data_4101 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Resonance Assignments of Fusarium Solani Pisi Cutinase and Preliminary Features of the Structure in Solution ; _BMRB_accession_number 4101 _BMRB_flat_file_name bmr4101.str _Entry_type original _Submission_date 1998-01-27 _Accession_date 1998-01-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Frequencies of NH and NH2 groups were measured in the 2D N-15-H-1 HSQC spectrum with a digital resolution of 1.78 Hz/point in the N-15 dimension and 7.08 Hz/point in the H-1 dimension. C-13(carbonyl), C-13(alpha) and H-1(alpha) frequencies were measured in the HNCO/HN(CA)CO (C-13(carbonyl): 14.1 Hz/point), HNCA/HN(CO)CA (C-13(alpha): 16.2 Hz/point) and HN(CA)HA/HN(COCA)HA (H-1(alpha): 18.8 Hz/point) spectra respectively. Aliphatic side-chain carbon and proton frequencies were first measured with a rather low precision in the CBCA(CO)NH (C-13(beta): 37.8 Hz/point), HBHA(CBCACO)NH (H-1(beta): 25.8 Hz/point), CCH-TOCSY (C-13: 82.5 Hz/point; H-1: 7.08 Hz/point) and H(C)CH-TOCSY (H-1 (F1): 56.6 Hz/point; C-13: 82.5 Hz/point; H-1 (F3): 7.08 Hz/point) experiments, but were to a large extent remeasured from the 2D C-13-H-1 CT-COSY spectra (C-13: 10.3 Hz/point; H-1: 7.08 Hz/point). The aromatic carbon and proton frequencies of tryptophan were remeasured in the C-13-H-1 SCT-COSY (C-13: 41.3 Hz/point; H-1: 7.08 Hz/point), after a first assignment in the CCH- and H(C)CH-TOCSY spectra. The histidine C(epsilon-1) and H(epsilon-1) frequencies were also determined from the C-13-H-1 SCT-COSY spectrum, but the H(delta-2) frequency was derived from the C-13-edited NOESY-HMQC (H-1 (F1): 28.3 Hz/point). The aromatic C(gamma) and proton frequencies of phenylalanines and tyrosines were measured in the CG(CB)H (C-13(gamma): 9.44 Hz/point), CG(CD)H (H-1(delta): 7.08 Hz/point), CG(CDCE)H (H-1(epsilon): 7.08 Hz/point), CG(CDCECZ)H (H-1(zeta): 7.08 Hz/point) and CG(Caro)H-TOCSY (H-1: 7.08 Hz/point) spectra. The other aromatic carbon resonances of these residues were determined from the C-13-H-1 SCT-COSY (C-13: 41.3 Hz/point). ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Prompers Jeanine J. . 2 Groenewegen Anneke A. . 3 van_Schaik Rene C. . 4 Pepermans Henri A.M. . 5 Hilbers Cornelis W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1110 "13C chemical shifts" 905 "15N chemical shifts" 230 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1998-07-15 original author . stop_ _Original_release_date 1998-07-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Prompers, J., Groenewegen, A., van Schaik, R. C., Pepermans, H. A.M., and Hilbers, C. W., "1H, 13C, and 15N Resonance Assignments of Fusarium Solani Pisi Cutinase and Preliminary Features of the Structure in Solution," Protein Sci. 6, 2375-2384 (1997). ; _Citation_title ; 1H, 13C, and 15N Resonance Assignments of Fusarium Solani Pisi Cutinase and Preliminary Features of the Structure in Solution ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 98046750 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Prompers Jeanine J. . 2 Groenewegen Anneke A. . 3 van_Schaik Rene C. . 4 Pepermans Henri A.M. . 5 Hilbers Cornelis W. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 6 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2374 _Page_last 2384 _Year 1997 _Details . loop_ _Keyword 'amide-aromatic hydrogen bond' cutinase 'heteronuclear 3D NMR' protein 'resonance assignment' 'secondary structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_cutinase _Saveframe_category molecular_system _Mol_system_name cutinase _Abbreviation_common cutinase _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cutinase $cutinase stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cutinase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Fusarium solani pisi cutinase' _Abbreviation_common cutinase _Molecular_mass 22212 _Mol_thiol_state . _Details 'Residue 1-15 is the propeptide segment' ############################## # Polymer residue sequence # ############################## _Residue_count 214 _Mol_residue_sequence ; APTSNPAQELEARQLGRTTR DDLINGNSASCADVIFIYAR GSTETGNLGTLGPSIASNLE SAFGKDGVWIQGVGGAYRAT LGDNALPRGTSSAAIREMLG LFQQANTKCPDATLIAGGYS QGAALAAASIEDLDSAIRDK IAGTVLFGYTKNLQNRGRIP NYPADRTKVFCNTGDLVCTG SLIVAAPHLAYGPDARGPAP EFLIEKVRAVRGSA ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PRO 3 THR 4 SER 5 ASN 6 PRO 7 ALA 8 GLN 9 GLU 10 LEU 11 GLU 12 ALA 13 ARG 14 GLN 15 LEU 16 GLY 17 ARG 18 THR 19 THR 20 ARG 21 ASP 22 ASP 23 LEU 24 ILE 25 ASN 26 GLY 27 ASN 28 SER 29 ALA 30 SER 31 CYS 32 ALA 33 ASP 34 VAL 35 ILE 36 PHE 37 ILE 38 TYR 39 ALA 40 ARG 41 GLY 42 SER 43 THR 44 GLU 45 THR 46 GLY 47 ASN 48 LEU 49 GLY 50 THR 51 LEU 52 GLY 53 PRO 54 SER 55 ILE 56 ALA 57 SER 58 ASN 59 LEU 60 GLU 61 SER 62 ALA 63 PHE 64 GLY 65 LYS 66 ASP 67 GLY 68 VAL 69 TRP 70 ILE 71 GLN 72 GLY 73 VAL 74 GLY 75 GLY 76 ALA 77 TYR 78 ARG 79 ALA 80 THR 81 LEU 82 GLY 83 ASP 84 ASN 85 ALA 86 LEU 87 PRO 88 ARG 89 GLY 90 THR 91 SER 92 SER 93 ALA 94 ALA 95 ILE 96 ARG 97 GLU 98 MET 99 LEU 100 GLY 101 LEU 102 PHE 103 GLN 104 GLN 105 ALA 106 ASN 107 THR 108 LYS 109 CYS 110 PRO 111 ASP 112 ALA 113 THR 114 LEU 115 ILE 116 ALA 117 GLY 118 GLY 119 TYR 120 SER 121 GLN 122 GLY 123 ALA 124 ALA 125 LEU 126 ALA 127 ALA 128 ALA 129 SER 130 ILE 131 GLU 132 ASP 133 LEU 134 ASP 135 SER 136 ALA 137 ILE 138 ARG 139 ASP 140 LYS 141 ILE 142 ALA 143 GLY 144 THR 145 VAL 146 LEU 147 PHE 148 GLY 149 TYR 150 THR 151 LYS 152 ASN 153 LEU 154 GLN 155 ASN 156 ARG 157 GLY 158 ARG 159 ILE 160 PRO 161 ASN 162 TYR 163 PRO 164 ALA 165 ASP 166 ARG 167 THR 168 LYS 169 VAL 170 PHE 171 CYS 172 ASN 173 THR 174 GLY 175 ASP 176 LEU 177 VAL 178 CYS 179 THR 180 GLY 181 SER 182 LEU 183 ILE 184 VAL 185 ALA 186 ALA 187 PRO 188 HIS 189 LEU 190 ALA 191 TYR 192 GLY 193 PRO 194 ASP 195 ALA 196 ARG 197 GLY 198 PRO 199 ALA 200 PRO 201 GLU 202 PHE 203 LEU 204 ILE 205 GLU 206 LYS 207 VAL 208 ARG 209 ALA 210 VAL 211 ARG 212 GLY 213 SER 214 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1AGY "The 1.15 Angstrom Refined Structure Of Fusarium Solani Pisi Cutinase" 93.46 200 99.50 99.50 1.00e-139 PDB 1CEX "Structure Of Cutinase" 99.53 214 100.00 100.00 5.70e-151 PDB 1CUA "Cutinase, N172k Mutant" 99.53 214 99.53 99.53 2.75e-150 PDB 1CUB "Cutinase, N172k, R196d Mutant, Monoclinic Crystal Form" 99.53 214 99.06 99.06 1.97e-149 PDB 1CUC "Cutinase, N172k, R196d Mutant, Orthorhombic Crystal Form" 99.53 214 99.06 99.06 1.97e-149 PDB 1CUD "Cutinase, N172k, R196d Mutant, Monoclinic Crystal Form With Three Molecules Per Asymmetric Unit" 99.53 214 99.06 99.06 1.97e-149 PDB 1CUE "Cutinase, Q121l Mutant" 92.06 197 99.49 99.49 2.77e-137 PDB 1CUF "Cutinase, R156l Mutant" 99.53 214 99.53 99.53 5.48e-150 PDB 1CUG "Cutinase, R17e, N172k Mutant" 99.53 214 99.06 99.06 1.97e-149 PDB 1CUH "Cutinase, R196e Mutant" 99.53 214 99.53 99.53 3.35e-150 PDB 1CUI "Cutinase, S120a Mutant" 99.53 214 99.53 100.00 2.05e-150 PDB 1CUJ "Cutinase, S120c Mutant" 99.53 214 99.53 99.53 5.79e-150 PDB 1CUS "Fusarium Solani Cutinase Is A Lipolytic Enzyme With A Catalytic Serine Accessible To Solvent" 93.46 200 100.00 100.00 1.40e-140 PDB 1CUU "Cutinase, A199c Mutant" 99.53 214 99.53 99.53 6.18e-150 PDB 1CUV "Cutinase, A85f Mutant" 99.53 214 99.53 99.53 3.90e-150 PDB 1CUW "Cutinase, G82a, A85f, V184i, A185l, L189f Mutant" 99.53 214 97.65 98.12 1.03e-147 PDB 1CUX "Cutinase, L114y Mutant" 99.53 214 99.53 99.53 3.58e-150 PDB 1CUY "Cutinase, L189f Mutant" 99.53 214 99.53 99.53 1.96e-150 PDB 1CUZ "Cutinase, L81g, L182g Mutant" 99.53 214 99.06 99.06 2.81e-148 PDB 1FFA "Contribution Of Cutinase Serine 42 Side Chain To The Stabilization Of The Oxyanion Transition State" 99.53 214 99.06 99.06 5.27e-149 PDB 1FFB "Contribution Of Cutinase Serine 42 Side Chain To The Stabilization Of The Oxyanion Transition State" 99.53 214 99.06 99.53 1.62e-149 PDB 1FFC "Contribution Of Cutinase Serine 42 Side Chain To The Stabilization Of The Oxyanion Transition