H 2.43 0.02 1 181 40 15 MET HB3 H 2.43 0.02 1 182 40 15 MET CG C 32.5 0.05 1 183 40 15 MET HG2 H 3.39 0.02 1 184 40 15 MET HG3 H 3.39 0.02 1 185 40 15 MET HE H 2.17 0.02 1 186 40 15 MET CE C 15.2 0.05 1 187 40 15 MET C C 179.9 0.05 1 188 41 16 SER N N 116.8 0.05 1 189 41 16 SER H H 9.01 0.02 1 190 41 16 SER CA C 61.3 0.05 1 191 41 16 SER HA H 4.51 0.02 1 192 41 16 SER CB C 62.9 0.05 1 193 41 16 SER HB2 H 4.09 0.02 2 194 41 16 SER HB3 H 3.99 0.02 2 195 41 16 SER C C 175.8 0.05 1 196 42 17 LYS N N 120.9 0.05 1 197 42 17 LYS H H 7.89 0.02 1 198 42 17 LYS CA C 55.3 0.05 1 199 42 17 LYS HA H 4.41 0.02 1 200 42 17 LYS CB C 33.2 0.05 1 201 42 17 LYS HB2 H 2.44 0.02 2 202 42 17 LYS HB3 H 1.99 0.02 2 203 42 17 LYS CG C 25.6 0.05 1 204 42 17 LYS HG2 H 1.46 0.02 2 205 42 17 LYS HG3 H 1.34 0.02 2 206 42 17 LYS CD C 29.3 0.05 1 207 42 17 LYS HD2 H 1.75 0.02 1 208 42 17 LYS HD3 H 1.75 0.02 1 209 42 17 LYS CE C 42.3 0.05 1 210 42 17 LYS HE2 H 3.06 0.02 1 211 42 17 LYS HE3 H 3.06 0.02 1 212 42 17 LYS C C 174.3 0.05 1 213 43 18 VAL N N 118.4 0.05 1 214 43 18 VAL H H 7.32 0.02 1 215 43 18 VAL CA C 61.2 0.05 1 216 43 18 VAL HA H 3.98 0.02 1 217 43 18 VAL CB C 35.4 0.05 1 218 43 18 VAL HB H 2.06 0.02 1 219 43 18 VAL HG1 H 0.90 0.02 2 220 43 18 VAL HG2 H 0.64 0.02 2 221 43 18 VAL CG1 C 21.6 0.05 1 222 43 18 VAL CG2 C 21.1 0.05 1 223 43 18 VAL C C 174.3 0.05 1 224 44 19 ASN N N 125.4 0.05 1 225 44 19 ASN H H 9.30 0.02 1 226 44 19 ASN CA C 51.2 0.05 1 227 44 19 ASN HA H 4.89 0.02 1 228 44 19 ASN CB C 36.8 0.05 1 229 44 19 ASN HB2 H 3.12 0.02 2 230 44 19 ASN HB3 H 2.82 0.02 2 231 44 19 ASN ND2 N 110.4 0.05 1 232 44 19 ASN HD21 H 7.48 0.02 2 233 44 19 ASN HD22 H 7.06 0.02 2 234 44 19 ASN C C 174.9 0.05 1 235 45 20 LEU N N 125.5 0.05 1 236 45 20 LEU H H 8.32 0.02 1 237 45 20 LEU CA C 57.1 0.05 1 238 45 20 LEU HA H 3.89 0.02 1 239 45 20 LEU CB C 41.7 0.05 1 240 45 20 LEU HB2 H 1.85 0.02 2 241 45 20 LEU HB3 H 1.52 0.02 2 242 45 20 LEU CG C 27.4 0.05 1 243 45 20 LEU HG H 1.47 0.02 1 244 45 20 LEU HD1 H 0.85 0.02 2 245 45 20 LEU HD2 H 0.87 0.02 2 246 45 20 LEU CD1 C 25.4 0.05 1 247 45 20 LEU CD2 C 23.3 0.05 1 248 45 20 LEU C C 178.3 0.05 1 249 46 21 GLU N N 116.1 0.05 1 250 46 21 GLU H H 8.16 0.02 1 251 46 21 GLU CA C 59.4 0.05 1 252 46 21 GLU HA H 3.84 0.02 1 253 46 21 GLU CB C 29.1 0.05 1 254 46 21 GLU HB2 H 2.21 0.02 1 255 46 21 GLU HB3 H 2.21 0.02 1 256 46 21 GLU CG C 36.5 0.05 1 257 46 21 GLU HG2 H 2.36 0.02 1 258 46 21 GLU HG3 H 2.36 0.02 1 259 46 21 GLU C C 179.2 0.05 1 260 47 22 VAL N N 112.7 0.05 1 261 47 22 VAL H H 7.19 0.02 1 262 47 22 VAL CA C 63.4 0.05 1 263 47 22 VAL HA H 4.20 0.02 1 264 47 22 VAL CB C 32.0 0.05 1 265 47 22 VAL HB H 2.32 0.02 1 266 47 22 VAL HG1 H 1.19 0.02 2 267 47 22 VAL HG2 H 1.14 0.02 2 268 47 22 VAL CG1 C 21.9 0.05 1 269 47 22 VAL CG2 C 21.5 0.05 1 270 47 22 VAL C C 176.2 0.05 1 271 48 23 ILE N N 119.0 0.05 1 272 48 23 ILE H H 7.46 0.02 1 273 48 23 ILE CA C 61.5 0.05 1 274 48 23 ILE HA H 4.36 0.02 1 275 48 23 ILE CB C 38.9 0.05 1 276 48 23 ILE HB H 2.07 0.02 1 277 48 23 ILE HG2 H 1.05 0.02 1 278 48 23 ILE CG2 C 17.7 0.05 1 279 48 23 ILE CG1 C 28.7 0.05 1 280 48 23 ILE HG12 H 1.61 0.02 2 281 48 23 ILE HG13 H 1.23 0.02 2 282 48 23 ILE HD1 H 0.58 0.02 1 283 48 23 ILE CD1 C 12.9 0.05 1 284 48 23 ILE C C 177.1 0.05 1 285 49 24 LYS N N 121.3 0.05 1 286 49 24 LYS H H 7.95 0.02 1 287 49 24 LYS CA C 63.2 0.05 1 288 49 24 LYS HA H 4.12 0.02 1 289 49 24 LYS CB C 30.7 0.05 1 290 49 24 LYS HB2 H 1.79 0.02 1 291 49 24 LYS HB3 H 1.79 0.02 1 292 49 24 LYS CG C 26.5 0.05 1 293 49 24 LYS HG2 H 1.47 0.02 2 294 49 24 LYS HG3 H 0.12 0.02 2 295 49 24 LYS CD C 29.5 0.05 1 296 49 24 LYS HD2 H 1.32 0.02 2 297 49 24 LYS HD3 H 1.03 0.02 2 298 49 24 LYS CE C 41.5 0.05 1 299 49 24 LYS HE2 H 2.10 0.02 2 300 49 24 LYS HE3 H 1.85 0.02 2 301 50 25 PRO CD C 50.9 0.05 1 302 50 25 PRO CA C 66.0 0.05 1 303 50 25 PRO HA H 4.52 0.02 1 304 50 25 PRO CB C 31.3 0.05 1 305 50 25 PRO HB2 H 2.46 0.02 2 306 50 25 PRO HB3 H 1.97 0.02 2 307 50 25 PRO CG C 28.5 0.05 1 308 50 25 PRO HG2 H 2.19 0.02 2 309 50 25 PRO HG3 H 2.04 0.02 2 310 50 25 PRO HD2 H 3.80 0.02 2 311 50 25 PRO HD3 H 3.67 0.02 2 312 50 25 PRO C C 179.4 0.05 1 313 51 26 TRP N N 119.5 0.05 1 314 51 26 TRP H H 7.60 0.02 1 315 51 26 TRP CA C 62.2 0.05 1 316 51 26 TRP HA H 4.20 0.02 1 317 51 26 TRP CB C 29.1 0.05 1 318 51 26 TRP HB2 H 3.88 0.02 2 319 51 26 TRP HB3 H 3.44 0.02 2 320 51 26 TRP CD1 C 126.9 0.05 1 321 51 26 TRP NE1 N 129.2 0.05 1 322 51 26 TRP HD1 H 7.43 0.02 1 323 51 26 TRP CZ2 C 114.7 0.05 1 324 51 26 TRP HE1 H 10.39 0.02 1 325 51 26 TRP CH2 C 123.0 0.05 1 326 51 26 TRP HZ2 H 7.64 0.02 1 327 51 26 TRP