State" 99.53 214 99.06 99.06 8.91e-149 PDB 1FFD "Contribution Of Cutinase Serine 42 Side Chain To The Stabilization Of The Oxyanion Transition State" 99.53 214 99.06 99.06 2.39e-148 PDB 1FFE "Contribution Of Cutinase Serine 42 Side Chain To The Stabilization Of The Oxyanion Transition State" 99.53 214 99.06 99.53 1.26e-149 PDB 1OXM "Structure Of Cutinase" 99.53 214 100.00 100.00 5.70e-151 PDB 1XZA "Fusarium Solani Cutinase Mutant With Ser 129 Replaced By Cys" 99.53 214 99.06 99.06 5.69e-149 PDB 1XZB "Fusarium Solani Cutinase Mutant With Ser 129 Replaced By Cys Complex With Mercury Acetate" 99.53 214 99.06 99.06 5.69e-149 PDB 1XZC "Fusarium Solani Cutinase Mutant With Ser 129 Replaced By Cys Complex With Para-Sulfurousphenyl Mercury" 99.53 214 99.06 99.06 5.69e-149 PDB 1XZD "Fusarium Solani Cutinase Mutant With Ser 213 Replaced By Cys" 99.53 214 99.06 99.06 5.69e-149 PDB 1XZE "Fusarium Solani Cutinase Mutant With Ser 92 Replaced By Cys" 99.53 214 99.06 99.06 5.69e-149 PDB 1XZF "Fusarium Solani Cutinase Mutant With Thr 144 Replaced By Cys" 99.53 214 99.06 99.06 5.88e-149 PDB 1XZG "Fusarium Solani Cutinase Mutant With Thr 45 Replaced By Ala" 99.53 214 99.06 99.06 3.68e-149 PDB 1XZH "Fusarium Solani Cutinase Mutant With Thr 80 Replaced By Pro" 99.53 214 99.06 99.06 6.21e-149 PDB 1XZI "Fusarium Solani Cutinase Mutant With Thr 119 Replaced By His" 99.53 214 99.06 99.53 2.40e-149 PDB 1XZJ "Fusarium Solani Cutinase Mutant With Thr 38 Replaced By Phe" 99.53 214 99.06 99.53 1.97e-149 PDB 1XZK "Fusarium Solani Cutinase Complex With Di(isopropyl)phosphate" 99.53 214 99.53 99.53 5.85e-150 PDB 1XZL "Fusarium Solani Cutinase Complex With N-hexylphosphonate Ethyl Ester" 99.53 214 99.53 99.53 5.85e-150 PDB 1XZM "Fusarium Solani Cutinase Complex With N-Undecyl O-Methyl Chloro Phosphonate Ester" 99.53 214 99.53 99.53 5.85e-150 PDB 2CUT "Cutinase, A Lipolytic Enzyme With A Preformed Oxyanion Hole" 92.52 198 100.00 100.00 3.07e-139 PDB 3EF3 "Cut-1a; Ncn-Pt-Pincer-Cutinase Hybrid" 99.53 214 99.53 99.53 2.75e-150 PDB 3ESA "Cut-1b; Ncn-Pt-Pincer-Cutinase Hybrid" 99.53 214 99.53 99.53 2.75e-150 PDB 3ESB "Cut-1c; Ncn-Pt-Pincer-Cutinase Hybrid" 99.53 214 99.53 99.53 2.75e-150 PDB 3ESC "Cut-2a; Ncn-Pt-Pincer-Cutinase Hybrid" 99.53 214 99.53 99.53 2.75e-150 PDB 3ESD "Cut-2b; Ncn-Pt-Pincer-Cutinase Hybrid" 99.53 214 99.53 99.53 2.75e-150 PDB 3QPA "Structure Of Fusarium Solani Cutinase Expressed In Pichia Pastoris" 92.06 197 99.49 99.49 8.06e-138 PDB 3QPC "Structure Of Fusarium Solani Cutinase Expressed In Pichia Pastoris, Crystallized In The Presence Of Paraoxon" 92.06 197 99.49 99.49 8.06e-138 GB AAA33334 "cutinase [Fusarium solani]" 99.53 230 99.53 99.53 1.70e-150 GB AAA33335 "cutinase [Fusarium solani]" 99.53 230 99.53 99.53 2.41e-150 GB AAB05922 "cutinase [Fusarium striatum]" 99.53 230 99.06 99.06 6.90e-150 GB EEU36811 "carbohydrate esterase family 5 [Nectria haematococca mpVI 77-13-4]" 99.53 233 100.00 100.00 2.34e-151 PRF 1008249A cutinase 99.53 230 99.53 99.53 1.70e-150 REF XP_003042524 "carbohydrate esterase family 5 [Nectria haematococca mpVI 77-13-4]" 99.53 233 100.00 100.00 2.34e-151 SP P00590 "RecName: Full=Cutinase 1; AltName: Full=Cutin hydrolase 1; Flags: Precursor" 99.53 230 99.53 99.53 1.70e-150 SP Q99174 "RecName: Full=Cutinase; AltName: Full=Cutin hydrolase; Flags: Precursor" 99.53 230 99.06 99.06 6.90e-150 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $cutinase fungus 29915 Eukaryota Fungi Fusarium solani pisi stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $cutinase 'recombinant technology' 'E. coli' Escherichia coli WK6 plasmid CT1 native stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cutinase 2.0 mM '[U-99% 13C; U-99% 15N]' 'deuterated sodium acetate' 10 mM . NaCl 100 mM . 'sodium azide' 0.02 % . H2O 95 % . D2O 5 % . stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 . n/a temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 methyl ppm 0.0 . indirect . . . 0.101329118 TSP H 1 methyl ppm 0.0 internal direct . . . . TSP N 15 methyl ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name cutinase _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 ALA C C 172.0 . 1 2 . 1 ALA CA C 51.0 . 1 3 . 1 ALA HA H 4.40 . 1 4 . 1 ALA CB C 17.9 . 1 5 . 1 ALA HB H 1.57 . 1 6 . 2 PRO C C 176.8 . 1 7 . 2 PRO CA C 63.1 . 1 8 . 2 PRO HA H 4.62 . 1 9 . 2 PRO CB C 31.9 . 1 10 . 2 PRO HB2 H 2.39 . 2 11 . 2 PRO HB3 H 1.99 . 2 12 . 2 PRO CG C 27.1 . 1 13 . 2 PRO HG2 H 2.07 . 2 14 . 2 PRO HG3 H 2.07 . 2 15 . 2 PRO CD C 50.4 . 1 16 . 2 PRO HD2 H 3.77 . 2 17 . 2 PRO HD3 H 3.67 . 2 18 . 3 THR N N 114.6 . 1 19 . 3 THR H H 8.33 . 1 20 . 3 THR C C 174.3 . 1 21 . 3 THR CA C 61.7 . 1 22 . 3 THR HA H 4.39 . 1 23 . 3 THR CB C 69.8 . 1 24 . 3 THR HB H 4.28 . 1 25 . 3 THR CG2 C 21.5 . 1 26 . 3 THR HG2 H 1.27 . 1 27 . 4 SER N N 117.9 . 1 28 . 4 SER H H 8.32 . 1 29 . 4 SER C C 173.6 . 1 30 . 4 SER CA C 58.1 . 1 31 . 4 SER HA H 4.51 . 1 32 . 4 SER CB C 63.9 . 1 33 . 4 SER HB2 H 3.87 . 2 34 . 4 SER HB3 H 3.87 . 2 35 . 5 ASN N N 121.2 . 1 36 . 5 ASN H H 8.52 . 1 37 . 5 ASN C C 173.4 . 1 38 . 5 ASN CA C 51.3 . 1 39 . 5 ASN HA H 5.04 . 1 40 . 5 ASN CB C 38.8 . 1 41 . 5 ASN HB2 H 2.91 . 2 42 . 5 ASN HB3 H 2.75 . 2 43 . 5 ASN CG C 176.9 . 1 44 . 5 ASN ND2 N 112.8 . 1 45 . 5 ASN HD21 H 7.64 . 2 46 . 5 ASN HD22 H 6.97 . 2 47 . 6 PRO C C 177.2 . 1 48 . 6 PRO CA C 64.0 . 1 49 . 6 PRO HA H 4.41 . 1 50 . 6 PRO CB C 31.9 . 1 51 . 6 PRO HB2 H 2.35 . 2 52 . 6 PRO HB3 H 1.99 . 2 53 . 6 PRO CG C 27.0 . 1 54 . 6 PRO HG2 H 2.05 . 2 55 . 6 PRO HG3 H 2.05 . 2 56 . 6 PRO CD C 50.7 . 1 57 . 6 PRO HD2 H 2.83 . 2 58 . 6 PRO HD3 H 2.83 . 2 59 . 7 ALA N N 122.3 . 1 60 . 7 ALA H H 8.23 . 1 61 . 7 ALA C C 178.5 . 1 62 . 7 ALA CA C 53.3 . 1 63 . 7 ALA HA H 4.29 . 1 64 . 7 ALA CB C 18.6 . 1 65 . 7 ALA HB H 1.45 . 1 66 . 8 GLN N N 118.7 . 1 67 . 8 GLN H H 8.08 . 1 68 . 8 GLN C C 176.8 . 1 69 . 8 GLN CA C 56.7 . 1 70 . 8 GLN HA H 4.26 . 1 71 . 8 GLN CB C 29.2 . 1 72 . 8 GLN HB2 H 2.11 . 2 73 . 8 GLN HB3 H 2.11 . 2 74 . 8 GLN CG C 33.9 . 1 75 . 8 GLN HG2 H 2.41 . 2 76 . 8 GLN HG3 H 2.41 . 2 77 . 8 GLN CD C 180.2 . 1 78 . 8 GLN NE2 N 112.0 . 1 79 . 8 GLN HE21 H 7.55 . 2 80 . 8 GLN HE22 H 6.85 . 2 81 . 9 GLU N N 121.1 . 1 82 . 9 GLU H H 8.26 . 1 83 . 9 GLU C C 177.1 . 1 84 . 9 GLU CA C 57.3 . 1 85 . 9 GLU HA H 4.26 . 1 86 . 9 GLU CB C 29.6 . 1 87 . 9 GLU HB2 H 2.05 . 2 88 . 9 GLU HB3 H 2.05 . 2 89 . 9 GLU CG C 35.9 . 1 90 . 9 GLU HG2 H 2.35 . 2 91 . 9 GLU HG3 H 2.30 . 2 92 . 9 GLU CD C 182.9 . 1 93 . 10 LEU N N 121.7 . 1 94 . 10 LEU H H 8.09 . 1 95 . 10 LEU C C 178.2 . 1 96 . 10 LEU CA C 56.3 . 1 97 . 10 LEU HA H 4.24 . 1 98 . 10 LEU CB C 42.0 . 1 99 . 10 LEU HB2 H 1.69 . 2 100 . 10 LEU HB3 H 1.69 . 2 101 . 10 LEU CG C 27.0 . 1 102 . 10 LEU HG H 1.67 . 1 103 . 10 LEU CD1 C 24.7 . 2 104 . 10 LEU HD1 H 0.95 . 2 105 . 10 LEU CD2 C 23.4 . 2 106 . 10 LEU HD2 H 0.88 . 2 107 . 11 GLU N N 120.3 . 1 108 . 11 GLU H H 8.19 . 1 109 . 11 GLU C C 177.1 . 1 110 . 11 GLU CA C 57.5 . 1 111 . 11 GLU HA H 4.19 . 1 112 . 11 GLU CB C 29.6 . 1 113 . 11 GLU HB2 H 2.06 . 2 114 . 11 GLU HB3 H 2.06 . 2 115 . 11 GLU CG C 35.9 . 1 116 . 11 GLU HG2 H 2.35 . 2 117 . 11 GLU HG3 H 2.30 . 2 118 . 11 GLU CD C 182.9 . 1 119 . 12 ALA N N 123.1 . 1 120 . 12 ALA H H 8.13 . 1 121 . 12 ALA C C 178.7 . 1 122 . 12 ALA CA C 53.4 . 1 123 . 12 ALA HA H 4.26 . 1 124 . 12 ALA CB C 18.6 . 1 125 . 12 ALA HB H 1.45 . 1 126 . 13 ARG N N 118.5 . 1 127 . 13 ARG H H 8.07 . 1 128 . 13 ARG C C 176.9 . 1 129 . 13 ARG CA C 56.9 . 1 130 . 13 ARG HA H 4.26 . 1 131 . 13 ARG CB C 30.4 . 1 132 . 13 ARG HB2 H 1.89 . 2 133 . 13 ARG HB3 H 1.89 . 2 134 . 13 ARG CG C 27.1 . 1 135 . 13 ARG HG2 H 1.74 . 9 136 . 13 ARG HG3 H 1.74 . 9 137 . 13 ARG CD C 43.4 . 1 138 . 13 ARG HD2 H 3.23 . 2 139 . 13 ARG HD3 H 3.23 . 2 140 . 13 ARG NE N 84.6 . 1 141 . 13 ARG HE H 7.27 . 1 142 . 13 ARG CZ C 159.6 . 1 143 . 14 GLN N N 119.7 . 1 144 . 14 GLN H H 8.18 . 1 145 . 14 GLN C C 176.6 . 1 146 . 14 GLN CA C 56.3 . 1 147 . 14 GLN HA H 4.31 . 1 148 . 14 GLN CB C 28.8 . 1 149 . 14 GLN HB2 H 2.14 . 2 150 . 14 GLN HB3 H 2.08 . 2 151 . 14 GLN CG C 33.8 . 1 152 . 14 GLN HG2 H 2.41 . 2 153 . 14 GLN HG3 H 2.41 . 2 154 . 14 GLN CD C 180.2 . 1 155 . 14 GLN NE2 N 112.0 . 1 156 . 14 GLN HE21 H 7.50 . 2 157 . 14 GLN HE22 H 6.87 . 2 158 . 15 LEU N N 122.3 . 1 159 . 15 LEU H H 8.19 . 1 160 . 15 LEU C C 178.0 . 1 161 . 15 LEU CA C 55.8 . 1 162 . 15 LEU HA H 4.29 . 1 163 . 15 LEU CB C 42.1 . 1 164 . 15 LEU HB2 H 1.73 . 2 165 . 15 LEU HB3 H 1.60 . 2 166 . 15 LEU CG C 27.0 . 1 167 . 15 LEU HG H 1.67 . 1 168 . 15 LEU CD1 C 24.9 . 2 169 . 15 LEU HD1 H 0.94 . 2 170 . 15 LEU CD2 C 23.4 . 2 171 . 15 LEU HD2 H 0.88 . 2 172 . 16 GLY N N 107.9 . 1 173 . 16 GLY H H 8.22 . 1 174 . 16 GLY C C 174.2 . 1 175 . 16 GLY CA C 45.3 . 1 176 . 16 GLY HA2 H 3.98 . 2 177 . 16 GLY HA3 H 3.98 . 2 178 . 17 ARG N N 119.6 . 1 179 . 17 ARG H H 8.05 . 1 180 . 17 ARG C C 176.7 . 1 181 . 17 ARG CA C 56.9 . 1 182 . 17 ARG HA H 4.42 . 1 183 . 17 ARG CB C 30.4 . 1 184 . 17 ARG HB2 H 1.91 . 2 185 . 17 ARG HB3 H 1.91 . 2 186 . 17 ARG CG C 27.1 . 1 187 . 17 ARG HG2 H 1.74 . 9 188 . 17 ARG HG3 H 1.74 . 9 189 . 17 ARG CD C 43.7 . 1 190 . 17 ARG HD2 H 3.28 . 2 191 . 17 ARG HD3 H 3.28 . 2 192 . 17 ARG NE N 84.4 . 1 193 . 17 ARG HE H 7.22 . 1 194 . 17 ARG CZ C 159.7 . 1 195 . 18 THR N N 107.1 . 1 196 . 18 THR H H 7.84 . 1 197 . 18 THR C C 174.0 . 1 198 . 18 THR CA C 62.0 . 1 199 . 18 THR HA H 4.17 . 1 200 . 18 THR CB C 69.5 . 1 201 . 18 THR HB H 4.58 . 1 202 . 18 THR CG2 C 22.6 . 1 203 . 18 THR HG2 H 1.23 . 1 204 . 19 THR N N 120.1 . 1 205 . 19 THR H H 7.76 . 1 206 . 19 THR C C 173.5 . 1 207 . 19 THR CA C 62.5 . 1 208 . 19 THR HA H 4.83 . 1 209 . 19 THR CB C 70.4 . 1 210 . 19 THR HB H 3.92 . 1 211 . 19 THR CG2 C 21.7 . 1 212 . 19 THR HG2 H 1.06 . 1 213 . 20 ARG N N 126.0 . 1 214 . 20 ARG H H 9.19 . 1 215 . 20 ARG C C 174.7 . 1 216 . 20 ARG CA C 53.1 . 1 217 . 20 ARG HA H 4.63 . 1 218 . 20 ARG CB C 32.1 . 1 219 . 20 ARG CG C 27.9 . 1 220 . 20 ARG CD C 40.7 . 1 221 . 20 ARG HD2 H 3.28 . 2 222 . 20 ARG HD3 H 3.28 . 2 223 . 20 ARG NE N 80.8 . 1 224 . 20 ARG HE H 7.95 . 1 225 . 20 ARG CZ C 160.6 . 1 226 . 21 ASP N N 129.2 . 1 227 . 21 ASP H H 9.19 . 1 228 . 21 ASP C C 175.9 . 1 229 . 21 ASP CA C 53.1 . 1 230 . 21 ASP HA H 5.77 . 1 231 . 21 ASP CB C 42.1 . 1 232 . 21 ASP HB2 H 3.11 . 2 233 . 21 ASP HB3 H 2.09 . 2 234 . 21 ASP CG C 179.9 . 1 235 . 22 ASP N N 116.4 . 1 236 . 22 ASP H H 7.73 . 1 237 . 22 ASP C C 177.7 . 1 238 . 22 ASP CA C 57.0 . 1 239 . 22 ASP HA H 3.79 . 1 240 . 22 ASP CB C 39.4 . 1 241 . 22 ASP HB2 H 2.61 . 2 242 . 22 ASP HB3 H 2.36 . 2 243 . 22 ASP CG C 180.2 . 1 244 . 23 LEU N N 112.9 . 1 245 . 23 LEU H H 7.60 . 1 246 . 23 LEU C C 177.9 . 1 247 . 23 LEU CA C 56.6 . 1 248 . 23 LEU HA H 4.14 . 1 249 . 23 LEU CB C 41.9 . 1 250 . 23 LEU HB2 H 1.22 . 9 251 . 23 LEU HB3 H 1.22 . 9 252 . 23 LEU CG C 27.1 . 1 253 . 23 LEU HG H 1.44 . 1 254 . 23 LEU CD1 C 27.4 . 2 255 . 23 LEU HD1 H 0.98 . 2 256 . 23 LEU CD2 C 23.8 . 2 257 . 23 LEU HD2 H 1.18 . 2 258 . 24 ILE N N 119.8 . 1 259 . 24 ILE H H 7.51 . 1 260 . 24 ILE C C 177.7 . 1 261 . 24 ILE CA C 64.7 . 1 262 . 24 ILE HA H 3.82 . 1 263 . 24 ILE CB C 38.1 . 1 264 . 24 ILE HB H 1.66 . 1 265 . 24 ILE CG1 C 28.2 . 1 266 . 24 ILE HG12 H 1.40 . 2 267 . 24 ILE HG13 H 1.15 . 2 268 . 24 ILE CG2 C 16.7 . 1 269 . 24 ILE HG2 H 0.85 . 1 270 . 24 ILE CD1 C 13.5 . 1 271 . 24 ILE HD1 H 0.89 . 1 272 . 25 ASN N N 113.2 . 1 273 . 25 ASN H H 7.70 . 1 274 . 25 ASN C C 175.5 . 1 275 . 25 ASN CA C 52.9 . 1 276 . 25 ASN HA H 4.67 . 1 277 . 25 ASN CB C 38.5 . 1 278 . 25 ASN HB2 H 2.84 . 2 279 . 25 ASN HB3 H 2.50 . 2 280 . 25 ASN CG C 176.5 . 1 281 . 25 ASN ND2 N 112.7 . 1 282 . 25 ASN HD21 H 7.38 . 2 283 . 25 ASN HD22 H 7.10 . 2 284 . 26 GLY N N 109.8 . 1 285 . 26 GLY H H 6.89 . 1 286 . 26 GLY C C 172.5 . 1 287 . 26 GLY CA C 45.1 . 1 288 . 26 GLY HA2 H 3.67 . 2 289 . 26 GLY HA3 H 2.73 . 2 290 . 27 ASN N N 120.7 . 1 291 . 27 ASN H H 8.52 . 1 292 . 27 ASN C C 175.7 . 1 293 . 27 ASN CA C 51.9 . 1 294 . 27 ASN HA H 5.07 . 1 295 . 27 ASN CB C 40.9 . 1 296 . 27 ASN HB2 H 3.04 . 2 297 . 27 ASN HB3 H 2.97 . 2 298 . 27 ASN CG C 177.1 . 1 299 . 27 ASN ND2 N 113.6 . 1 300 . 27 ASN HD21 H 7.80 . 2 301 . 27 ASN HD22 H 7.01 . 2 302 . 28 SER N N 119.3 . 1 303 . 28 SER H H 9.07 . 1 304 . 28 SER C C 175.3 . 1 305 . 28 SER CA C 61.0 . 1 306 . 28 SER HA H 4.79 . 1 307 . 28 SER CB C 63.4 . 1 308 . 28 SER HB2 H 4.23 . 2 309 . 28 SER HB3 H 4.07 . 2 310 . 29 ALA N N 123.2 . 1 311 . 29 ALA H H 8.54 . 1 312 . 29 ALA C C 178.2 . 1 313 . 29 ALA CA C 53.3 . 1 314 . 29 ALA HA H 4.44 . 1 315 . 29 ALA CB C 18.5 . 1 316 . 29 ALA HB H 1.50 . 1 317 . 30 SER N N 113.7 . 1 318 . 30 SER H H 8.05 . 1 319 . 30 SER C C 173.7 . 1 320 . 30 SER CA C 56.0 . 1 321 . 30 SER HA H 4.79 . 1 322 . 30 SER CB C 63.3 . 1 323 . 30 SER HB2 H 4.06 . 2 324 . 30 SER HB3 H 4.06 . 2 325 . 31 CYS N N 118.5 . 1 326 . 31 CYS H H 7.80 . 1 327 . 31 CYS C C 175.1 . 1 328 . 31 CYS CA C 60.9 . 1 329 . 31 CYS HA H 3.66 . 1 330 . 31 CYS CB C 43.5 . 1 331 . 31 CYS HB2 H 2.87 . 2 332 . 31 CYS HB3 H 2.63 . 2 333 . 32 ALA N N 122.4 . 1 334 . 32 ALA H H 3.97 . 1 335 . 32 ALA C C 176.1 . 1 336 . 32 ALA CA C 50.1 . 1 337 . 32 ALA HA H 3.96 . 1 338 . 32 ALA CB C 19.2 . 1 339 . 32 ALA HB H 0.25 . 1 340 . 33 ASP N N 117.3 . 1 341 . 33 ASP H H 7.44 . 1 342 . 33 ASP C C 174.5 . 1 343 . 33 ASP CA C 56.0 . 1 344 . 33 ASP HA H 4.32 . 1 345 . 33 ASP CB C 41.4 . 1 346 . 33 ASP HB2 H 2.64 . 2 347 . 33 ASP HB3 H 2.49 . 2 348 . 33 ASP CG C 179.3 . 1 349 . 34 VAL N N 116.9 . 1 350 . 34 VAL H H 7.19 . 1 351 . 34 VAL C C 174.0 . 1 352 . 34 VAL CA C 60.0 . 1 353 . 34 VAL HA H 4.91 . 1 354 . 34 VAL CB C 35.1 . 1 355 . 34 VAL HB H 1.50 . 1 356 . 34 VAL CG1 C 22.0 . 2 357 . 34 VAL HG1 H 0.60 . 2 358 . 34 VAL CG2 C 21.0 . 2 359 . 34 VAL HG2 H 0.05 . 2 360 . 35 ILE N N 125.7 . 1 361 . 35 ILE H H 8.62 . 1 362 . 35 ILE C C 172.6 . 1 363 . 35 ILE CA C 60.6 . 1 364 . 35 ILE HA H 4.88 . 1 365 . 35 ILE CB C 40.8 . 1 366 . 35 ILE HB H 1.74 . 1 367 . 35 ILE CG1 C 27.6 . 1 368 . 35 ILE HG12 H 1.35 . 2 369 . 35 ILE HG13 H 1.08 . 2 370 . 35 ILE CG2 C 16.8 . 1 371 . 35 ILE HG2 H 1.00 . 1 372 . 35 ILE CD1 C 14.8 . 1 373 . 35 ILE HD1 H 0.81 . 1 374 . 36 PHE N N 127.6 . 1 375 . 36 PHE H H 9.34 . 1 376 . 36 PHE C C 172.5 . 1 377 . 36 PHE CA C 54.0 . 1 378 . 36 PHE HA H 5.84 . 1 379 . 36 PHE CB C 41.9 . 1 380 . 36 PHE HB2 H 3.07 . 2 381 . 36 PHE HB3 H 2.64 . 2 382 . 36 PHE CG C 139.4 . 1 383 . 36 PHE HD1 H 7.03 . 1 384 . 36 PHE HD2 H 7.03 . 1 385 . 36 PHE HE1 H 6.95 . 1 386 . 36 PHE HE2 H 6.95 . 1 387 . 37 ILE N N 127.3 . 1 388 . 37 ILE H H 8.01 . 1 389 . 37 ILE C C 173.5 . 1 390 . 37 ILE CA C 59.5 . 1 391 . 37 ILE HA H 5.07 . 1 392 . 37 ILE CB C 39.1 . 1 393 . 37 ILE HB H 1.27 . 1 394 . 37 ILE CG1 C 28.2 . 1 395 . 37 ILE HG12 H 1.43 . 2 396 . 37 ILE HG13 H 0.66 . 2 397 . 37 ILE CG2 C 18.8 . 1 398 . 37 ILE HG2 H 0.37 . 1 399 . 37 ILE CD1 C 13.1 . 1 400 . 37 ILE HD1 H 0.36 . 1 401 . 38 TYR N N 125.4 . 1 402 . 38 TYR H H 8.02 . 1 403 . 38 TYR C C 172.3 . 1 404 . 38 TYR CA C 56.0 . 1 405 . 38 TYR HA H 4.99 . 1 406 . 38 TYR CB C 42.3 . 1 407 . 38 TYR HB2 H 2.10 . 2 408 . 38 TYR HB3 H 1.93 . 2 409 . 38 TYR CG C 128.9 . 1 410 . 38 TYR HD1 H 7.05 . 3 411 . 38 TYR CD2 C 131.2 . 3 412 . 38 TYR HD2 H 6.71 . 3 413 . 38 TYR CE1 C 117.4 . 3 414 . 38 TYR HE1 H 6.91 . 3 415 . 38 TYR CE2 C 116.2 . 3 416 . 38 TYR HE2 H 6.47 . 3 417 . 39 ALA N N 129.6 . 1 418 . 39 ALA H H 7.46 . 1 419 . 39 ALA C C 174.5 . 1 420 . 39 ALA CA C 49.6 . 1 421 . 39 ALA HA H 5.13 . 1 422 . 39 ALA CB C 22.8 . 1 423 . 39 ALA HB H 1.35 . 1 424 . 40 ARG N N 122.1 . 1 425 . 40 ARG H H 8.95 . 1 426 . 40 ARG C C 173.8 . 1 427 . 40 ARG CA C 54.5 . 1 428 . 40 ARG HA H 4.63 . 1 429 . 40 ARG CD C 43.8 . 1 430 . 40 ARG NE N 85.4 . 1 431 . 40 ARG HE H 6.74 . 1 432 . 40 ARG CZ C 159.1 . 1 433 . 41 GLY N N 106.2 . 1 434 . 41 GLY H H 9.67 . 1 435 . 41 GLY C C 174.0 . 1 436 . 41 GLY CA C 44.7 . 1 437 . 