HH2 H 6.78 0.02 1 328 51 26 TRP C C 177.7 0.05 1 329 52 27 ILE N N 119.4 0.05 1 330 52 27 ILE H H 8.40 0.02 1 331 52 27 ILE CA C 66.6 0.05 1 332 52 27 ILE HA H 3.55 0.02 1 333 52 27 ILE CB C 38.5 0.05 1 334 52 27 ILE HB H 2.68 0.02 1 335 52 27 ILE HG2 H 1.19 0.02 1 336 52 27 ILE CG2 C 18.0 0.05 1 337 52 27 ILE CG1 C 30.3 0.05 1 338 52 27 ILE HG12 H 2.67 0.02 2 339 52 27 ILE HG13 H 1.57 0.02 2 340 52 27 ILE HD1 H 1.24 0.02 1 341 52 27 ILE CD1 C 14.9 0.05 1 342 52 27 ILE C C 177.2 0.05 1 343 53 28 THR N N 114.9 0.05 1 344 53 28 THR H H 8.57 0.02 1 345 53 28 THR CA C 67.3 0.05 1 346 53 28 THR HA H 3.63 0.02 1 347 53 28 THR CB C 68.6 0.05 1 348 53 28 THR HB H 4.28 0.02 1 349 53 28 THR HG2 H 1.24 0.02 1 350 53 28 THR CG2 C 21.5 0.05 1 351 53 28 THR C C 176.6 0.05 1 352 54 29 LYS N N 123.4 0.05 1 353 54 29 LYS H H 7.90 0.02 1 354 54 29 LYS CA C 59.4 0.05 1 355 54 29 LYS HA H 3.94 0.02 1 356 54 29 LYS CB C 32.5 0.05 1 357 54 29 LYS HB2 H 1.86 0.02 1 358 54 29 LYS HB3 H 1.86 0.02 1 359 54 29 LYS CG C 24.7 0.05 1 360 54 29 LYS HG2 H 1.45 0.02 2 361 54 29 LYS HG3 H 1.27 0.02 2 362 54 29 LYS CD C 29.5 0.05 1 363 54 29 LYS HD2 H 1.66 0.02 1 364 54 29 LYS HD3 H 1.66 0.02 1 365 54 29 LYS CE C 42.2 0.05 1 366 54 29 LYS HE2 H 2.99 0.02 1 367 54 29 LYS HE3 H 2.99 0.02 1 368 54 29 LYS C C 178.2 0.05 1 369 55 30 ARG N N 120.0 0.05 1 370 55 30 ARG H H 8.45 0.02 1 371 55 30 ARG CA C 57.4 0.05 1 372 55 30 ARG HA H 4.01 0.02 1 373 55 30 ARG CB C 29.1 0.05 1 374 55 30 ARG HB2 H 1.39 0.02 1 375 55 30 ARG HB3 H 1.39 0.02 1 376 55 30 ARG CG C 26.7 0.05 1 377 55 30 ARG HG2 H 1.00 0.02 1 378 55 30 ARG HG3 H 1.00 0.02 1 379 55 30 ARG CD C 41.7 0.05 1 380 55 30 ARG HD2 H 3.37 0.02 2 381 55 30 ARG HD3 H 2.97 0.02 2 382 55 30 ARG C C 179.1 0.05 1 383 56 31 VAL N N 117.6 0.05 1 384 56 31 VAL H H 8.60 0.02 1 385 56 31 VAL CA C 67.4 0.05 1 386 56 31 VAL HA H 3.26 0.02 1 387 56 31 VAL CB C 31.2 0.05 1 388 56 31 VAL HB H 1.86 0.02 1 389 56 31 VAL HG1 H 0.59 0.02 2 390 56 31 VAL HG2 H 0.74 0.02 2 391 56 31 VAL CG1 C 24.4 0.05 1 392 56 31 VAL CG2 C 21.9 0.05 1 393 56 31 VAL C C 177.2 0.05 1 394 57 32 THR N N 116.0 0.05 1 395 57 32 THR H H 7.53 0.02 1 396 57 32 THR CA C 66.3 0.05 1 397 57 32 THR HA H 3.87 0.02 1 398 57 32 THR CB C 67.9 0.05 1 399 57 32 THR HB H 4.26 0.02 1 400 57 32 THR HG2 H 0.98 0.02 1 401 57 32 THR CG2 C 20.7 0.05 1 402 57 32 THR C C 177.4 0.05 1 403 58 33 GLU N N 122.4 0.05 1 404 58 33 GLU H H 8.11 0.02 1 405 58 33 GLU CA C 59.2 0.05 1 406 58 33 GLU HA H 3.94 0.02 1 407 58 33 GLU CB C 29.9 0.05 1 408 58 33 GLU HB2 H 2.34 0.02 2 409 58 33 GLU HB3 H 2.00 0.02 2 410 58 33 GLU CG C 36.4 0.05 1 411 58 33 GLU HG2 H 2.52 0.02 2 412 58 33 GLU HG3 H 2.23 0.02 2 413 58 33 GLU C C 178.9 0.05 1 414 59 34 ILE N N 119.2 0.05 1 415 59 34 ILE H H 8.07 0.02 1 416 59 34 ILE CA C 65.1 0.05 1 417 59 34 ILE HA H 3.75 0.02 1 418 59 34 ILE CB C 39.0 0.05 1 419 59 34 ILE HB H 1.77 0.02 1 420 59 34 ILE HG2 H 0.91 0.02 1 421 59 34 ILE CG2 C 17.4 0.05 1 422 59 34 ILE CG1 C 29.2 0.05 1 423 59 34 ILE HG12 H 2.02 0.02 2 424 59 34 ILE HG13 H 1.08 0.02 2 425 59 34 ILE HD1 H 0.86 0.02 1 426 59 34 ILE CD1 C 14.6 0.05 1 427 59 34 ILE C C 177.9 0.05 1 428 60 35 LEU N N 116.2 0.05 1 429 60 35 LEU H H 8.46 0.02 1 430 60 35 LEU CA C 55.8 0.05 1 431 60 35 LEU HA H 4.32 0.02 1 432 60 35 LEU CB C 42.9 0.05 1 433 60 35 LEU HB2 H 1.85 0.02 1 434 60 35 LEU HB3 H 1.85 0.02 1 435 60 35 LEU CG C 27.1 0.05 1 436 60 35 LEU HG H 1.56 0.02 1 437 60 35 LEU HD1 H 0.75 0.02 2 438 60 35 LEU HD2 H 0.99 0.02 2 439 60 35 LEU CD1 C 26.6 0.05 1 440 60 35 LEU CD2 C 22.8 0.05 1 441 60 35 LEU C C 178.4 0.05 1 442 61 36 GLY N N 107.0 0.05 1 443 61 36 GLY H H 8.29 0.02 1 444 61 36 GLY CA C 45.1 0.05 1 445 61 36 GLY HA2 H 4.46 0.02 2 446 61 36 GLY HA3 H 3.83 0.02 2 447 61 36 GLY C C 173.1 0.05 1 448 62 37 PHE N N 115.2 0.05 1 449 62 37 PHE H H 7.47 0.02 1 450 62 37 PHE CA C 55.3 0.05 1 451 62 37 PHE HA H 4.74 0.02 1 452 62 37 PHE CB C 40.0 0.05 1 453 62 37 PHE HB2 H 3.07 0.02 2 454 62 37 PHE HB3 H 3.33 0.02 2 455 62 37 PHE HD1 H 7.01 0.02 1 456 62 37 PHE HD2 H 7.01 0.02 1 457 62 37 PHE HE1 H 7.42 0.02 1 458 62 37 PHE HE2 H 7.42 0.02 1 459 62 37 PHE CD1 C 132.6 0.05 1 460 62 37 PHE CE1 C 131.3 0.05 1 461 62 37 PHE CE2 C 131.3 0.05 1 462 62 37 PHE CD2 C 132.6 0.05 1 463 62 37 PHE C C 172.1 0.05 1 464 63 38 GLU N N 121.4 0.05 1 465 63 38 GLU H H 8.78 0.02 1 466 63 38 GLU CA C 55.8 0.05 1 467 63 38 GLU HA H 4.06 0.02 1 468 63 38 GLU CB C 29.4 0.05 1 469 63 38 GLU HB2 H 2.06 0.02 1 470 63 38 GLU HB3 H 2.06 0.02 1 471 63 38 GLU CG C 36.5 0.05 1 472 63 38 GLU HG2 H 2.03 0.02 2 473 63 38 GLU HG3 H 1.97 0.02 2 474 63 38 GLU