41 GLY HA2 H 3.66 . 2 438 . 41 GLY HA3 H 3.66 . 2 439 . 43 THR C C 173.6 . 1 440 . 43 THR CA C 64.2 . 1 441 . 43 THR HA H 4.30 . 1 442 . 43 THR CB C 69.5 . 1 443 . 43 THR HB H 4.58 . 1 444 . 43 THR CG2 C 22.8 . 1 445 . 43 THR HG2 H 1.34 . 1 446 . 44 GLU N N 118.6 . 1 447 . 44 GLU H H 7.50 . 1 448 . 44 GLU C C 177.0 . 1 449 . 44 GLU CA C 58.1 . 1 450 . 44 GLU HA H 4.51 . 1 451 . 45 THR N N 115.6 . 1 452 . 45 THR H H 8.96 . 1 453 . 45 THR C C 173.8 . 1 454 . 45 THR CA C 62.3 . 1 455 . 45 THR HA H 4.38 . 1 456 . 45 THR CB C 70.3 . 1 457 . 45 THR HB H 4.28 . 1 458 . 45 THR CG2 C 21.4 . 1 459 . 45 THR HG2 H 1.29 . 1 460 . 46 GLY N N 108.0 . 1 461 . 46 GLY H H 8.20 . 1 462 . 46 GLY C C 174.2 . 1 463 . 46 GLY CA C 45.7 . 1 464 . 46 GLY HA2 H 3.95 . 2 465 . 46 GLY HA3 H 3.57 . 2 466 . 47 ASN N N 114.1 . 1 467 . 47 ASN H H 8.24 . 1 468 . 47 ASN C C 178.0 . 1 469 . 47 ASN CA C 52.3 . 1 470 . 47 ASN HA H 5.14 . 1 471 . 47 ASN CB C 38.1 . 1 472 . 47 ASN HB2 H 2.96 . 2 473 . 47 ASN HB3 H 2.96 . 2 474 . 47 ASN CG C 176.5 . 1 475 . 47 ASN ND2 N 111.3 . 1 476 . 47 ASN HD21 H 7.03 . 2 477 . 47 ASN HD22 H 6.55 . 2 478 . 48 LEU N N 117.1 . 1 479 . 48 LEU H H 9.08 . 1 480 . 48 LEU C C 178.8 . 1 481 . 48 LEU CA C 54.3 . 1 482 . 48 LEU HA H 5.14 . 1 483 . 48 LEU CB C 46.1 . 1 484 . 48 LEU HB2 H 1.86 . 2 485 . 48 LEU HB3 H 1.24 . 2 486 . 48 LEU CG C 25.7 . 1 487 . 48 LEU HG H 2.01 . 1 488 . 48 LEU CD1 C 26.6 . 2 489 . 48 LEU HD1 H 0.65 . 2 490 . 48 LEU CD2 C 23.0 . 2 491 . 48 LEU HD2 H 0.78 . 2 492 . 49 GLY N N 110.0 . 1 493 . 49 GLY H H 8.29 . 1 494 . 49 GLY C C 171.3 . 1 495 . 49 GLY CA C 47.8 . 1 496 . 49 GLY HA2 H 4.42 . 2 497 . 49 GLY HA3 H 4.11 . 2 498 . 50 THR C C 177.6 . 1 499 . 50 THR CA C 63.7 . 1 500 . 50 THR HA H 4.22 . 1 501 . 50 THR CB C 70.5 . 1 502 . 50 THR HB H 4.05 . 1 503 . 50 THR CG2 C 22.1 . 1 504 . 50 THR HG2 H 1.42 . 1 505 . 51 LEU N N 120.4 . 1 506 . 51 LEU H H 8.26 . 1 507 . 51 LEU C C 178.3 . 1 508 . 51 LEU CA C 55.8 . 1 509 . 51 LEU HA H 4.20 . 1 510 . 51 LEU CB C 40.7 . 1 511 . 51 LEU HB2 H 1.82 . 2 512 . 51 LEU HB3 H 1.82 . 2 513 . 51 LEU CG C 25.7 . 1 514 . 51 LEU HG H 1.25 . 1 515 . 51 LEU CD1 C 24.4 . 2 516 . 51 LEU HD1 H -0.48 . 2 517 . 51 LEU CD2 C 20.5 . 2 518 . 51 LEU HD2 H 0.22 . 2 519 . 52 GLY N N 103.0 . 1 520 . 52 GLY H H 6.67 . 1 521 . 52 GLY C C 171.9 . 1 522 . 52 GLY CA C 48.5 . 1 523 . 52 GLY HA2 H 3.44 . 2 524 . 52 GLY HA3 H 2.86 . 2 525 . 53 PRO C C 179.0 . 1 526 . 53 PRO CA C 65.7 . 1 527 . 53 PRO HA H 4.14 . 1 528 . 53 PRO CB C 31.0 . 1 529 . 53 PRO HB2 H 2.23 . 2 530 . 53 PRO HB3 H 1.83 . 2 531 . 53 PRO CG C 28.8 . 1 532 . 53 PRO CD C 52.2 . 1 533 . 53 PRO HD2 H 3.33 . 2 534 . 53 PRO HD3 H 3.17 . 2 535 . 54 SER N N 113.4 . 1 536 . 54 SER H H 7.05 . 1 537 . 54 SER C C 175.7 . 1 538 . 54 SER CA C 61.4 . 1 539 . 54 SER HA H 4.26 . 1 540 . 54 SER CB C 62.8 . 1 541 . 54 SER HB2 H 3.78 . 2 542 . 54 SER HB3 H 3.57 . 2 543 . 55 ILE N N 121.7 . 1 544 . 55 ILE H H 7.20 . 1 545 . 55 ILE C C 178.0 . 1 546 . 55 ILE CA C 65.3 . 1 547 . 55 ILE HA H 3.57 . 1 548 . 55 ILE CB C 38.8 . 1 549 . 55 ILE HB H 1.66 . 1 550 . 55 ILE CG1 C 28.2 . 1 551 . 55 ILE HG12 H 1.96 . 2 552 . 55 ILE HG13 H 0.98 . 2 553 . 55 ILE CG2 C 18.6 . 1 554 . 55 ILE HG2 H 0.45 . 1 555 . 55 ILE CD1 C 15.0 . 1 556 . 55 ILE HD1 H 0.93 . 1 557 . 56 ALA N N 119.4 . 1 558 . 56 ALA H H 8.31 . 1 559 . 56 ALA C C 178.4 . 1 560 . 56 ALA CA C 55.9 . 1 561 . 56 ALA HA H 3.74 . 1 562 . 56 ALA CB C 19.2 . 1 563 . 56 ALA HB H 1.46 . 1 564 . 57 SER N N 111.3 . 1 565 . 57 SER H H 8.06 . 1 566 . 57 SER C C 176.9 . 1 567 . 57 SER CA C 61.6 . 1 568 . 57 SER HA H 4.26 . 1 569 . 57 SER CB C 62.4 . 1 570 . 57 SER HB2 H 3.95 . 2 571 . 57 SER HB3 H 3.95 . 2 572 . 58 ASN N N 120.2 . 1 573 . 58 ASN H H 7.16 . 1 574 . 58 ASN C C 178.0 . 1 575 . 58 ASN CA C 56.7 . 1 576 . 58 ASN HA H 4.47 . 1 577 . 58 ASN CB C 39.8 . 1 578 . 58 ASN HB2 H 2.70 . 2 579 . 58 ASN HB3 H 2.53 . 2 580 . 58 ASN CG C 174.7 . 1 581 . 58 ASN ND2 N 112.7 . 1 582 . 58 ASN HD21 H 7.40 . 2 583 . 58 ASN HD22 H 6.87 . 2 584 . 59 LEU N N 119.2 . 1 585 . 59 LEU H H 8.27 . 1 586 . 59 LEU C C 178.5 . 1 587 . 59 LEU CA C 58.1 . 1 588 . 59 LEU HA H 3.92 . 1 589 . 59 LEU CB C 41.8 . 1 590 . 59 LEU HB2 H 2.12 . 2 591 . 59 LEU HB3 H 1.30 . 2 592 . 59 LEU CG C 25.8 . 1 593 . 59 LEU HG H 1.80 . 1 594 . 59 LEU CD1 C 26.5 . 2 595 . 59 LEU HD1 H 0.08 . 2 596 . 59 LEU CD2 C 22.1 . 2 597 . 59 LEU HD2 H 0.65 . 2 598 . 60 GLU N N 118.8 . 1 599 . 60 GLU H H 8.64 . 1 600 . 60 GLU C C 179.7 . 1 601 . 60 GLU CA C 59.0 . 1 602 . 60 GLU HA H 3.78 . 1 603 . 60 GLU CB C 29.6 . 1 604 . 60 GLU HB2 H 2.25 . 2 605 . 60 GLU HB3 H 1.86 . 2 606 . 60 GLU CG C 37.0 . 1 607 . 60 GLU HG2 H 2.51 . 2 608 . 60 GLU HG3 H 2.25 . 2 609 . 60 GLU CD C 181.7 . 1 610 . 61 SER N N 114.4 . 1 611 . 61 SER H H 7.71 . 1 612 . 61 SER C C 175.3 . 1 613 . 61 SER CA C 61.3 . 1 614 . 61 SER HA H 4.23 . 1 615 . 61 SER CB C 62.8 . 1 616 . 61 SER HB2 H 3.99 . 2 617 . 61 SER HB3 H 3.99 . 2 618 . 62 ALA N N 121.6 . 1 619 . 62 ALA H H 7.21 . 1 620 . 62 ALA C C 179.0 . 1 621 . 62 ALA CA C 54.2 . 1 622 . 62 ALA HA H 4.07 . 1 623 . 62 ALA CB C 19.1 . 1 624 . 62 ALA HB H 0.83 . 1 625 . 63 PHE N N 112.7 . 1 626 . 63 PHE H H 8.06 . 1 627 . 63 PHE C C 176.5 . 1 628 . 63 PHE CA C 57.5 . 1 629 . 63 PHE HA H 4.88 . 1 630 . 63 PHE CB C 39.9 . 1 631 . 63 PHE HB2 H 3.38 . 2 632 . 63 PHE HB3 H 2.61 . 2 633 . 63 PHE CG C 140.4 . 1 634 . 63 PHE CD1 C 131.7 . 1 635 . 63 PHE HD1 H 7.25 . 1 636 . 63 PHE CD2 C 131.7 . 1 637 . 63 PHE HD2 H 7.25 . 1 638 . 63 PHE HE1 H 7.11 . 1 639 . 63 PHE HE2 H 7.11 . 1 640 . 63 PHE CZ C 128.7 . 9 641 . 63 PHE HZ H 7.12 . 9 642 . 64 GLY N N 110.0 . 1 643 . 64 GLY H H 7.75 . 1 644 . 64 GLY C C 174.5 . 1 645 . 64 GLY CA C 44.5 . 1 646 . 64 GLY HA2 H 4.51 . 2 647 . 64 GLY HA3 H 3.94 . 2 648 . 65 LYS N N 121.0 . 1 649 . 65 LYS H H 8.58 . 1 650 . 65 LYS C C 177.4 . 1 651 . 65 LYS CA C 59.5 . 1 652 . 65 LYS HA H 4.07 . 1 653 . 65 LYS CB C 32.1 . 1 654 . 65 LYS HB2 H 1.90 . 2 655 . 65 LYS HB3 H 1.90 . 2 656 . 65 LYS CG C 24.7 . 1 657 . 65 LYS HG2 H 1.55 . 2 658 . 65 LYS HG3 H 1.55 . 2 659 . 65 LYS CD C 29.0 . 1 660 . 65 LYS HD2 H 1.78 . 2 661 . 65 LYS HD3 H 1.74 . 2 662 . 65 LYS CE C 42.2 . 1 663 . 65 LYS HE2 H 3.08 . 2 664 . 65 LYS HE3 H 3.08 . 2 665 . 66 ASP N N 113.4 . 1 666 . 66 ASP H H 8.56 . 1 667 . 66 ASP C C 176.6 . 1 668 . 66 ASP CA C 54.4 . 1 669 . 66 ASP HA H 4.85 . 1 670 . 66 ASP CB C 40.4 . 1 671 . 66 ASP HB2 H 2.89 . 2 672 . 66 ASP HB3 H 2.72 . 2 673 . 66 ASP CG C 180.2 . 1 674 . 67 GLY N N 106.7 . 1 675 . 67 GLY H H 7.75 . 1 676 . 67 GLY C C 172.5 . 1 677 . 67 GLY CA C 45.6 . 1 678 . 67 GLY HA2 H 4.34 . 2 679 . 67 GLY HA3 H 3.85 . 2 680 . 68 VAL N N 116.2 . 1 681 . 68 VAL H H 7.32 . 1 682 . 68 VAL C C 171.9 . 1 683 . 68 VAL CA C 57.3 . 1 684 . 68 VAL HA H 5.44 . 1 685 . 68 VAL CB C 35.1 . 1 686 . 68 VAL HB H 1.87 . 1 687 . 68 VAL CG1 C 21.8 . 2 688 . 68 VAL HG1 H 0.86 . 2 689 . 68 VAL CG2 C 18.9 . 2 690 . 68 VAL HG2 H 1.04 . 2 691 . 69 TRP N N 125.0 . 1 692 . 69 TRP H H 8.54 . 1 693 . 69 TRP C C 174.2 . 1 694 . 69 TRP CA C 52.1 . 1 695 . 69 TRP HA H 5.59 . 1 696 . 69 TRP CB C 32.8 . 1 697 . 69 TRP HB2 H 3.33 . 2 698 . 69 TRP HB3 H 2.80 . 2 699 . 69 TRP CG C 111.9 . 1 700 . 69 TRP CD1 C 124.5 . 1 701 . 69 TRP HD1 H 7.35 . 1 702 . 69 TRP CD2 C 129.8 . 1 703 . 69 TRP NE1 N 128.6 . 1 704 . 69 TRP HE1 H 10.23 . 1 705 . 69 TRP CE2 C 139.1 . 1 706 . 69 TRP CE3 C 119.3 . 1 707 . 69 TRP HE3 H 7.19 . 1 708 . 69 TRP CZ2 C 116.2 . 1 709 . 69 TRP HZ2 H 7.70 . 1 710 . 69 TRP CZ3 C 124.3 . 1 711 . 69 TRP HZ3 H 6.99 . 1 712 . 69 TRP CH2 C 122.7 . 1 713 . 69 TRP HH2 H 7.03 . 1 714 . 70 ILE N N 123.7 . 1 715 . 70 ILE H H 10.00 . 1 716 . 70 ILE C C 172.9 . 1 717 . 70 ILE CA C 58.7 . 1 718 . 70 ILE HA H 4.63 . 1 719 . 70 ILE CB C 36.3 . 1 720 . 70 ILE HB H 2.02 . 1 721 . 70 ILE CG1 C 26.8 . 1 722 . 70 ILE HG12 H 1.86 . 2 723 . 70 ILE HG13 H 1.53 . 2 724 . 70 ILE CG2 C 17.9 . 1 725 . 70 ILE HG2 H 0.87 . 1 726 . 70 ILE CD1 C 12.7 . 1 727 . 70 ILE HD1 H 0.95 . 1 728 . 71 GLN N N 127.3 . 1 729 . 71 GLN H H 9.08 . 1 730 . 71 GLN C C 174.4 . 1 731 . 71 GLN CA C 52.5 . 1 732 . 71 GLN HA H 4.76 . 1 733 . 71 GLN CB C 32.6 . 1 734 . 71 GLN HB2 H 2.04 . 2 735 . 71 GLN HB3 H 1.78 . 2 736 . 71 GLN CG C 35.0 . 1 737 . 71 GLN HG2 H 2.14 . 2 738 . 71 GLN HG3 H 2.14 . 2 739 . 71 GLN CD C 178.2 . 1 740 . 71 GLN NE2 N 122.3 . 1 741 . 71 GLN HE21 H 9.14 . 2 742 . 71 GLN HE22 H 8.61 . 2 743 . 72 GLY N N 112.5 . 1 744 . 72 GLY H H 8.09 . 1 745 . 72 GLY C C 174.5 . 1 746 . 72 GLY CA C 44.4 . 1 747 . 72 GLY HA2 H 5.44 . 2 748 . 72 GLY HA3 H 3.45 . 2 749 . 73 VAL N N 119.7 . 1 750 . 73 VAL H H 8.42 . 1 751 . 73 VAL C C 175.5 . 1 752 . 73 VAL CA C 63.2 . 1 753 . 73 VAL HA H 4.10 . 1 754 . 73 VAL CB C 31.0 . 1 755 . 73 VAL HB H 2.23 . 1 756 . 73 VAL CG1 C 21.8 . 2 757 . 73 VAL HG1 H 1.00 . 2 758 . 73 VAL CG2 C 20.1 . 2 759 . 73 VAL HG2 H 0.90 . 2 760 . 74 GLY N N 123.1 . 1 761 . 74 GLY H H 9.22 . 1 762 . 74 GLY C C 174.0 . 1 763 . 74 GLY CA C 44.2 . 1 764 . 74 GLY HA2 H 4.85 . 2 765 . 74 GLY HA3 H 3.64 . 2 766 . 75 GLY N N 113.6 . 1 767 . 75 GLY H H 8.55 . 1 768 . 75 GLY C C 175.2 . 1 769 . 75 GLY CA C 47.4 . 1 770 . 75 GLY HA2 H 3.76 . 2 771 . 75 GLY HA3 H 3.58 . 2 772 . 76 ALA N N 129.0 . 1 773 . 76 ALA H H 9.02 . 1 774 . 76 ALA C C 178.0 . 1 775 . 76 ALA CA C 53.0 . 1 776 . 76 ALA HA H 4.17 . 1 777 . 76 ALA CB C 19.6 . 1 778 . 76 ALA HB H 1.46 . 1 779 . 77 TYR N N 116.7 . 1 780 . 77 TYR H H 8.27 . 1 781 . 77 TYR C C 174.1 . 1 782 . 77 TYR CA C 55.2 . 1 783 . 77 TYR HA H 5.20 . 1 784 . 77 TYR CB C 35.8 . 1 785 . 77 TYR HB2 H 3.36 . 2 786 . 77 TYR HB3 H 2.59 . 2 787 . 77 TYR CG C 129.5 . 1 788 . 77 TYR HD1 H 7.17 . 9 789 . 77 TYR HD2 H 7.17 . 9 790 . 77 TYR CE1 C 117.4 . 1 791 . 77 TYR HE1 H 6.71 . 1 792 . 77 TYR CE2 C 117.4 . 1 793 . 77 TYR HE2 H 6.71 . 1 794 . 78 ARG N N 130.3 . 1 795 . 78 ARG H H 9.11 . 1 796 . 78 ARG C C 174.8 . 1 797 . 78 ARG CA C 55.3 . 1 798 . 78 ARG HA H 3.98 . 1 799 . 78 ARG CB C 30.2 . 1 800 . 78 ARG HB2 H 1.93 . 2 801 . 78 ARG HB3 H 1.93 . 2 802 . 78 ARG CG C 26.9 . 1 803 . 78 ARG HG2 H 1.67 . 2 804 . 78 ARG HG3 H 1.67 . 2 805 . 78 ARG CD C 42.9 . 1 806 . 78 ARG HD2 H 3.19 . 2 807 . 78 ARG HD3 H 3.19 . 2 808 . 78 ARG NE N 84.7 . 1 809 . 78 ARG HE H 7.16 . 1 810 . 78 ARG CZ C 159.6 . 1 811 . 79 ALA N N 120.5 . 1 812 . 79 ALA H H 6.70 . 1 813 . 79 ALA C C 175.8 . 1 814 . 79 ALA CA C 52.0 . 1 815 . 79 ALA HA H 3.44 . 1 816 . 79 ALA CB C 16.1 . 1 817 . 79 ALA HB H 0.86 . 1 818 . 80 THR N N 114.4 . 1 819 . 80 THR H H 8.63 . 1 820 . 80 THR C C 177.0 . 1 821 . 80 THR CA C 61.8 . 1 822 . 80 THR HA H 4.32 . 1 823 . 80 THR CB C 69.6 . 1 824 . 80 THR HB H 4.27 . 1 825 . 80 THR CG2 C 22.6 . 1 826 . 80 THR HG2 H 1.23 . 1 827 . 81 LEU N N 127.9 . 1 828 . 81 LEU H H 9.20 . 1 829 . 81 LEU C C 180.4 . 1 830 . 81 LEU CA C 58.4 . 1 831 . 81 LEU HA H 4.04 . 1 832 . 81 LEU CB C 42.1 . 1 833 . 81 LEU HB2 H 1.71 . 2 834 . 81 LEU HB3 H 1.71 . 2 835 . 81 LEU CG C 27.1 . 1 836 . 81 LEU HG H 1.70 . 1 837 . 81 LEU CD1 C 24.5 . 2 838 . 81 LEU HD1 H 1.00 . 2 839 . 81 LEU CD2 C 24.2 . 2 840 . 81 LEU HD2 H 1.03 . 2 841 . 82 GLY N N 105.9 . 1 842 . 82 GLY H H 8.84 . 1 843 . 82 GLY C C 176.0 . 1 844 . 82 GLY CA C 46.7 . 1 845 . 82 GLY HA2 H 3.92 . 2 846 . 82 GLY HA3 H 3.92 . 2 847 . 83 ASP N N 119.7 . 1 848 . 83 ASP H H 7.36 . 1 849 . 83 ASP C C 176.8 . 1 850 . 83 ASP CA C 55.8 . 1 851 . 83 ASP HA H 4.51 . 1 852 . 83 ASP CB C 40.0 . 1 853 . 83 ASP HB2 H 2.94 . 2 854 . 83 ASP HB3 H 2.60 . 2 855 . 83 ASP CG C 178.2 . 1 856 . 84 ASN N N 115.2 . 1 857 . 84 ASN H H 7.52 . 1 858 . 84 ASN C C 175.7 . 1 859 . 84 ASN CA C 55.7 . 1 860 . 84 ASN HA H 4.38 . 1 861 . 84 ASN CB C 39.4 . 1 862 . 84 ASN HB2 H 2.94 . 2 863 . 84 ASN HB3 H 2.79 . 2 864 . 84 ASN CG C 175.9 . 1 865 . 84 ASN ND2 N 114.3 . 1 866 . 84 ASN HD21 H 8.18 . 2 867 . 84 ASN HD22 H 7.10 . 2 868 . 85 ALA N N 117.7 . 1 869 . 85 ALA H H 7.27 . 1 870 . 85 ALA C C 177.6 . 1 871 . 85 ALA CA C 52.1 . 1 872 . 85 ALA HA H 4.29 . 1 873 . 85 ALA CB C 19.2 . 1 874 . 85 ALA HB H 1.46 . 1 875 . 86 LEU N N 120.2 . 1 876 . 86 LEU H H 7.03 . 1 877 . 86 LEU C C 176.8 . 1 878 . 86 LEU CA C 54.2 . 1 879 . 86 LEU HA H 4.45 . 1 880 . 86 LEU CB C 39.1 . 1 881 . 86 LEU HB2 H 1.72 . 2 882 . 86 LEU HB3 H 1.68 . 2 883 . 86 LEU CG C 27.9 . 1 884 . 86 LEU HG H 1.74 . 1 885 . 86 LEU CD1 C 25.4 . 2 886 . 86 LEU HD1 H 0.94 . 2 887 . 86 LEU CD2 C 21.8 . 2 888 . 86 LEU HD2 H 1.00 . 2 889 . 88 ARG C C 178.2 . 1 890 . 88 ARG CD C 43.7 . 1 891 . 88 ARG HD2 H 3.20 . 9 892 . 88 ARG HD3 H 3.20 . 9 893 . 88 ARG NE N 82.0 . 1 894 . 88 ARG HE H 7.20 . 1 895 . 88 ARG CZ C 160.2 . 1 896 . 89 GLY N N 113.1 . 1 897 . 89 GLY H H 8.93 . 1 898 . 89 GLY C C 171.6 . 1 899 . 90 THR N N 109.1 . 1 900 . 90 THR H H 7.27 . 1 901 . 90 THR C C 172.2 . 1 902 . 90 THR CA C 60.2 . 1 903 . 90 THR HA H 4.20 . 1 904 . 90 THR CB C 66.6 . 1 905 . 90 THR HB H 4.47 . 1 906 . 90 THR CG2 C 17.0 . 1 907 . 90 THR HG2 H 0.86 . 1 908 . 91 SER N N 115.6 . 1 909 . 91 SER H H 8.35 . 1 910 . 91 SER C C 175.1 . 1 911 . 91 SER CA C 56.7 . 1 912 . 91 SER HA H 4.73 . 1 913 . 91 SER CB C 65.8 . 1 914 . 91 SER HB2 H 4.45 . 2 915 . 91 SER HB3 H 3.98 . 2 916 . 92 SER N N 118.1 . 1 917 . 92 SER H H 9.17 . 1 918 . 92 SER C C 177.3 . 1 919 . 92 SER CA C 61.6 . 1 920 . 92 SER HA H 4.17 . 1 921 . 92 SER CB C 62.2 . 1 922 . 92 SER HB2 H 4.01 . 2 923 . 92 SER HB3 H 4.01 . 2 924 . 93 ALA N N 124.0 . 1 925 . 93 ALA H H 8.52 . 1 926 . 93 ALA C C 179.9 . 1 927 . 93 ALA CA C 54.8 . 1 928 . 93 ALA HA H 4.07 . 1 929 . 93 ALA CB C 18.3 . 1 930 . 93 ALA HB H 1.50 . 1 931 . 94 ALA N N 122.5 . 1 932 . 94 ALA H H 7.90 . 1 933 . 94 ALA C C 178.4 . 1 934 . 94 ALA CA C 55.8 . 1 935 . 94 ALA HA H 3.82 . 1 936 . 94 ALA CB C 19.7 . 1 937 . 94 ALA HB H 1.73 . 1 938 . 95 ILE N N 119.7 . 1 939 . 95 ILE H H 7.47 . 1 940 . 95 ILE C C 177.8 . 1 941 . 95 ILE CA C 65.1 . 1 942 . 95 ILE HA H 3.52 . 1 943 . 95 ILE CB C 38.5 . 1 944 . 95 ILE HB H 1.80 . 1 945 . 95 ILE CG1 C 29.8 . 1 946 . 95 ILE HG12 H 1.82 . 2 947 . 95 ILE HG13 H 0.64 . 2 948 . 95 ILE CG2 C 16.7 . 1 949 . 95 ILE HG2 H 0.82 . 1 950 . 95 ILE CD1 C 14.5 . 1 951 . 95 ILE HD1 H 0.65 . 1 952 . 96 ARG N N 117.2 . 1 953 . 96 ARG H H 7.85 . 1 954 . 96 ARG C C 179.3 . 1 955 . 96 ARG CA C 59.6 . 1 956 . 96 ARG HA H 3.98 . 1 957 . 96 ARG CB C 29.5 . 1 958 . 96 ARG HB2 H 1.96 . 2 959 . 96 ARG HB3 H 1.96 . 2 960 . 96 ARG CG C 27.6 . 1 961 . 96 ARG HG2 H 1.85 . 2 962 . 96 ARG HG3 H 1.64 . 2 963 . 96 ARG CD C 43.1 . 1 964 . 96 ARG HD2 H 3.28 . 2 965 . 96 ARG HD3 H 3.22 . 2 966 . 96 ARG NE N 83.9 . 1 967 . 96 ARG HE H 7.26 . 1 968 . 96 ARG CZ C 159.7 . 1 969 . 97 GLU N N 121.6 . 1 970 . 97 GLU H H 7.82 . 1 971 . 97 GLU C C 179.1 . 1 972 . 97 GLU CA C 59.0 . 1 973 . 97 GLU HA H 4.03 . 1 974 . 97 GLU CB C 29.9 . 1 975 . 97 GLU HB2 H 2.37 . 2 976 . 97 GLU HB3 H 2.37 . 2 977 . 97 GLU CG C 35.9 . 1 978 . 97 GLU HG2 H 2.89 . 2 979 . 97 GLU HG3 H 1.93 . 2 980 . 97 GLU CD C 183.6 . 1 981 . 98 MET N N 119.9 . 1 982 . 98 MET H H 8.20 . 1 983 . 98 MET C C 178.0 . 1 984 . 98 MET CA C 61.4 . 1 985 . 98 MET HA H 3.85 . 1 986 . 98 MET CB C 31.4 . 1 987 . 98 MET HB2 H 2.48 . 2 988 . 98 MET HB3 H 2.48 . 2 989 . 98 MET CG C 33.6 . 1 990 . 98 MET HG2 H 2.76 . 2 991 . 98 MET HG3 H 1.87 . 2 992 . 98 MET CE C 17.8 . 1 993 . 98 MET HE H 1.81 . 1 994 . 99 LEU N N 119.7 . 1 995 . 99 LEU H H 9.00 . 1 996 . 99 LEU C C 179.5 . 1 997 . 99 LEU CA C 59.5 . 1 998 . 99 LEU HA H 4.17 . 1 999 . 99 LEU CB C 42.7 . 1 1000 . 99 LEU HB2 H 1.99 . 2 1001 . 99 LEU HB3 H 1.59 . 2 1002 . 99 LEU CG C 27.1 . 1 1003 . 99 LEU HG H 1.79 . 1 1004 . 99 LEU CD1 C 26.8 . 2 1005 . 99 LEU HD1 H 0.95 . 2 1006 . 99 LEU CD2 C 24.8 . 2 1007 . 99 LEU HD2 H 1.00 . 2 1008 . 100 GLY N N 105.3 . 1 1009 . 100 GLY H H 8.21 . 1 1010 . 100 GLY C C 176.8 . 1 1011 . 100 GLY CA C 46.8 . 1 1012 . 100 GLY HA2 H 3.98 . 2 1013 . 100 GLY HA3 H 3.98 . 2 1014 . 101 LEU N N 123.3 . 1 1015 . 101 LEU H H 7.74 . 1 1016 . 101 LEU C C 178.8 . 