C C 174.2 0.05 1 475 64 39 ASP N N 126.4 0.05 1 476 64 39 ASP H H 6.72 0.02 1 477 64 39 ASP CA C 53.1 0.05 1 478 64 39 ASP HA H 4.64 0.02 1 479 64 39 ASP CB C 41.8 0.05 1 480 64 39 ASP HB2 H 2.50 0.02 2 481 64 39 ASP HB3 H 1.95 0.02 2 482 64 39 ASP C C 175.4 0.05 1 483 65 40 ASP N N 124.9 0.05 1 484 65 40 ASP H H 8.59 0.02 1 485 65 40 ASP CA C 56.9 0.05 1 486 65 40 ASP HA H 4.28 0.02 1 487 65 40 ASP CB C 40.8 0.05 1 488 65 40 ASP HB2 H 2.78 0.02 2 489 65 40 ASP HB3 H 2.66 0.02 2 490 65 40 ASP C C 177.7 0.05 1 491 66 41 VAL N N 120.6 0.05 1 492 66 41 VAL H H 8.01 0.02 1 493 66 41 VAL CA C 66.2 0.05 1 494 66 41 VAL HA H 3.65 0.02 1 495 66 41 VAL CB C 31.3 0.05 1 496 66 41 VAL HB H 2.28 0.02 1 497 66 41 VAL HG1 H 1.08 0.02 2 498 66 41 VAL HG2 H 0.89 0.02 2 499 66 41 VAL CG1 C 22.7 0.05 1 500 66 41 VAL CG2 C 20.9 0.05 1 501 66 41 VAL C C 178.9 0.05 1 502 67 42 VAL N N 120.4 0.05 1 503 67 42 VAL H H 7.15 0.02 1 504 67 42 VAL CA C 65.7 0.05 1 505 67 42 VAL HA H 2.96 0.02 1 506 67 42 VAL CB C 31.7 0.05 1 507 67 42 VAL HB H 1.72 0.02 1 508 67 42 VAL HG1 H 0.56 0.02 2 509 67 42 VAL HG2 H 0.64 0.02 2 510 67 42 VAL CG1 C 22.8 0.05 1 511 67 42 VAL CG2 C 21.5 0.05 1 512 67 42 VAL C C 177.1 0.05 1 513 68 43 ILE N N 119.2 0.05 1 514 68 43 ILE H H 7.72 0.02 1 515 68 43 ILE CA C 66.2 0.05 1 516 68 43 ILE HA H 3.06 0.02 1 517 68 43 ILE CB C 37.7 0.05 1 518 68 43 ILE HB H 1.45 0.02 1 519 68 43 ILE HG2 H 0.23 0.02 1 520 68 43 ILE CG2 C 18.8 0.05 1 521 68 43 ILE CG1 C 30.7 0.05 1 522 68 43 ILE HG12 H 1.59 0.02 2 523 68 43 ILE HG13 H 0.65 0.02 2 524 68 43 ILE HD1 H 0.78 0.02 1 525 68 43 ILE CD1 C 14.6 0.05 1 526 68 43 ILE C C 176.2 0.05 1 527 69 44 GLU N N 116.8 0.05 1 528 69 44 GLU H H 8.01 0.02 1 529 69 44 GLU CA C 59.3 0.05 1 530 69 44 GLU HA H 3.78 0.02 1 531 69 44 GLU CB C 29.0 0.05 1 532 69 44 GLU HB2 H 2.12 0.02 2 533 69 44 GLU HB3 H 2.06 0.02 2 534 69 44 GLU CG C 36.3 0.05 1 535 69 44 GLU HG2 H 2.44 0.02 2 536 69 44 GLU HG3 H 2.37 0.02 2 537 69 44 GLU C C 178.7 0.05 1 538 70 45 PHE N N 119.3 0.05 1 539 70 45 PHE H H 7.67 0.02 1 540 70 45 PHE CA C 61.6 0.05 1 541 70 45 PHE HA H 4.34 0.02 1 542 70 45 PHE CB C 38.6 0.05 1 543 70 45 PHE HB2 H 3.19 0.02 1 544 70 45 PHE HB3 H 3.19 0.02 1 545 70 45 PHE HD1 H 7.26 0.02 1 546 70 45 PHE HD2 H 7.26 0.02 1 547 70 45 PHE HE1 H 7.22 0.02 1 548 70 45 PHE HE2 H 7.22 0.02 1 549 70 45 PHE CD1 C 132.4 0.05 1 550 70 45 PHE CE1 C 131.2 0.05 1 551 70 45 PHE CZ C 131.4 0.05 1 552 70 45 PHE HZ H 7.11 0.02 1 553 70 45 PHE CE2 C 131.2 0.05 1 554 70 45 PHE CD2 C 132.4 0.05 1 555 70 45 PHE C C 178.1 0.05 1 556 71 46 ILE N N 120.1 0.05 1 557 71 46 ILE H H 8.11 0.02 1 558 71 46 ILE CA C 66.7 0.05 1 559 71 46 ILE HA H 3.36 0.02 1 560 71 46 ILE CB C 37.7 0.05 1 561 71 46 ILE HB H 2.05 0.02 1 562 71 46 ILE HG2 H 1.19 0.02 1 563 71 46 ILE CG2 C 18.6 0.05 1 564 71 46 ILE CG1 C 30.9 0.05 1 565 71 46 ILE HG12 H 2.23 0.02 2 566 71 46 ILE HG13 H 0.92 0.02 2 567 71 46 ILE HD1 H 0.60 0.02 1 568 71 46 ILE CD1 C 15.3 0.05 1 569 71 46 ILE C C 177.8 0.05 1 570 72 47 PHE N N 117.5 0.05 1 571 72 47 PHE H H 8.64 0.02 1 572 72 47 PHE CA C 58.3 0.05 1 573 72 47 PHE HA H 4.40 0.02 1 574 72 47 PHE CB C 36.5 0.05 1 575 72 47 PHE HB2 H 3.48 0.02 2 576 72 47 PHE HB3 H 3.38 0.02 2 577 72 47 PHE HD1 H 7.20 0.02 1 578 72 47 PHE HD2 H 7.20 0.02 1 579 72 47 PHE HE1 H 7.33 0.02 1 580 72 47 PHE HE2 H 7.33 0.02 1 581 72 47 PHE CD1 C 129.1 0.05 1 582 72 47 PHE CE1 C 131.6 0.05 1 583 72 47 PHE CE2 C 131.6 0.05 1 584 72 47 PHE CD2 C 129.1 0.05 1 585 72 47 PHE C C 178.6 0.05 1 586 73 48 ASN N N 116.1 0.05 1 587 73 48 ASN H H 8.64 0.02 1 588 73 48 ASN CA C 56.4 0.05 1 589 73 48 ASN HA H 4.55 0.02 1 590 73 48 ASN CB C 38.8 0.05 1 591 73 48 ASN HB2 H 3.02 0.02 2 592 73 48 ASN HB3 H 2.77 0.02 2 593 73 48 ASN ND2 N 112.3 0.05 1 594 73 48 ASN HD21 H 7.74 0.02 2 595 73 48 ASN HD22 H 7.11 0.02 2 596 73 48 ASN C C 179.1 0.05 1 597 74 49 GLN N N 118.7 0.05 1 598 74 49 GLN H H 8.04 0.02 1 599 74 49 GLN CA C 57.4 0.05 1 600 74 49 GLN HA H 4.04 0.02 1 601 74 49 GLN CB C 28.4 0.05 1 602 74 49 GLN HB2 H 2.39 0.02 2 603 74 49 GLN HB3 H 2.25 0.02 2 604 74 49 GLN CG C 34.8 0.05 1 605 74 49 GLN HG2 H 2.18 0.02 2 606 74 49 GLN HG3 H 1.83 0.02 2 607 74 49 GLN NE2 N 115.3 0.05 1 608 74 49 GLN HE21 H 6.88 0.02 2 609 74 49 GLN HE22 H 6.65 0.02 2 610 74 49 GLN C C 176.8 0.05 1 611 75 50 LEU N N 114.6 0.05 1 612 75 50 LEU H H 7.55 0.02 1 613 75 50 LEU CA C 54.3 0.05 1 614 75 50 LEU HA H 4.53 0.02 1 615 75 50 LEU CB C 42.4 0.05 1 616 75 50 LEU HB2 H 2.04 0.02 1 617 75 50 LEU HB3 H 2.04 0.02 1 618 75 50 LEU CG C 26.6 0.05 1 619 75 50 LEU HG H 2.15 0.02 1 620 75 50 LEU HD1 H 1.03 0.02 1 621 75 50 LEU HD2 H 1.03 0.02 1 622 75 50 LEU CD1 C 27.3 0.05 1 623 75 50 LEU CD2 C 22.8 0.05 1 624 75 50 LEU C C 176.1 0.05 1 625 76 51 GLU N N 119.1 0.05 1 626 76 51 GLU H H 7.34 0.02 1 627 76 51 GLU CA C 56.5 0.05 1 628 76 51 GLU HA H 4.32 0.02 1 629 76 51 GLU CB C 29.3 0.05 1 630 76 51 GLU HB2 H 2.26 0.02 2 631 76 51 GLU HB3 H 2.07 0.02 2 632 76 51 GLU CG C 36.6 0.05 1 633 76 51 GLU HG2 H 2.62 0.02 2 634 76 51 GLU HG3 H 2.26 0.02 2 635 76 51 GLU C C 176.8 0.05 1 636 77 52 VAL N N 114.7 0.05 1 637 77 52 VAL H H 7.11 0.02 1 638 77 52 VAL CA C 60.1 0.05 1 639 77 52 VAL HA H 4.30 0.02 1 640 77 52 VAL CB C 33.2 0.05 1 641 77 52 VAL HB H 2.25 0.02 1 642 77 52 VAL HG1 H 0.99 0.02 2 643 77 52 VAL HG2 H 0.87 0.02 2 644 77 52 VAL CG1 C 21.6 0.05 1 645 77 52 VAL CG2 C 19.0 0.05 1 646 77 52 VAL C C 174.5 0.05 1 647 78 53 LYS N N 121.0 0.05 1 648 78 53 LYS H H 8.16 0.02 1 649 78 53 LYS CA C 60.4 0.05 1 650 78 53 LYS HA H 4.03 0.02 1 651 78 53 LYS CB C 33.1 0.05 1 652 78 53 LYS HB2 H 1.92 0.02 1 653 78 53 LYS HB3 H 1.92 0.02 1 654 78 53 LYS CG C 25.7 0.05 1 655 78 53 LYS HG2 H 1.58 0.02 1 656 78 53 LYS HG3 H 1.58 0.02 1 657 78 53 LYS CD C 29.5 0.05 1 658 78 53 LYS HD2 H 1.79 0.02 1 659 78 53 LYS HD3 H 1.79 0.02 1 660 78 53 LYS CE C 42.4 0.05 1 661 78 53 LYS HE2 H 3.11 0.02 1 662 78 53 LYS HE3 H 3.11 0.02 1 663 78 53 LYS C C 176.7 0.05 1 664 79 54 ASN N N 112.7 0.05 1 665 79 54 ASN H H 8.30 0.02 1 666 79 54 ASN CA C 49.7 0.05 1 667 79 54 ASN HA H 5.99 0.02 1 668 79 54 ASN CB C 40.6 0.05 1 669 79 54 ASN HB2 H 2.92 0.02 2 670 79 54 ASN HB3 H 2.79 0.02 2 671 79 54 ASN ND2 N 111.5 0.05 1 672 79 54 ASN HD21 H 7.98 0.02 2 673 79 54 ASN HD22 H 7.39 0.02 2 674 80 55 PRO CD C 51.0 0.05 1 675 80 55 PRO CA C 63.3 0.05 1 676 80 55 PRO HA H 4.38 0.02 1 677 80 55 PRO CB C 32.2 0.05 1 678 80 55 PRO HB2 H 2.67 0.02 2 679 80 55 PRO HB3 H 2.05 0.02 2 680 80 55 PRO CG C 27.7 0.05 1 681 80 55 PRO HG2 H 2.19 0.02 1 682 80 55 PRO HG3 H 2.19 0.02 1 683 80 55 PRO HD2 H 3.92 0.02 2 684 80 55 PRO HD3 H 3.79 0.02 2 685 80 55 PRO C C 175.3 0.05 1 686 81 56 ASP N N 122.5 0.05 1 687 81 56 ASP H H 8.62 0.02 1 688 81 56 ASP CA C 52.5 0.05 1 689 81 56 ASP HA H 4.88 0.02 1 690 81 56 ASP CB C 41.6 0.05 1 691 81 56 ASP HB2 H 3.12 0.02 2 692 81 56 ASP HB3 H 2.63 0.02 2 693 81 56 ASP C C 176.4 0.05 1 694 82 57 SER N N 122.7 0.05 1 695 82 57 SER H H 8.53 0.02 1 696 82 57 SER CA C 60.2 0.05 1 697 82 57 SER HA H 3.41 0.02 1 698 82 57 SER CB C 59.8 0.05 1 699 82 57 SER HB2 H 2.60 0.02 2 700 82 57 SER HB3 H 1.75 0.02 2 701 82 57 SER C C 175.8 0.05 1 702 83 58 LYS N N 123.2 0.05 1 703 83 58 LYS H H 7.52 0.02 1 704 83 58 LYS CA C 59.7 0.05 1 705 83 58 LYS HA H 3.76 0.02 1 706 83 58 LYS CB C 31.5 0.05 1 707 83 58 LYS HB2 H 1.66 0.02 2 708 83 58 LYS HB3 H 1.36 0.02 2 709 83 58 LYS CG C 25.7 0.05 1 710 83 58 LYS HG2 H 1.12 0.02 2 711 83 58 LYS HG3 H 0.31 0.02 2 712 83 58 LYS CD C 28.9 0.05 1 713 83 58 LYS HD2 H 1.22 0.02 2 714 83 58 LYS HD3 H 1.12 0.02 2 715 83 58 LYS CE C 41.7 0.05 1 716 83 58 LYS HE2 H 2.49 0.02 1 717 83 58 LYS HE3 H 2.49 0.02 1 718 83 58 LYS C C 179.1 0.05 1 719 84 59 MET N N 118.3 0.05 1 720 84 59 MET H H 7.93 0.02 1 721 84 59 MET CA C 56.9 0.05 1 722 84 59 MET HA H 4.40 0.02 1 723 84 59 MET CB C 31.3 0.05 1 724 84 59 MET HB2 H 2.11 0.02 2 725 84 59 MET HB3 H 2.06 0.02 2 726 84 59 MET CG C 32.2 0.05 1 727 84 59 MET HG2 H 2.76 0.02 2 728 84 59 MET HG3 H 2.71 0.02 2 729 84 59 MET HE H 2.18 0.02 1 730 84 59 MET CE C 16.9 0.05 1 731 84 59 MET C C 179.4 0.05 1 732 85 60 MET N N 119.5 0.05 1 733 85 60 MET H H 8.54 0.02 1 734 85 60 MET CA C 60.8 0.05 1 735 85 60 MET HA H 4.30 0.02 1 736 85 60 MET CB C 32.5 0.05 1 737 85 60 MET HB2 H 2.40 0.02 1 738 85 60 MET HB3 H 2.40 0.02 1 739 85 60 MET CG C 34.2 0.05 1 740 85 60 MET HG2 H 2.98 0.02 2 741 85 60 MET HG3 H 2.64 0.02 2 742 85 60 MET HE H 2.25 0.02 1 743 85 60 MET CE C 17.7 0.05 1 744 85 60 MET C C 178.2 0.05 1 745 86 61 GLN N N 118.8 0.05 1 746 86 61 GLN H H 8.32 0.02 1 747 86 61 GLN CA C 61.2 0.05 1 748 86 61 GLN HA H 3.87 0.02 1 749 86 61 GLN CB C 29.3 0.05 1 750 86 61 GLN HB2 H 2.43 0.02 1 751 86 61 GLN HB3 H 2.43 0.02 1 752 86 61 GLN CG C 34.7 0.05 1 753 86 61 GLN HG2 H 2.26 0.02 2 754 86 61 GLN HG3 H 2.01 0.02 2 755 86 61 GLN NE2 N 110.6 0.05 1 756 86 61 GLN HE21 H 7.42 0.02 2 757 86 61 GLN HE22 H 6.75 0.02 2 758 86 61 GLN C C 179.5 0.05 1 759 87 62 ILE N N 121.4 0.05 1 760 87 62 ILE H H 8.58 0.02 1 761 87 62 ILE CA C 65.7 0.05 1 762 87 62 ILE HA H 3.73 0.02 1 763 87 62 ILE CB C 38.4 0.05 1 764 87 62 ILE HB H 2.12 0.02 1 765 87 62 ILE HG2 H 0.98 0.02 1 766 87 62 ILE CG2 C 16.9 0.05 1 767 87 62 ILE CG1 C 29.7 0.05 1 768 87 62 