1 1017 . 101 LEU CA C 57.9 . 1 1018 . 101 LEU HA H 4.20 . 1 1019 . 101 LEU CB C 42.0 . 1 1020 . 101 LEU HB2 H 1.95 . 2 1021 . 101 LEU HB3 H 1.00 . 2 1022 . 101 LEU CG C 26.4 . 1 1023 . 101 LEU HG H 2.05 . 1 1024 . 101 LEU CD1 C 28.1 . 2 1025 . 101 LEU HD1 H 1.00 . 2 1026 . 101 LEU CD2 C 22.1 . 2 1027 . 101 LEU HD2 H 0.84 . 2 1028 . 102 PHE N N 118.1 . 1 1029 . 102 PHE H H 8.00 . 1 1030 . 102 PHE C C 178.3 . 1 1031 . 102 PHE CA C 62.5 . 1 1032 . 102 PHE HA H 4.17 . 1 1033 . 102 PHE CB C 39.8 . 1 1034 . 102 PHE HB2 H 3.29 . 2 1035 . 102 PHE HB3 H 2.97 . 2 1036 . 102 PHE CG C 139.1 . 1 1037 . 102 PHE HD1 H 7.17 . 1 1038 . 102 PHE HD2 H 7.17 . 1 1039 . 102 PHE HE1 H 7.07 . 1 1040 . 102 PHE HE2 H 7.07 . 1 1041 . 103 GLN N N 116.7 . 1 1042 . 103 GLN H H 8.32 . 1 1043 . 103 GLN C C 178.7 . 1 1044 . 103 GLN CA C 59.2 . 1 1045 . 103 GLN HA H 4.05 . 1 1046 . 103 GLN CB C 27.6 . 1 1047 . 103 GLN HB2 H 2.37 . 2 1048 . 103 GLN HB3 H 2.20 . 2 1049 . 103 GLN CG C 33.8 . 1 1050 . 103 GLN HG2 H 2.56 . 2 1051 . 103 GLN HG3 H 2.41 . 2 1052 . 103 GLN CD C 179.4 . 1 1053 . 103 GLN NE2 N 110.1 . 1 1054 . 103 GLN HE21 H 7.30 . 2 1055 . 103 GLN HE22 H 6.85 . 2 1056 . 104 GLN N N 121.1 . 1 1057 . 104 GLN H H 8.68 . 1 1058 . 104 GLN C C 177.9 . 1 1059 . 104 GLN CA C 59.2 . 1 1060 . 104 GLN HA H 4.16 . 1 1061 . 104 GLN CB C 28.7 . 1 1062 . 104 GLN HB2 H 2.30 . 2 1063 . 104 GLN HB3 H 2.22 . 2 1064 . 104 GLN CG C 35.0 . 1 1065 . 104 GLN HG2 H 2.65 . 2 1066 . 104 GLN HG3 H 2.12 . 2 1067 . 104 GLN CD C 178.0 . 1 1068 . 104 GLN NE2 N 107.3 . 1 1069 . 104 GLN HE21 H 7.04 . 2 1070 . 104 GLN HE22 H 6.31 . 2 1071 . 105 ALA N N 121.6 . 1 1072 . 105 ALA H H 8.51 . 1 1073 . 105 ALA C C 177.3 . 1 1074 . 105 ALA CA C 55.9 . 1 1075 . 105 ALA HA H 3.95 . 1 1076 . 105 ALA CB C 18.6 . 1 1077 . 105 ALA HB H 1.62 . 1 1078 . 106 ASN N N 112.7 . 1 1079 . 106 ASN H H 7.71 . 1 1080 . 106 ASN C C 175.6 . 1 1081 . 106 ASN CA C 56.5 . 1 1082 . 106 ASN HA H 4.32 . 1 1083 . 106 ASN CB C 41.1 . 1 1084 . 106 ASN HB2 H 2.94 . 2 1085 . 106 ASN HB3 H 2.59 . 2 1086 . 106 ASN CG C 175.4 . 1 1087 . 106 ASN ND2 N 116.1 . 1 1088 . 106 ASN HD21 H 8.25 . 2 1089 . 106 ASN HD22 H 7.04 . 2 1090 . 107 THR N N 111.5 . 1 1091 . 107 THR H H 8.06 . 1 1092 . 107 THR C C 175.8 . 1 1093 . 107 THR CA C 65.1 . 1 1094 . 107 THR HA H 4.05 . 1 1095 . 107 THR CB C 69.4 . 1 1096 . 107 THR HB H 4.22 . 1 1097 . 107 THR CG2 C 21.6 . 1 1098 . 107 THR HG2 H 1.29 . 1 1099 . 108 LYS N N 120.9 . 1 1100 . 108 LYS H H 8.80 . 1 1101 . 108 LYS C C 177.2 . 1 1102 . 108 LYS CA C 60.4 . 1 1103 . 108 LYS HA H 4.08 . 1 1104 . 108 LYS CB C 34.4 . 1 1105 . 108 LYS HB2 H 2.03 . 2 1106 . 108 LYS HB3 H 1.86 . 2 1107 . 108 LYS CG C 26.4 . 1 1108 . 108 LYS HG2 H 1.70 . 2 1109 . 108 LYS HG3 H 1.70 . 2 1110 . 108 LYS CD C 30.4 . 1 1111 . 108 LYS HD2 H 1.69 . 2 1112 . 108 LYS HD3 H 1.61 . 2 1113 . 108 LYS CE C 42.5 . 1 1114 . 108 LYS HE2 H 3.06 . 2 1115 . 108 LYS HE3 H 3.06 . 2 1116 . 109 CYS N N 111.7 . 1 1117 . 109 CYS H H 7.79 . 1 1118 . 109 CYS C C 173.1 . 1 1119 . 109 CYS CA C 51.5 . 1 1120 . 109 CYS HA H 5.36 . 1 1121 . 109 CYS CB C 40.1 . 1 1122 . 109 CYS HB2 H 3.04 . 2 1123 . 109 CYS HB3 H 2.63 . 2 1124 . 110 PRO C C 177.1 . 1 1125 . 110 PRO CA C 64.8 . 1 1126 . 110 PRO HA H 4.42 . 1 1127 . 110 PRO CB C 32.2 . 1 1128 . 110 PRO HB2 H 2.50 . 2 1129 . 110 PRO HB3 H 1.94 . 2 1130 . 110 PRO CG C 27.1 . 1 1131 . 110 PRO HG2 H 2.08 . 2 1132 . 110 PRO HG3 H 1.95 . 2 1133 . 110 PRO CD C 50.0 . 1 1134 . 110 PRO HD2 H 3.67 . 2 1135 . 110 PRO HD3 H 3.42 . 2 1136 . 111 ASP N N 115.2 . 1 1137 . 111 ASP H H 8.70 . 1 1138 . 111 ASP C C 176.1 . 1 1139 . 111 ASP CA C 53.6 . 1 1140 . 111 ASP HA H 4.85 . 1 1141 . 111 ASP CB C 41.1 . 1 1142 . 111 ASP HB2 H 2.87 . 2 1143 . 111 ASP HB3 H 2.53 . 2 1144 . 111 ASP CG C 180.2 . 1 1145 . 112 ALA N N 123.8 . 1 1146 . 112 ALA H H 7.63 . 1 1147 . 112 ALA C C 178.3 . 1 1148 . 112 ALA CA C 52.5 . 1 1149 . 112 ALA HA H 4.25 . 1 1150 . 112 ALA CB C 19.0 . 1 1151 . 112 ALA HB H 1.17 . 1 1152 . 113 THR N N 120.6 . 1 1153 . 113 THR H H 8.74 . 1 1154 . 113 THR C C 172.9 . 1 1155 . 113 THR CA C 63.7 . 1 1156 . 113 THR HA H 4.33 . 1 1157 . 113 THR CB C 70.0 . 1 1158 . 113 THR HB H 3.84 . 1 1159 . 113 THR CG2 C 24.9 . 1 1160 . 113 THR HG2 H 1.48 . 1 1161 . 114 LEU N N 125.2 . 1 1162 . 114 LEU H H 7.85 . 1 1163 . 114 LEU C C 175.2 . 1 1164 . 114 LEU CA C 53.2 . 1 1165 . 114 LEU HA H 5.60 . 1 1166 . 114 LEU CB C 44.2 . 1 1167 . 114 LEU HB2 H 1.81 . 2 1168 . 114 LEU HB3 H 1.35 . 2 1169 . 114 LEU CG C 27.9 . 1 1170 . 114 LEU HG H 1.76 . 1 1171 . 114 LEU CD1 C 25.6 . 2 1172 . 114 LEU HD1 H 0.98 . 2 1173 . 114 LEU CD2 C 24.5 . 2 1174 . 114 LEU HD2 H 0.94 . 2 1175 . 115 ILE N N 115.2 . 1 1176 . 115 ILE H H 9.14 . 1 1177 . 115 ILE C C 174.8 . 1 1178 . 115 ILE CA C 60.6 . 1 1179 . 115 ILE HA H 5.13 . 1 1180 . 115 ILE CB C 43.3 . 1 1181 . 115 ILE HB H 2.18 . 1 1182 . 115 ILE CG1 C 26.9 . 1 1183 . 115 ILE HG12 H 1.83 . 2 1184 . 115 ILE HG13 H 1.01 . 2 1185 . 115 ILE CG2 C 22.6 . 1 1186 . 115 ILE HG2 H 1.29 . 1 1187 . 115 ILE CD1 C 15.7 . 1 1188 . 115 ILE HD1 H 0.74 . 1 1189 . 116 ALA N N 120.6 . 1 1190 . 116 ALA H H 8.44 . 1 1191 . 116 ALA C C 176.9 . 1 1192 . 116 ALA CA C 50.6 . 1 1193 . 116 ALA HA H 5.98 . 1 1194 . 116 ALA CB C 23.1 . 1 1195 . 116 ALA HB H 1.56 . 1 1196 . 117 GLY N N 103.2 . 1 1197 . 117 GLY H H 8.09 . 1 1198 . 117 GLY C C 171.1 . 1 1199 . 117 GLY CA C 46.3 . 1 1200 . 117 GLY HA2 H 5.48 . 2 1201 . 117 GLY HA3 H 4.21 . 2 1202 . 118 GLY N N 102.6 . 1 1203 . 118 GLY H H 8.06 . 1 1204 . 118 GLY C C 171.3 . 1 1205 . 118 GLY CA C 45.9 . 1 1206 . 118 GLY HA2 H 4.47 . 2 1207 . 118 GLY HA3 H 3.51 . 2 1208 . 119 TYR N N 122.2 . 1 1209 . 119 TYR H H 7.57 . 1 1210 . 119 TYR C C 174.9 . 1 1211 . 119 TYR CA C 52.7 . 1 1212 . 119 TYR HA H 6.07 . 1 1213 . 119 TYR CB C 43.0 . 1 1214 . 119 TYR HB2 H 3.43 . 2 1215 . 119 TYR HB3 H 2.83 . 2 1216 . 119 TYR CG C 129.4 . 1 1217 . 119 TYR HD1 H 7.12 . 1 1218 . 119 TYR HD2 H 7.12 . 1 1219 . 119 TYR CE1 C 117.4 . 1 1220 . 119 TYR HE1 H 6.71 . 1 1221 . 119 TYR CE2 C 117.4 . 1 1222 . 119 TYR HE2 H 6.71 . 1 1223 . 120 SER N N 126.6 . 1 1224 . 120 SER H H 9.17 . 1 1225 . 120 SER CA C 59.6 . 1 1226 . 121 GLN C C 176.6 . 1 1227 . 121 GLN CA C 59.5 . 1 1228 . 121 GLN HA H 4.57 . 1 1229 . 121 GLN CB C 27.9 . 1 1230 . 121 GLN HB2 H 2.58 . 2 1231 . 121 GLN HB3 H 2.58 . 2 1232 . 121 GLN CG C 32.0 . 1 1233 . 121 GLN HG2 H 2.44 . 2 1234 . 121 GLN HG3 H 2.44 . 2 1235 . 121 GLN CD C 172.8 . 1 1236 . 121 GLN NE2 N 109.4 . 1 1237 . 121 GLN HE21 H 7.46 . 2 1238 . 121 GLN HE22 H 7.06 . 2 1239 . 122 GLY N N 107.1 . 1 1240 . 122 GLY H H 8.59 . 1 1241 . 122 GLY C C 176.5 . 1 1242 . 122 GLY CA C 47.2 . 1 1243 . 122 GLY HA2 H 3.84 . 2 1244 . 122 GLY HA3 H 3.64 . 2 1245 . 123 ALA N N 123.5 . 1 1246 . 123 ALA H H 7.60 . 1 1247 . 123 ALA C C 178.4 . 1 1248 . 123 ALA CA C 53.8 . 1 1249 . 123 ALA HA H 4.09 . 1 1250 . 123 ALA CB C 19.6 . 1 1251 . 123 ALA HB H 1.76 . 1 1252 . 124 ALA N N 120.7 . 1 1253 . 124 ALA H H 7.41 . 1 1254 . 124 ALA C C 180.3 . 1 1255 . 124 ALA CA C 56.0 . 1 1256 . 124 ALA HA H 4.17 . 1 1257 . 124 ALA CB C 16.4 . 1 1258 . 124 ALA HB H 1.73 . 1 1259 . 125 LEU N N 120.3 . 1 1260 . 125 LEU H H 8.80 . 1 1261 . 125 LEU C C 178.1 . 1 1262 . 125 LEU CA C 58.2 . 1 1263 . 125 LEU HA H 3.94 . 1 1264 . 125 LEU CB C 40.6 . 1 1265 . 125 LEU HB2 H 1.78 . 2 1266 . 125 LEU HB3 H 1.27 . 2 1267 . 125 LEU CG C 26.2 . 1 1268 . 125 LEU HG H 1.62 . 1 1269 . 125 LEU CD1 C 24.7 . 2 1270 . 125 LEU HD1 H -0.01 . 2 1271 . 125 LEU CD2 C 23.8 . 2 1272 . 125 LEU HD2 H 0.65 . 2 1273 . 126 ALA N N 122.9 . 1 1274 . 126 ALA H H 8.33 . 1 1275 . 126 ALA C C 178.0 . 1 1276 . 126 ALA CA C 55.2 . 1 1277 . 126 ALA HA H 4.20 . 1 1278 . 126 ALA CB C 16.3 . 1 1279 . 126 ALA HB H 1.10 . 1 1280 . 127 ALA N N 116.3 . 1 1281 . 127 ALA H H 7.95 . 1 1282 . 127 ALA C C 178.8 . 1 1283 . 127 ALA CA C 54.8 . 1 1284 . 127 ALA HA H 3.95 . 1 1285 . 127 ALA CB C 19.5 . 1 1286 . 127 ALA HB H 1.52 . 1 1287 . 