ILE HG12 H 1.29 0.02 1 769 87 62 ILE HG13 H 1.29 0.02 1 770 87 62 ILE HD1 H 0.98 0.02 1 771 87 62 ILE CD1 C 13.5 0.05 1 772 87 62 ILE C C 179.7 0.05 1 773 88 63 ASN N N 119.9 0.05 1 774 88 63 ASN H H 9.05 0.02 1 775 88 63 ASN CA C 55.9 0.05 1 776 88 63 ASN HA H 4.60 0.02 1 777 88 63 ASN CB C 38.8 0.05 1 778 88 63 ASN HB2 H 3.13 0.02 2 779 88 63 ASN HB3 H 2.68 0.02 2 780 88 63 ASN ND2 N 112.0 0.05 1 781 88 63 ASN HD21 H 7.71 0.02 2 782 88 63 ASN HD22 H 7.19 0.02 2 783 88 63 ASN C C 178.6 0.05 1 784 89 64 LEU N N 118.7 0.05 1 785 89 64 LEU H H 9.01 0.02 1 786 89 64 LEU CA C 57.1 0.05 1 787 89 64 LEU HA H 4.38 0.02 1 788 89 64 LEU CB C 42.5 0.05 1 789 89 64 LEU HB2 H 2.23 0.02 1 790 89 64 LEU HB3 H 2.23 0.02 1 791 89 64 LEU CG C 27.7 0.05 1 792 89 64 LEU HG H 2.20 0.02 1 793 89 64 LEU HD1 H 1.13 0.02 2 794 89 64 LEU HD2 H 1.03 0.02 2 795 89 64 LEU CD1 C 25.9 0.05 1 796 89 64 LEU CD2 C 23.6 0.05 1 797 89 64 LEU C C 178.7 0.05 1 798 90 65 THR N N 120.1 0.05 1 799 90 65 THR H H 8.11 0.02 1 800 90 65 THR CA C 67.4 0.05 1 801 90 65 THR HA H 3.80 0.02 1 802 90 65 THR CB C 68.6 0.05 1 803 90 65 THR HB H 4.60 0.02 1 804 90 65 THR HG2 H 1.21 0.02 1 805 90 65 THR CG2 C 20.6 0.05 1 806 90 65 THR C C 175.8 0.05 1 807 91 66 GLY N N 107.5 0.05 1 808 91 66 GLY H H 7.58 0.02 1 809 91 66 GLY CA C 46.6 0.05 1 810 91 66 GLY HA2 H 3.85 0.02 2 811 91 66 GLY HA3 H 3.68 0.02 2 812 91 66 GLY C C 174.1 0.05 1 813 92 67 PHE N N 115.5 0.05 1 814 92 67 PHE H H 7.11 0.02 1 815 92 67 PHE CA C 58.9 0.05 1 816 92 67 PHE HA H 4.79 0.02 1 817 92 67 PHE CB C 41.8 0.05 1 818 92 67 PHE HB2 H 3.17 0.02 2 819 92 67 PHE HB3 H 2.72 0.02 2 820 92 67 PHE HD1 H 7.09 0.02 1 821 92 67 PHE HD2 H 7.09 0.02 1 822 92 67 PHE HE1 H 6.69 0.02 1 823 92 67 PHE HE2 H 6.69 0.02 1 824 92 67 PHE CD1 C 131.3 0.05 1 825 92 67 PHE CE1 C 131.2 0.05 1 826 92 67 PHE CE2 C 131.2 0.05 1 827 92 67 PHE CD2 C 131.3 0.05 1 828 92 67 PHE C C 176.7 0.05 1 829 93 68 LEU N N 114.9 0.05 1 830 93 68 LEU H H 8.46 0.02 1 831 93 68 LEU CA C 54.9 0.05 1 832 93 68 LEU HA H 4.55 0.02 1 833 93 68 LEU CB C 44.1 0.05 1 834 93 68 LEU HB2 H 1.83 0.02 2 835 93 68 LEU HB3 H 1.62 0.02 2 836 93 68 LEU CG C 27.0 0.05 1 837 93 68 LEU HG H 1.83 0.02 1 838 93 68 LEU HD1 H 0.68 0.02 2 839 93 68 LEU HD2 H 0.80 0.02 2 840 93 68 LEU CD1 C 25.9 0.05 1 841 93 68 LEU CD2 C 23.1 0.05 1 842 93 68 LEU C C 176.9 0.05 1 843 94 69 ASN N N 114.3 0.05 1 844 94 69 ASN H H 7.76 0.02 1 845 94 69 ASN CA C 54.4 0.05 1 846 94 69 ASN HA H 4.63 0.02 1 847 94 69 ASN CB C 38.0 0.05 1 848 94 69 ASN HB2 H 3.41 0.02 2 849 94 69 ASN HB3 H 3.17 0.02 2 850 94 69 ASN ND2 N 108.9 0.05 1 851 94 69 ASN HD21 H 7.45 0.02 2 852 94 69 ASN HD22 H 6.64 0.02 2 853 94 69 ASN C C 176.4 0.05 1 854 95 70 GLY N N 105.6 0.05 1 855 95 70 GLY H H 8.96 0.02 1 856 95 70 GLY CA C 48.2 0.05 1 857 95 70 GLY HA2 H 4.07 0.02 2 858 95 70 GLY HA3 H 3.90 0.02 2 859 95 70 GLY C C 176.2 0.05 1 860 96 71 LYS N N 125.2 0.05 1 861 96 71 LYS H H 8.36 0.02 1 862 96 71 LYS CA C 59.5 0.05 1 863 96 71 LYS HA H 4.14 0.02 1 864 96 71 LYS CB C 32.6 0.05 1 865 96 71 LYS HB2 H 1.97 0.02 1 866 96 71 LYS HB3 H 1.97 0.02 1 867 96 71 LYS CG C 24.8 0.05 1 868 96 71 LYS HG2 H 1.37 0.02 1 869 96 71 LYS HG3 H 1.37 0.02 1 870 96 71 LYS CD C 29.7 0.05 1 871 96 71 LYS HD2 H 1.75 0.02 1 872 96 71 LYS HD3 H 1.75 0.02 1 873 96 71 LYS CE C 42.4 0.05 1 874 96 71 LYS HE2 H 3.08 0.02 1 875 96 71 LYS HE3 H 3.08 0.02 1 876 96 71 LYS C C 178.7 0.05 1 877 97 72 ASN N N 116.8 0.05 1 878 97 72 ASN H H 8.97 0.02 1 879 97 72 ASN CA C 55.6 0.05 1 880 97 72 ASN HA H 4.62 0.02 1 881 97 72 ASN CB C 38.6 0.05 1 882 97 72 ASN HB2 H 2.98 0.02 2 883 97 72 ASN HB3 H 2.38 0.02 2 884 97 72 ASN C C 178.2 0.05 1 885 98 73 ALA N N 121.5 0.05 1 886 98 73 ALA H H 8.81 0.02 1 887 98 73 ALA CA C 56.2 0.05 1 888 98 73 ALA HA H 4.12 0.02 1 889 98 73 ALA HB H 1.58 0.02 1 890 98 73 ALA CB C 19.5 0.05 1 891 98 73 ALA C C 179.0 0.05 1 892 99 74 ARG N N 118.2 0.05 1 893 99 74 ARG H H 7.93 0.02 1 894 99 74 ARG CA C 59.6 0.05 1 895 99 74 ARG HA H 4.00 0.02 1 896 99 74 ARG CB C 30.3 0.05 1 897 99 74 ARG HB2 H 2.10 0.02 2 898 99 74 ARG HB3 H 1.97 0.02 2 899 99 74 ARG CG C 27.6 0.05 1 900 99 74 ARG HG2 H 1.82 0.02 2 901 99 74 ARG HG3 H 1.65 0.02 2 902 99 74 ARG CD C 43.8 0.05 1 903 99 74 ARG HD2 H 3.24 0.02 1 904 99 74 ARG HD3 H 3.24 0.02 1 905 99 74 ARG C C 179.6 0.05 1 906 100 75 GLU N N 120.6 0.05 1 907 100 75 GLU H H 8.41 0.02 1 908 100 75 GLU CA C 59.3 0.05 1 909 100 75 GLU HA H 4.16 0.02 1 910 100 75 GLU CB C 29.5 0.05 1 911 100 75 GLU HB2 H 2.26 0.02 1 912 100 75 GLU HB3 H 2.26 0.02 1 913 100 75 GLU CG C 36.6 0.05 1 914 100 75 GLU HG2 H 2.63 0.02 1 915 100 75 GLU HG3 H 2.63 0.02 1 916 100 75 GLU C C 179.4 0.05 1 917 101 76 PHE N N 119.3 0.05 1 918 101 76 PHE H H 9.04 0.02 1 919 101 76 PHE CA C 62.0 0.05 1 920 101 76 PHE HA H 4.43 0.02 1 921 101 76 PHE CB C 39.6 0.05 1 922 101 76 PHE HB2 H 3.25 0.02 2 923 101 76 PHE HB3 H 3.14 0.02 2 924 101 76 PHE HD1 H 7.09 0.02 1 925 101 76 PHE HD2 H 7.09 0.02 1 926 101 76 PHE C C 178.3 0.05 1 927 102 77 MET N N 117.5 0.05 1 928 102 77 MET H H 8.55 0.02 1 929 102 77 MET CA C 56.1 0.05 1 930 102 77 MET HA H 4.74 0.02 1 931 102 77 MET CB C 29.0 0.05 1 932 102 77 MET HB2 H 2.49 0.02 1 933 102 77 MET HB3 H 2.49 0.02 1 934 102 77 MET CG C 32.3 0.05 1 935 102 77 MET HG2 H 3.09 0.02 2 936 102 77 MET HG3 H 2.84 0.02 2 937 102 77 MET HE H 2.32 0.02 1 938 102 77 MET CE C 16.7 0.05 1 939 102 77 MET C C 178.7 0.05 1 940 103 78 GLY N N 104.8 0.05 1 941 103 78 GLY H H 8.24 0.02 1 942 103 78 GLY CA C 46.2 0.05 1 943 103 78 GLY HA2 H 3.96 0.02 2 944 103 78 GLY HA3 H 3.86 0.02 2 945 103 78 GLY C C 173.9 0.05 1 946 104 79 GLU N N 118.2 0.05 1 947 104 79 GLU H H 7.53 0.02 1 948 104 79 GLU CA C 57.5 0.05 1 949 104 79 GLU HA H 4.52 0.02 1 950 104 79 GLU CB C 31.9 0.05 1 951 104 79 GLU HB2 H 2.40 0.02 1 952 104 79 GLU HB3 H 2.40 0.02 1 953 104 79 GLU CG C 36.9 0.05 1 954 104 79 GLU HG2 H 2.72 0.02 2 955 104 79 GLU HG3 H 2.39 0.02 2 956 104 79 GLU C C 178.2 0.05 1 957 105 80 LEU N N 120.4 0.05 1 958 105 80 LEU H H 8.88 0.02 1 959 105 80 LEU CA C 57.5 0.05 1 960 105 80 LEU HA H 3.82 0.02 1 961 105 80 LEU CB C 42.6 0.05 1 962 105 80 LEU HB2 H 1.83 0.02 1 963 105 80 LEU HB3 H 1.83 0.02 1 964 105 80 LEU CG C 28.0 0.05 1 965 105 80 LEU HG H 1.61 0.02 1 966 105 80 LEU HD1 H 1.31 0.02 2 967 105 80 LEU HD2 H 1.00 0.02 2 968 105 80 LEU CD1 C 27.1 0.05 1 969 105 80 LEU CD2 C 22.9 0.05 1 970 105 80 LEU C C 177.8 0.05 1 971 106 81 TRP N N 119.5 0.05 1 972 106 81 TRP H H 8.79 0.02 1 973 106 81 TRP CA C 63.3 0.05 1 974 106 81 TRP HA H 4.30 0.02 1 975 106 81 TRP CB C 28.4 0.05 1 976 106 81 TRP HB2 H 3.37 0.02 1 977 106 81 TRP HB3 H 3.37 0.02 1 978 106 81 TRP CD1 C 127.7 0.05 1 979 106 81 TRP NE1 N 128.6 0.05 1 980 106 81 TRP HD1 H 7.12 0.02 1 981 106 81 TRP CZ3 C 120.1 0.05 1 982 106 81 TRP CZ2 C 116.1 0.05 1 983 106 81 TRP HE1 H 10.41 0.02 1 984 106 81 TRP HZ3 H 6.82 0.02 1 985 106 81 TRP CH2 C 123.8 0.05 1 986 106 81 TRP HZ2 H 7.75 0.02 1 987 106 81 TRP HH2 H 7.13 0.02 1 988 107 82 PRO CD C 50.8 0.05 1 989 107 82 PRO CA C 66.3 0.05 1 990 107 82 PRO HA H 4.24 0.02 1 991 107 82 PRO CB C 31.4 0.05 1 992 107 82 PRO HB2 H 1.76 0.02 2 993 107 82 PRO HB3 H 2.41 0.02 2 994 107 82 PRO CG C 29.0 0.05 1 995 107 82 PRO HG2 H 2.36 0.02 2 996 107 82 PRO HG3 H 2.11 0.02 2 997 107 82 PRO HD2 H 3.76 0.02 2 998 107 82 PRO HD3 H 3.39 0.02 2 999 107 82 PRO C C 179.9 0.05 1 1000 108 83 LEU N N 117.6 0.05 1 1001 108 83 LEU H H 6.97 0.02 1 1002 108 83 LEU CA C 58.2 0.05 1 1003 108 83 LEU HA H 3.90 0.02 1 1004 108 83 LEU CB C 41.7 0.05 1 1005 108 83 LEU HB2 H 1.85 0.02 2 1006 108 83 LEU HB3 H 0.84 0.02 2 1007 108 83 LEU CG C 25.9 0.05 1 1008 108 83 LEU HG H 1.46 0.02 1 1009 108 83 LEU HD1 H -0.29 0.02 2 1010 108 83 LEU HD2 H 0.28 0.02 2 1011 108 83 LEU CD1 C 24.4 0.05 1 1012 108 83 LEU CD2 C 23.1 0.05 1 1013 108 83 LEU C C 179.1 0.05 1 1014 109 84 LEU N N 119.3 0.05 1 1015 109 84 LEU H H 7.57 0.02 1 1016 109 84 LEU CA C 57.4 0.05 1 1017 109 84 LEU HA H 3.65 0.02 1 1018 109 84 LEU CB C 41.5 0.05 1 1019 109 84 LEU HB2 H 1.45 0.02 2 1020 109 84 LEU HB3 H 0.92 0.02 2 1021 109 84 LEU CG C 26.1 0.05 1 1022 109 84 LEU HG H 1.70 0.02 1 1023 109 84 LEU HD1 H 0.53 0.02 2 1024 109 84 LEU HD2 H 0.66 0.02 2 1025 109 84 LEU CD1 C 26.3 0.05 1 1026 109 84 LEU CD2 C 22.8 0.05 1 1027 109 84 LEU C C 178.5 0.05 1 1028 110 85 LEU N N 116.8 0.05 1 1029 110 85 LEU H H 8.23 0.02 1 1030 110 85 LEU CA C 57.1 0.05 1 1031 110 85 LEU HA H 3.74 0.02 1 1032 110 85 LEU CB C 41.5 0.05 1 1033 110 85 LEU HB2 H 1.71 0.02 2 1034 110 85 LEU HB3 H 1.34 0.02 2 1035 110 85 LEU CG C 26.1 0.05 1 1036 110 85 LEU HG H 1.33 0.02 1 1037 110 85 LEU HD1 H 0.63 0.02 2 1038 110 85 LEU HD2 H 0.99 0.02 2 1039 110 85 LEU CD1 C 23.6 0.05 1 1040 110 85 LEU CD2 C 26.8 0.05 1 1041 110 85 LEU C C 179.8 0.05 1 1042 111 86 SER N N 112.0 0.05 1 1043 111 86 SER H H 7.70 0.02 1 1044 111 86 SER CA C 60.0 0.05 1 1045 111 86 SER HA H 4.26 0.02 1 1046 111 86 SER CB C 63.6 0.05 1 1047 111 86 SER HB2 H 4.09 0.02 2 1048 111 86 SER HB3 H 3.96 0.02 2 1049 111 86 SER C C 177.6 0.05 1 1050 112 87 ALA N N 123.4 0.05 1 1051 112 87 ALA H H 8.19 0.02 1 1052 112 87 ALA CA C 54.8 0.05 1 1053 112 87 ALA HA H 3.58 0.02 1 1054 112 87 ALA HB H 1.33 0.02 1 1055 112 87 ALA CB C 19.4 0.05 