128 ALA N N 119.7 . 1 1288 . 128 ALA H H 8.20 . 1 1289 . 128 ALA C C 178.4 . 1 1290 . 128 ALA CA C 54.6 . 1 1291 . 128 ALA HA H 4.22 . 1 1292 . 128 ALA CB C 18.0 . 1 1293 . 128 ALA HB H 1.40 . 1 1294 . 129 SER N N 111.6 . 1 1295 . 129 SER H H 8.40 . 1 1296 . 129 SER C C 175.0 . 1 1297 . 129 SER CA C 62.5 . 1 1298 . 129 SER HA H 3.95 . 1 1299 . 129 SER CB C 63.2 . 1 1300 . 129 SER HB2 H 3.72 . 2 1301 . 129 SER HB3 H 3.72 . 2 1302 . 130 ILE N N 120.0 . 1 1303 . 130 ILE H H 8.05 . 1 1304 . 130 ILE C C 178.0 . 1 1305 . 130 ILE CA C 66.1 . 1 1306 . 130 ILE HA H 3.20 . 1 1307 . 130 ILE CB C 37.0 . 1 1308 . 130 ILE HB H 1.54 . 1 1309 . 130 ILE CG1 C 30.9 . 1 1310 . 130 ILE HG12 H 1.78 . 2 1311 . 130 ILE HG13 H 0.09 . 2 1312 . 130 ILE CG2 C 17.4 . 1 1313 . 130 ILE HG2 H 0.23 . 1 1314 . 130 ILE CD1 C 14.2 . 1 1315 . 130 ILE HD1 H 0.31 . 1 1316 . 131 GLU N N 121.8 . 1 1317 . 131 GLU H H 8.03 . 1 1318 . 131 GLU C C 177.7 . 1 1319 . 131 GLU CA C 59.7 . 1 1320 . 131 GLU HA H 3.91 . 1 1321 . 131 GLU CB C 28.4 . 1 1322 . 131 GLU HB2 H 2.27 . 2 1323 . 131 GLU HB3 H 2.04 . 2 1324 . 131 GLU CG C 35.5 . 9 1325 . 131 GLU HG2 H 2.47 . 9 1326 . 131 GLU HG3 H 2.30 . 9 1327 . 131 GLU CD C 182.2 . 1 1328 . 132 ASP N N 117.5 . 1 1329 . 132 ASP H H 7.34 . 1 1330 . 132 ASP C C 176.3 . 1 1331 . 132 ASP CA C 55.0 . 1 1332 . 132 ASP HA H 4.42 . 1 1333 . 132 ASP CB C 41.0 . 1 1334 . 132 ASP HB2 H 2.68 . 2 1335 . 132 ASP HB3 H 2.68 . 2 1336 . 132 ASP CG C 179.1 . 1 1337 . 133 LEU N N 124.4 . 1 1338 . 133 LEU H H 7.35 . 1 1339 . 133 LEU C C 175.4 . 1 1340 . 133 LEU CA C 55.0 . 1 1341 . 133 LEU HA H 3.89 . 1 1342 . 133 LEU CB C 43.9 . 1 1343 . 133 LEU HB2 H 1.76 . 2 1344 . 133 LEU HB3 H 1.55 . 2 1345 . 133 LEU CG C 25.6 . 1 1346 . 133 LEU HG H 1.96 . 1 1347 . 133 LEU CD1 C 25.6 . 2 1348 . 133 LEU HD1 H 0.43 . 2 1349 . 133 LEU CD2 C 25.0 . 2 1350 . 133 LEU HD2 H 0.54 . 2 1351 . 134 ASP N N 120.1 . 1 1352 . 134 ASP H H 7.90 . 1 1353 . 134 ASP C C 178.0 . 1 1354 . 134 ASP CA C 54.8 . 1 1355 . 134 ASP HA H 4.51 . 1 1356 . 134 ASP CB C 42.8 . 1 1357 . 134 ASP HB2 H 2.76 . 2 1358 . 134 ASP HB3 H 2.57 . 2 1359 . 134 ASP CG C 179.5 . 1 1360 . 135 SER N N 122.2 . 1 1361 . 135 SER H H 8.92 . 1 1362 . 135 SER C C 175.0 . 1 1363 . 135 SER CA C 62.1 . 1 1364 . 135 SER HA H 3.95 . 1 1365 . 135 SER CB C 62.8 . 1 1366 . 136 ALA N N 122.4 . 1 1367 . 136 ALA H H 8.41 . 1 1368 . 136 ALA C C 179.9 . 1 1369 . 136 ALA CA C 54.8 . 1 1370 . 136 ALA HA H 4.20 . 1 1371 . 136 ALA CB C 18.1 . 1 1372 . 136 ALA HB H 1.47 . 1 1373 . 137 ILE N N 115.0 . 1 1374 . 137 ILE H H 7.33 . 1 1375 . 137 ILE C C 177.7 . 1 1376 . 137 ILE CA C 64.3 . 1 1377 . 137 ILE HA H 3.73 . 1 1378 . 137 ILE CB C 37.4 . 1 1379 . 137 ILE HB H 1.65 . 1 1380 . 137 ILE CG1 C 28.2 . 1 1381 . 137 ILE HG12 H 1.82 . 2 1382 . 137 ILE HG13 H 0.75 . 2 1383 . 137 ILE CG2 C 18.6 . 1 1384 . 137 ILE HG2 H 0.80 . 1 1385 . 137 ILE CD1 C 13.8 . 1 1386 . 137 ILE HD1 H 0.95 . 1 1387 . 138 ARG N N 120.9 . 1 1388 . 138 ARG H H 8.24 . 1 1389 . 138 ARG C C 178.7 . 1 1390 . 138 ARG CA C 59.6 . 1 1391 . 138 ARG HA H 3.59 . 1 1392 . 138 ARG CB C 30.2 . 1 1393 . 138 ARG HB2 H 1.93 . 2 1394 . 138 ARG HB3 H 1.58 . 2 1395 . 138 ARG CG C 28.1 . 1 1396 . 138 ARG HG2 H 1.61 . 9 1397 . 138 ARG HG3 H 1.61 . 9 1398 . 138 ARG CD C 44.0 . 1 1399 . 138 ARG HD2 H 3.42 . 2 1400 . 138 ARG HD3 H 3.42 . 2 1401 . 138 ARG NE N 83.2 . 1 1402 . 138 ARG HE H 7.08 . 1 1403 . 138 ARG CZ C 159.6 . 1 1404 . 139 ASP N N 114.8 . 1 1405 . 139 ASP H H 8.12 . 1 1406 . 139 ASP C C 177.8 . 1 1407 . 139 ASP CA C 56.5 . 1 1408 . 139 ASP HA H 4.48 . 1 1409 . 139 ASP CB C 40.9 . 1 1410 . 139 ASP HB2 H 2.71 . 2 1411 . 139 ASP HB3 H 2.71 . 2 1412 . 139 ASP CG C 179.1 . 1 1413 . 140 LYS N N 116.7 . 1 1414 . 140 LYS H H 7.70 . 1 1415 . 140 LYS C C 176.6 . 1 1416 . 140 LYS CA C 56.9 . 1 1417 . 140 LYS HA H 4.32 . 1 1418 . 140 LYS CB C 32.8 . 1 1419 . 140 LYS HB2 H 2.19 . 2 1420 . 140 LYS HB3 H 2.19 . 2 1421 . 140 LYS CG C 25.3 . 1 1422 . 140 LYS HG2 H 1.83 . 2 1423 . 140 LYS HG3 H 1.57 . 2 1424 . 140 LYS CD C 29.9 . 1 1425 . 140 LYS HD2 H 1.84 . 2 1426 . 140 LYS HD3 H 1.84 . 2 1427 . 140 LYS CE C 42.2 . 1 1428 . 140 LYS HE2 H 3.13 . 2 1429 . 140 LYS HE3 H 3.13 . 2 1430 . 141 ILE N N 119.3 . 1 1431 . 141 ILE H H 7.82 . 1 1432 . 141 ILE C C 177.9 . 1 1433 . 141 ILE CA C 60.0 . 1 1434 . 141 ILE HA H 4.57 . 1 1435 . 141 ILE CB C 35.9 . 1 1436 . 141 ILE HB H 2.22 . 1 1437 . 141 ILE CG1 C 26.5 . 1 1438 . 141 ILE HG12 H 1.91 . 2 1439 . 141 ILE HG13 H 0.54 . 2 1440 . 141 ILE CG2 C 18.9 . 1 1441 . 141 ILE HG2 H 0.70 . 1 1442 . 141 ILE CD1 C 15.9 . 1 1443 . 141 ILE HD1 H 0.12 . 1 1444 . 142 ALA N N 137.2 . 1 1445 . 142 ALA H H 9.44 . 1 1446 . 142 ALA C C 175.8 . 1 1447 . 142 ALA CA C 54.8 . 1 1448 . 142 ALA HA H 4.10 . 1 1449 . 142 ALA CB C 19.2 . 1 1450 . 142 ALA HB H 1.34 . 1 1451 . 143 GLY N N 98.7 . 1 1452 . 143 GLY H H 7.01 . 1 1453 . 143 GLY C C 171.7 . 1 1454 . 143 GLY CA C 45.6 . 1 1455 . 143 GLY HA2 H 5.45 . 2 1456 . 143 GLY HA3 H 3.48 . 2 1457 . 144 THR N N 116.9 . 1 1458 . 144 THR H H 9.23 . 1 1459 . 144 THR C C 173.2 . 1 1460 . 144 THR CA C 62.1 . 1 1461 . 144 THR HA H 5.70 . 1 1462 . 144 THR CB C 72.9 . 1 1463 . 144 THR HB H 3.65 . 1 1464 . 144 THR CG2 C 20.7 . 1 1465 . 144 THR HG2 H 0.73 . 1 1466 . 145 VAL N N 116.0 . 1 1467 . 145 VAL H H 8.43 . 1 1468 . 145 VAL C C 173.4 . 1 1469 . 145 VAL CA C 57.4 . 1 1470 . 145 VAL HA H 5.45 . 1 1471 . 145 VAL CB C 34.1 . 1 1472 . 145 VAL HB H 1.81 . 1 1473 . 145 VAL CG1 C 22.9 . 2 1474 . 145 VAL HG1 H 1.23 . 2 1475 . 145 VAL CG2 C 19.8 . 2 1476 . 145 VAL HG2 H 1.33 . 2 1477 . 146 LEU N N 120.5 . 1 1478 . 146 LEU H H 8.38 . 1 1479 . 146 LEU C C 174.8 . 1 1480 . 146 LEU CA C 51.7 . 1 1481 . 146 LEU HA H 5.38 . 1 1482 . 146 LEU CB C 45.1 . 1 1483 . 146 LEU HB2 H 1.46 . 2 1484 . 146 LEU HB3 H 0.79 . 2 1485 . 146 LEU CG C 25.9 . 1 1486 . 146 LEU HG H 1.15 . 1 1487 . 146 LEU CD1 C 23.4 . 2 1488 . 146 LEU HD1 H -0.33 . 2 1489 . 146 LEU CD2 C 22.9 . 2 1490 . 146 LEU HD2 H 0.64 . 2 1491 . 147 PHE N N 119.0 . 1 1492 . 147 PHE H H 8.99 . 1 1493 . 147 PHE C C 177.3 . 1 1494 . 147 PHE CA C 54.5 . 1 1495 . 147 PHE HA H 5.44 . 1 1496 . 147 PHE CB C 41.0 . 1 1497 . 147 PHE HB2 H 2.82 . 2 1498 . 147 PHE HB3 H 2.17 . 2 1499 . 147 PHE CG C 138.5 . 1 1500 . 147 PHE HD1 H 7.18 . 1 1501 . 147 PHE HD2 H 7.18 . 1 1502 . 147 PHE CE1 C 130.2 . 1 1503 . 147 PHE HE1 H 6.78 . 1 1504 . 147 PHE CE2 C 130.2 . 1 1505 . 147 PHE HE2 H 6.78 . 1 1506 . 147 PHE CZ C 127.3 . 1 1507 . 147 PHE HZ H 6.70 . 1 1508 . 148 GLY N N 114.7 . 1 1509 . 148 GLY H H 9.29 . 1 1510 . 148 GLY C C 173.5 . 1 1511 . 148 GLY CA C 49.4 . 1 1512 . 148 GLY HA2 H 4.31 . 2 1513 . 148 GLY HA3 H 3.79 . 2 1514 . 149 TYR N N 113.9 . 1 1515 . 149 TYR H H 5.76 . 1 1516 . 149 TYR C C 174.7 . 1 1517 . 149 TYR CA C 54.7 . 1 1518 . 149 TYR HA H 4.33 . 1 1519 . 149 TYR CB C 38.5 . 1 1520 . 149 TYR HB2 H 3.13 . 2 1521 . 149 TYR HB3 H 2.69 . 2 1522 . 149 TYR CG C 128.3 . 1 1523 . 149 TYR HD1 H 6.93 . 9 1524 . 149 TYR HD2 H 6.93 . 9 1525 . 149 TYR CE1 C 118.7 . 9 1526 . 149 TYR HE1 H 6.46 . 9 1527 . 149 TYR CE2 C 118.7 . 9 1528 . 149 TYR HE2 H 6.46 . 9 1529 . 150 THR N N 119.8 . 1 1530 . 150 THR H H 6.93 . 1 1531 . 150 THR C C 174.1 . 1 1532 . 150 THR CA C 63.1 . 1 1533 . 150 THR HA H 4.17 . 1 1534 . 150 THR CB C 68.2 . 1 1535 . 150 THR HB H 4.39 . 1 1536 . 150 THR CG2 C 21.9 . 1 1537 . 150 THR HG2 H 1.31 . 1 1538 . 151 LYS N N 114.3 . 1 1539 . 151 LYS H H 5.36 . 1 1540 . 151 LYS C C 174.7 . 1 1541 . 151 LYS CA C 51.8 . 1 1542 . 151 LYS HA H 4.92 . 1 1543 . 151 LYS CB C 31.9 . 1 1544 . 151 LYS HB2 H 1.88 . 2 1545 . 151 LYS HB3 H 1.06 . 2 1546 . 151 LYS CG C 22.7 . 1 1547 . 151 LYS CD C 28.8 . 1 1548 . 151 LYS CE C 41.5 . 1 1549 . 152 ASN N N 118.9 . 1 1550 . 152 ASN H H 6.92 . 1 1551 . 152 ASN C C 176.8 . 1 1552 . 152 ASN CA C 58.7 . 1 1553 . 152 ASN HA H 3.76 . 1 1554 . 152 ASN CB C 40.8 . 1 1555 . 152 ASN HB2 H 3.05 . 2 1556 . 152 ASN HB3 H 3.01 . 2 1557 . 152 ASN CG C 174.5 . 