1 1056 112 87 ALA C C 178.7 0.05 1 1057 113 88 GLN N N 110.3 0.05 1 1058 113 88 GLN H H 7.56 0.02 1 1059 113 88 GLN CA C 56.2 0.05 1 1060 113 88 GLN HA H 4.45 0.02 1 1061 113 88 GLN CB C 27.4 0.05 1 1062 113 88 GLN HB2 H 2.23 0.02 2 1063 113 88 GLN HB3 H 1.84 0.02 2 1064 113 88 GLN CG C 32.2 0.05 1 1065 113 88 GLN HG2 H 2.85 0.02 2 1066 113 88 GLN HG3 H 2.15 0.02 2 1067 113 88 GLN NE2 N 110.4 0.05 1 1068 113 88 GLN HE21 H 7.89 0.02 2 1069 113 88 GLN HE22 H 7.05 0.02 2 1070 113 88 GLN C C 176.5 0.05 1 1071 114 89 GLU N N 117.2 0.05 1 1072 114 89 GLU H H 7.25 0.02 1 1073 114 89 GLU CA C 55.7 0.05 1 1074 114 89 GLU HA H 4.45 0.02 1 1075 114 89 GLU CB C 30.3 0.05 1 1076 114 89 GLU HB2 H 2.31 0.02 2 1077 114 89 GLU HB3 H 2.05 0.02 2 1078 114 89 GLU CG C 35.9 0.05 1 1079 114 89 GLU HG2 H 2.50 0.02 2 1080 114 89 GLU HG3 H 2.43 0.02 2 1081 114 89 GLU C C 175.9 0.05 1 1082 115 90 ASN N N 120.3 0.05 1 1083 115 90 ASN H H 7.74 0.02 1 1084 115 90 ASN CA C 52.8 0.05 1 1085 115 90 ASN HA H 5.03 0.02 1 1086 115 90 ASN CB C 42.7 0.05 1 1087 115 90 ASN HB2 H 2.97 0.02 1 1088 115 90 ASN HB3 H 2.97 0.02 1 1089 115 90 ASN ND2 N 114.0 0.05 1 1090 115 90 ASN HD21 H 7.93 0.02 2 1091 115 90 ASN HD22 H 7.04 0.02 2 1092 115 90 ASN C C 177.1 0.05 1 1093 116 91 ILE N N 125.4 0.05 1 1094 116 91 ILE H H 8.84 0.02 1 1095 116 91 ILE CA C 63.5 0.05 1 1096 116 91 ILE HA H 4.06 0.02 1 1097 116 91 ILE CB C 38.4 0.05 1 1098 116 91 ILE HB H 1.99 0.02 1 1099 116 91 ILE HG2 H 1.05 0.02 1 1100 116 91 ILE CG2 C 17.5 0.05 1 1101 116 91 ILE CG1 C 28.1 0.05 1 1102 116 91 ILE HG12 H 1.59 0.02 2 1103 116 91 ILE HG13 H 1.36 0.02 2 1104 116 91 ILE HD1 H 0.99 0.02 1 1105 116 91 ILE CD1 C 13.7 0.05 1 1106 116 91 ILE C C 175.8 0.05 1 1107 117 92 ALA N N 122.8 0.05 1 1108 117 92 ALA H H 8.31 0.02 1 1109 117 92 ALA CA C 51.7 0.05 1 1110 117 92 ALA HA H 4.56 0.02 1 1111 117 92 ALA HB H 1.53 0.02 1 1112 117 92 ALA CB C 19.5 0.05 1 1113 117 92 ALA C C 178.0 0.05 1 1114 118 93 GLY N N 108.1 0.05 1 1115 118 93 GLY H H 8.12 0.02 1 1116 118 93 GLY CA C 46.9 0.05 1 1117 118 93 GLY HA2 H 4.40 0.02 2 1118 118 93 GLY HA3 H 3.84 0.02 2 1119 118 93 GLY C C 174.4 0.05 1 1120 119 94 ILE N N 118.0 0.05 1 1121 119 94 ILE H H 7.27 0.02 1 1122 119 94 ILE CA C 57.4 0.05 1 1123 119 94 ILE HA H 4.55 0.02 1 1124 119 94 ILE CB C 41.3 0.05 1 1125 119 94 ILE HB H 1.67 0.02 1 1126 119 94 ILE HG2 H 1.09 0.02 1 1127 119 94 ILE CG2 C 17.1 0.05 1 1128 119 94 ILE CG1 C 27.4 0.05 1 1129 119 94 ILE HG12 H 1.69 0.02 1 1130 119 94 ILE HG13 H 1.69 0.02 1 1131 119 94 ILE HD1 H 0.96 0.02 1 1132 119 94 ILE CD1 C 13.2 0.05 1 1133 120 95 PRO CD C 50.3 0.05 1 1134 120 95 PRO CA C 62.5 0.05 1 1135 120 95 PRO HA H 3.99 0.02 1 1136 120 95 PRO CB C 32.0 0.05 1 1137 120 95 PRO HB2 H 2.34 0.02 2 1138 120 95 PRO HB3 H 1.28 0.02 2 1139 120 95 PRO CG C 27.5 0.05 1 1140 120 95 PRO HG2 H 1.59 0.02 2 1141 120 95 PRO HG3 H 1.09 0.02 2 1142 120 95 PRO HD2 H 3.67 0.02 2 1143 120 95 PRO HD3 H 3.26 0.02 2 1144 120 95 PRO C C 177.4 0.05 1 1145 121 96 SER N N 120.3 0.05 1 1146 121 96 SER H H 8.34 0.02 1 1147 121 96 SER CA C 61.6 0.05 1 1148 121 96 SER HA H 4.05 0.02 1 1149 121 96 SER CB C 62.4 0.05 1 1150 121 96 SER HB2 H 3.92 0.02 1 1151 121 96 SER HB3 H 3.92 0.02 1 1152 121 96 SER C C 176.5 0.05 1 1153 122 97 ALA N N 122.0 0.05 1 1154 122 97 ALA H H 8.65 0.02 1 1155 122 97 ALA CA C 54.0 0.05 1 1156 122 97 ALA HA H 4.19 0.02 1 1157 122 97 ALA HB H 1.25 0.02 1 1158 122 97 ALA CB C 18.6 0.05 1 1159 122 97 ALA C C 178.8 0.05 1 1160 123 98 PHE N N 115.1 0.05 1 1161 123 98 PHE H H 7.72 0.02 1 1162 123 98 PHE CA C 55.8 0.05 1 1163 123 98 PHE HA H 4.83 0.02 1 1164 123 98 PHE CB C 37.7 0.05 1 1165 123 98 PHE HB2 H 3.43 0.02 2 1166 123 98 PHE HB3 H 3.10 0.02 2 1167 123 98 PHE HD1 H 7.08 0.02 1 1168 123 98 PHE HD2 H 7.08 0.02 1 1169 123 98 PHE HE1 H 7.27 0.02 1 1170 123 98 PHE HE2 H 7.27 0.02 1 1171 123 98 PHE CD1 C 129.9 0.05 1 1172 123 98 PHE CE1 C 131.5 0.05 1 1173 123 98 PHE CZ C 129.3 0.05 1 1174 123 98 PHE HZ H 7.00 0.02 1 1175 123 98 PHE CE2 C 131.5 0.05 1 1176 123 98 PHE CD2 C 129.9 0.05 1 1177 123 98 PHE C C 176.6 0.05 1 1178 124 99 LEU N N 121.0 0.05 1 1179 124 99 LEU H H 7.63 0.02 1 1180 124 99 LEU CA C 55.9 0.05 1 1181 124 99 LEU HA H 4.36 0.02 1 1182 124 99 LEU CB C 42.5 0.05 1 1183 124 99 LEU HB2 H 1.84 0.02 2 1184 124 99 LEU HB3 H 1.64 0.02 2 1185 124 99 LEU CG C 26.7 0.05 1 1186 124 99 LEU HG H 1.69 0.02 1 1187 124 99 LEU HD1 H 0.95 0.02 2 1188 124 99 LEU HD2 H 0.92 0.02 2 1189 124 99 LEU CD1 C 25.2 0.05 1 1190 124 99 LEU CD2 C 23.3 0.05 1 1191 124 99 LEU C C 177.5 0.05 1 1192 125 100 GLU N N 119.8 0.05 1 1193 125 100 GLU H H 8.10 0.02 1 1194 125 100 GLU CA C 56.6 0.05 1 1195 125 100 GLU HA H 4.31 0.02 1 1196 125 100 GLU CB C 30.1 0.05 1 1197 125 100 GLU HB2 H 2.10 0.02 2 1198 125 100 GLU HB3 H 1.99 0.02 2 1199 125 100 GLU CG C 36.2 0.05 1 1200 125 100 GLU HG2 H 2.35 0.02 1 1201 125 100 GLU HG3 H 2.35 0.02 1 1202 125 100 GLU C C 176.6 0.05 1 1203 126 101 LEU N N 122.4 0.05 1 1204 126 101 LEU H H 8.03 0.02 1 1205 126 101 LEU CA C 55.4 0.05 1 1206 126 101 LEU HA H 4.37 0.02 1 1207 126 101 LEU CB C 42.3 0.05 1 1208 126 101 LEU HB2 H 1.73 0.02 2 1209 126 101 LEU HB3 H 1.65 0.02 2 1210 126 101 LEU CG C 27.0 0.05 1 1211 126 101 LEU HG H 1.71 0.02 1 1212 126 101 LEU HD1 H 0.97 0.02 2 1213 126 101 LEU HD2 H 0.93 0.02 2 1214 126 101 LEU CD1 C 25.1 0.05 1 1215 126 101 LEU CD2 C 23.7 0.05 1 1216 126 101 LEU C C 177.4 0.05 1 1217 127 102 LYS N N 121.9 0.05 1 1218 127 102 LYS H H 8.30 0.02 1 1219 127 102 LYS CA C 56.1 0.05 1 1220 127 102 LYS HA H 4.38 0.02 1 1221 127 102 LYS CB C 32.9 0.05 1 1222 127 102 LYS HB2 H 1.92 0.02 1 1223 127 102 LYS HB3 H 1.92 0.02 1 1224 127 102 LYS CG C 24.9 0.05 1 1225 127 102 LYS HG2 H 1.53 0.02 1 1226 127 102 LYS HG3 H 1.53 0.02 1 1227 127 102 LYS CD C 29.3 0.05 1 1228 127 102 LYS HD2 H 1.76 0.02 1 1229 127 102 LYS HD3 H 1.76 0.02 1 1230 127 102 LYS CE C 42.2 0.05 1 1231 127 102 LYS HE2 H 3.02 0.02 1 1232 127 102 LYS HE3 H 3.02 0.02 1 1233 127 102 LYS C C 176.6 0.05 1 1234 128 103 LYS N N 122.9 0.05 1 1235 128 103 LYS H H 8.35 0.02 1 1236 128 103 LYS CA C 56.0 0.05 1 1237 128 103 LYS HA H 4.38 0.02 1 1238 128 103 LYS CB C 33.0 0.05 1 1239 128 103 LYS HB2 H 1.89 0.02 2 1240 128 103 LYS HB3 H 1.83 0.02 2 1241 128 103 LYS CG C 24.8 0.05 1 1242 128 103 LYS HG2 H 1.50 0.02 1 1243 128 103 LYS HG3 H 1.50 0.02 1 1244 128 103 LYS CD C 29.2 0.05 1 1245 128 103 LYS HD2 H 1.75 0.02 1 1246 128 103 LYS HD3 H 1.75 0.02 1 1247 128 103 LYS CE C 42.3 0.05 1 1248 128 103 LYS HE2 H 3.07 0.02 1 1249 128 103 LYS HE3 H 3.07 0.02 1 1250 128 103 LYS C C 176.8 0.05 1 1251 129 104 GLU N N 121.7 0.05 1 1252 129 104 GLU H H 8.53 0.02 1 1253 129 104 GLU CA C 56.6 0.05 1 1254 129 104 GLU HA H 4.33 0.02 1 1255 129 104 GLU CB C 30.4 0.05 1 1256 129 104 GLU HB2 H 2.09 0.02 2 1257 129 104 GLU HB3 H 1.99 0.02 2 1258 129 104 GLU CG C 36.3 0.05 1 1259 129 104 GLU HG2 H 2.33 0.02 1 1260 129 104 GLU HG3 H 2.33 0.02 1 1261 129 104 GLU C C 176.5 0.05 1 1262 130 105 GLU N N 122.2 0.05 1 1263 130 105 GLU H H 8.45 0.02 1 1264 130 105 GLU CA C 56.5 0.05 1 1265 130 105 GLU HA H 4.35 0.02 1 1266 130 105 GLU CB C 30.5 0.05 1 1267 130 105 GLU HB2 H 2.09 0.02 2 1268 130 105 GLU HB3 H 2.00 0.02 2 1269 130 105 GLU CG C 36.3 0.05 1 1270 130 105 GLU HG2 H 2.26 0.02 1 1271 130 105 GLU HG3 H 2.26 0.02 1 1272 130 105 GLU C C 176.5 0.05 1 1273 131 106 ILE N N 122.4 0.05 1 1274 131 106 ILE H H 8.23 0.02 1 1275 131 106 ILE CA C 61.2 0.05 1 1276 131 106 ILE HA H 4.19 0.02 1 1277 131 106 ILE CB C 38.5 0.05 1 1278 131 106 ILE HB H 1.93 0.02 1 1279 131 106 ILE HG2 H 0.95 0.02 1 1280 131 106 ILE CG2 C 17.7 0.05 1 1281 131 106 ILE CG1 C 27.5 0.05 1 1282 131 106 ILE HG12 H 1.55 0.02 2 1283 131 106 ILE HG13 H 1.26 0.02 2 1284 131 106 ILE HD1 H 0.92 0.02 1 1285 131 106 ILE CD1 C 13.0 0.05 1 1286 131 106 ILE C C 176.2 0.05 1 1287 132 107 LYS N N 125.8 0.05 1 1288 132 107 LYS H H 8.40 0.02 1 1289 132 107 LYS CA C 56.2 0.05 1 1290 132 107 LYS HA H 4.41 0.02 1 1291 132 107 LYS CB C 33.1 0.05 1 1292 132 107 LYS HB2 H 1.89 0.02 2 1293 132 107 LYS HB3 H 1.83 0.02 2 1294 132 107 LYS CG C 24.9 0.05 1 1295 132 107 LYS HG2 H 1.50 0.02 1 1296 132 107 LYS HG3 H 1.50 0.02 1 1297 132 107 LYS CD C 29.2 0.05 1 1298 132 107 LYS HD2 H 1.75 0.02 1 1299 132 107 LYS HD3 H 1.75 0.02 1 1300 132 107 LYS CE C 42.2 0.05 1 1301 132 107 LYS HE2 H 3.06 0.02 1 1302 132 107 LYS HE3 H 3.06 0.02 1 1303 132 107 LYS C C 176.4 0.05 1 1304 133 108 GLN N N 122.5 0.05 1 1305 133 108 GLN H H 8.47 0.02 1 1306 133 108 GLN CA C 55.9 0.05 1 1307 133 108 GLN HA H 4.39 0.02 1 1308 133 108 GLN CB C 29.7 0.05 1 1309 133 108 GLN HB2 H 2.19 0.02 2 1310 133 108 GLN HB3 H 2.05 0.02 2 1311 133 108 GLN CG C 34.0 0.05 1 1312 133 108 GLN HG2 H 2.45 0.02 1 1313 133 108 GLN HG3 H 2.45 0.02 1 1314 133 108 GLN C C 175.1 0.05 1 1315 134 109 ARG N N 127.8 0.05 1 1316 134 109 ARG H H 8.07 0.02 1 1317 134 109 ARG CA C 57.5 0.05 1 1318 134 109 ARG HA H 4.22 0.02 1 1319 134 109 ARG CB C 31.6 0.05 1 1320 134 109 ARG HB2 H 1.91 0.02 2 1321 134 109 ARG HB3 H 1.78 0.02 2 1322 134 109 ARG CG C 27.3 0.05 1 1323 134 109 ARG HG2 H 1.66 0.02 1 1324 134 109 ARG HG3 H 1.66 0.02 1 1325 134 109 ARG CD C 43.7 0.05 1 1326 134 109 ARG HD2 H 3.26 0.02 1 1327 134 109 ARG HD3 H 3.26 0.02 1 stop_ save_