1 1558 . 152 ASN ND2 N 113.7 . 1 1559 . 152 ASN HD21 H 7.69 . 2 1560 . 152 ASN HD22 H 6.82 . 2 1561 . 153 LEU N N 120.0 . 1 1562 . 153 LEU H H 8.71 . 1 1563 . 153 LEU C C 180.5 . 1 1564 . 153 LEU CA C 58.3 . 1 1565 . 153 LEU HA H 4.16 . 1 1566 . 153 LEU CB C 42.1 . 1 1567 . 153 LEU HB2 H 1.73 . 2 1568 . 153 LEU HB3 H 1.73 . 2 1569 . 153 LEU CG C 26.6 . 1 1570 . 153 LEU HG H 1.45 . 1 1571 . 153 LEU CD1 C 25.9 . 2 1572 . 153 LEU HD1 H 0.76 . 2 1573 . 153 LEU CD2 C 23.6 . 2 1574 . 153 LEU HD2 H 0.90 . 2 1575 . 154 GLN N N 121.2 . 1 1576 . 154 GLN H H 9.69 . 1 1577 . 154 GLN C C 177.0 . 1 1578 . 154 GLN CA C 60.2 . 1 1579 . 154 GLN HA H 3.80 . 1 1580 . 154 GLN CB C 27.6 . 1 1581 . 154 GLN HB2 H 1.98 . 2 1582 . 154 GLN HB3 H 1.68 . 2 1583 . 154 GLN CG C 34.2 . 1 1584 . 154 GLN HG2 H 2.87 . 2 1585 . 154 GLN HG3 H 2.45 . 2 1586 . 154 GLN CD C 180.2 . 1 1587 . 154 GLN NE2 N 111.8 . 1 1588 . 154 GLN HE21 H 7.89 . 2 1589 . 154 GLN HE22 H 6.93 . 2 1590 . 155 ASN N N 112.5 . 1 1591 . 155 ASN H H 8.15 . 1 1592 . 155 ASN C C 175.3 . 1 1593 . 155 ASN CA C 51.7 . 1 1594 . 155 ASN HA H 4.99 . 1 1595 . 155 ASN CB C 37.9 . 1 1596 . 155 ASN HB2 H 3.40 . 2 1597 . 155 ASN HB3 H 2.77 . 2 1598 . 155 ASN CG C 176.5 . 1 1599 . 155 ASN ND2 N 109.7 . 1 1600 . 155 ASN HD21 H 7.75 . 2 1601 . 155 ASN HD22 H 6.91 . 2 1602 . 156 ARG N N 120.8 . 1 1603 . 156 ARG H H 7.97 . 1 1604 . 156 ARG C C 176.9 . 1 1605 . 156 ARG CA C 56.8 . 1 1606 . 156 ARG HA H 4.04 . 1 1607 . 156 ARG CB C 27.1 . 1 1608 . 156 ARG HB2 H 1.99 . 2 1609 . 156 ARG HB3 H 1.99 . 2 1610 . 156 ARG CG C 27.1 . 1 1611 . 156 ARG HG2 H 1.64 . 2 1612 . 156 ARG HG3 H 1.64 . 2 1613 . 156 ARG CD C 43.4 . 1 1614 . 156 ARG HD2 H 3.28 . 2 1615 . 156 ARG HD3 H 3.28 . 2 1616 . 156 ARG NE N 85.1 . 1 1617 . 156 ARG HE H 7.14 . 1 1618 . 156 ARG CZ C 159.6 . 1 1619 . 157 GLY N N 103.1 . 1 1620 . 157 GLY H H 9.27 . 1 1621 . 157 GLY C C 173.4 . 1 1622 . 157 GLY CA C 45.7 . 1 1623 . 157 GLY HA2 H 4.07 . 2 1624 . 157 GLY HA3 H 4.07 . 2 1625 . 158 ARG N N 116.1 . 1 1626 . 158 ARG H H 7.38 . 1 1627 . 158 ARG C C 176.1 . 1 1628 . 158 ARG CA C 53.3 . 1 1629 . 158 ARG HA H 4.76 . 1 1630 . 158 ARG CB C 33.1 . 1 1631 . 158 ARG HB2 H 1.95 . 2 1632 . 158 ARG HB3 H 1.88 . 2 1633 . 158 ARG CG C 26.4 . 1 1634 . 158 ARG HG2 H 1.70 . 2 1635 . 158 ARG HG3 H 1.70 . 2 1636 . 158 ARG CD C 42.9 . 1 1637 . 158 ARG HD2 H 3.29 . 2 1638 . 158 ARG HD3 H 3.25 . 2 1639 . 158 ARG NE N 84.0 . 1 1640 . 158 ARG HE H 7.10 . 1 1641 . 158 ARG CZ C 159.5 . 1 1642 . 159 ILE N N 124.1 . 1 1643 . 159 ILE H H 9.82 . 1 1644 . 159 ILE C C 173.2 . 1 1645 . 159 ILE CA C 59.0 . 1 1646 . 159 ILE HA H 4.29 . 1 1647 . 159 ILE CB C 40.0 . 1 1648 . 159 ILE HB H 1.86 . 1 1649 . 159 ILE CG1 C 27.6 . 1 1650 . 159 ILE HG12 H 1.42 . 2 1651 . 159 ILE HG13 H 0.62 . 2 1652 . 159 ILE CG2 C 16.4 . 1 1653 . 159 ILE HG2 H 0.87 . 1 1654 . 159 ILE CD1 C 14.2 . 1 1655 . 159 ILE HD1 H 0.62 . 1 1656 . 160 PRO C C 174.8 . 1 1657 . 160 PRO CA C 63.9 . 1 1658 . 160 PRO HA H 4.13 . 1 1659 . 160 PRO CB C 32.0 . 1 1660 . 160 PRO HB2 H 2.20 . 2 1661 . 160 PRO HB3 H 2.20 . 2 1662 . 160 PRO CG C 27.6 . 1 1663 . 160 PRO HG2 H 1.97 . 2 1664 . 160 PRO HG3 H 1.82 . 2 1665 . 160 PRO CD C 51.5 . 1 1666 . 160 PRO HD2 H 3.68 . 2 1667 . 160 PRO HD3 H 3.57 . 2 1668 . 161 ASN N N 110.5 . 1 1669 . 161 ASN H H 8.22 . 1 1670 . 161 ASN C C 173.1 . 1 1671 . 161 ASN CA C 54.7 . 1 1672 . 161 ASN HA H 4.23 . 1 1673 . 161 ASN CB C 37.4 . 1 1674 . 161 ASN HB2 H 3.30 . 2 1675 . 161 ASN HB3 H 3.06 . 2 1676 . 161 ASN CG C 178.0 . 1 1677 . 161 ASN ND2 N 113.9 . 1 1678 . 161 ASN HD21 H 7.37 . 2 1679 . 161 ASN HD22 H 7.16 . 2 1680 . 162 TYR N N 121.2 . 1 1681 . 162 TYR H H 8.03 . 1 1682 . 162 TYR C C 173.9 . 1 1683 . 162 TYR CA C 54.0 . 1 1684 . 162 TYR HA H 5.23 . 1 1685 . 162 TYR CB C 42.4 . 1 1686 . 162 TYR HB2 H 2.87 . 2 1687 . 162 TYR HB3 H 2.48 . 2 1688 . 162 TYR CG C 128.4 . 1 1689 . 162 TYR HD1 H 6.93 . 9 1690 . 162 TYR HD2 H 6.93 . 9 1691 . 162 TYR CE1 C 118.7 . 9 1692 . 162 TYR HE1 H 6.46 . 9 1693 . 162 TYR CE2 C 118.7 . 9 1694 . 162 TYR HE2 H 6.46 . 9 1695 . 163 PRO C C 178.4 . 1 1696 . 163 PRO CA C 63.5 . 1 1697 . 163 PRO HA H 4.25 . 1 1698 . 163 PRO CB C 32.7 . 1 1699 . 163 PRO HB2 H 2.35 . 2 1700 . 163 PRO HB3 H 1.59 . 2 1701 . 163 PRO CG C 27.1 . 1 1702 . 163 PRO HG2 H 1.81 . 2 1703 . 163 PRO HG3 H 1.53 . 2 1704 . 163 PRO CD C 51.7 . 1 1705 . 163 PRO HD2 H 3.69 . 2 1706 . 163 PRO HD3 H 2.30 . 2 1707 . 164 ALA N N 129.4 . 1 1708 . 164 ALA H H 8.99 . 1 1709 . 164 ALA C C 180.4 . 1 1710 . 164 ALA CA C 55.3 . 1 1711 . 164 ALA HA H 4.14 . 1 1712 . 164 ALA CB C 18.1 . 1 1713 . 164 ALA HB H 1.51 . 1 1714 . 165 ASP N N 113.2 . 1 1715 . 165 ASP H H 8.51 . 1 1716 . 165 ASP C C 176.5 . 1 1717 . 165 ASP CA C 55.6 . 1 1718 . 165 ASP HA H 4.54 . 1 1719 . 165 ASP CB C 39.7 . 1 1720 . 165 ASP HB2 H 2.85 . 2 1721 . 165 ASP HB3 H 2.68 . 2 1722 . 165 ASP CG C 179.5 . 1 1723 . 166 ARG N N 115.3 . 1 1724 . 166 ARG H H 6.93 . 1 1725 . 166 ARG C C 174.4 . 1 1726 . 166 ARG CA C 56.3 . 1 1727 . 166 ARG HA H 4.56 . 1 1728 . 166 ARG CB C 30.6 . 1 1729 . 166 ARG CG C 27.6 . 1 1730 . 166 ARG CD C 43.6 . 1 1731 . 166 ARG HD2 H 3.39 . 2 1732 . 166 ARG HD3 H 2.38 . 2 1733 . 166 ARG NE N 85.2 . 1 1734 . 166 ARG HE H 7.58 . 1 1735 . 166 ARG CZ C 159.2 . 1 1736 . 167 THR N N 116.5 . 1 1737 . 167 THR H H 8.03 . 1 1738 . 167 THR C C 172.1 . 1 1739 . 167 THR CA C 62.3 . 1 1740 . 167 THR HA H 4.86 . 1 1741 . 167 THR CB C 70.3 . 1 1742 . 167 THR HB H 4.32 . 1 1743 . 167 THR CG2 C 20.0 . 1 1744 . 167 THR HG2 H 0.98 . 1 1745 . 168 LYS N N 127.5 . 1 1746 . 168 LYS H H 8.29 . 1 1747 . 168 LYS C C 173.0 . 1 1748 . 168 LYS CA C 54.7 . 1 1749 . 168 LYS HA H 4.20 . 1 1750 . 168 LYS CB C 32.4 . 1 1751 . 168 LYS HB2 H 0.88 . 2 1752 . 168 LYS HB3 H -0.37 . 2 1753 . 168 LYS CG C 25.0 . 1 1754 . 168 LYS HG2 H 0.22 . 2 1755 . 168 LYS HG3 H 0.22 . 2 1756 . 168 LYS CD C 28.1 . 1 1757 . 168 LYS HD2 H 1.07 . 2 1758 . 168 LYS HD3 H 1.07 . 2 1759 . 168 LYS CE C 41.9 . 1 1760 . 168 LYS HE2 H 2.62 . 2 1761 . 168 LYS HE3 H 2.30 . 2 1762 . 169 VAL N N 126.7 . 1 1763 . 169 VAL H H 8.48 . 1 1764 . 169 VAL C C 175.1 . 1 1765 . 169 VAL CA C 61.0 . 1 1766 . 169 VAL HA H 4.27 . 1 1767 . 169 VAL CB C 32.8 . 1 1768 . 169 VAL HB H 1.97 . 1 1769 . 169 VAL CG1 C 22.1 . 2 1770 . 169 VAL HG1 H 0.90 . 2 1771 . 169 VAL CG2 C 21.8 . 2 1772 . 169 VAL HG2 H 0.73 . 2 1773 . 170 PHE N N 128.8 . 1 1774 . 170 PHE H H 9.33 . 1 1775 . 170 PHE C C 172.9 . 1 1776 . 170 PHE CA C 57.3 . 1 1777 . 170 PHE HA H 4.70 . 1 1778 . 170 PHE CB C 38.9 . 1 1779 . 170 PHE HB2 H 3.56 . 2 1780 . 170 PHE HB3 H 2.91 . 2 1781 . 170 PHE CG C 139.9 . 1 1782 . 170 PHE CD1 C 133.3 . 1 1783 . 170 PHE HD1 H 6.88 . 1 1784 . 170 PHE CD2 C 133.3 . 1 1785 . 170 PHE HD2 H 6.88 . 1 1786 . 170 PHE HE1 H 6.95 . 1 1787 . 170 PHE HE2 H 6.95 . 1 1788 . 170 PHE CZ C 127.0 . 1 1789 . 170 PHE HZ H 6.66 . 1 1790 . 171 CYS N N 127.3 . 1 1791 . 171 CYS H H 9.06 . 1 1792 . 171 CYS C C 174.8 . 1 1793 . 171 CYS CA C 58.2 . 1 1794 . 171 CYS HA H 5.84 . 1 1795 . 171 CYS CB C 46.8 . 1 1796 . 171 CYS HB2 H 3.45 . 2 1797 . 171 CYS HB3 H 3.12 . 2 1798 . 172 ASN N N 123.4 . 1 1799 . 172 ASN H H 9.43 . 1 1800 . 172 ASN C C 177.1 . 1 1801 . 172 ASN CA C 52.7 . 1 1802 . 172 ASN HA H 4.99 . 1 1803 . 172 ASN CB C 39.1 . 1 1804 . 172 ASN HB2 H 2.92 . 2 1805 . 172 ASN HB3 H 2.39 . 2 1806 . 172 ASN CG C 174.2 . 1 1807 . 172 ASN ND2 N 111.5 . 1 1808 . 172 ASN HD21 H 7.26 . 2 1809 . 172 ASN HD22 H 5.56 . 2 1810 . 173 THR N N 121.5 . 1 1811 . 173 THR H H 9.14 . 1 1812 . 173 THR C C 175.5 . 1 1813 . 173 THR CA C 64.9 . 1 1814 . 173 THR HA H 4.09 . 1 1815 . 173 THR CB C 68.6 . 1 1816 . 173 THR HB H 4.08 . 1 1817 . 173 THR CG2 C 21.9 . 1 1818 . 173 THR HG2 H 1.31 . 1 1819 . 174 GLY N N 114.5 . 1 1820 . 174 GLY H H 9.09 . 1 1821 . 174 GLY C C 173.9 . 1 1822 . 174 GLY CA C 45.3 . 1 1823 . 174 GLY HA2 H 4.22 . 2 1824 . 174 GLY HA3 H 3.73 . 2 1825 . 175 ASP N N 115.8 . 1 1826 . 175 ASP H H 8.04 . 1 1827 . 175 ASP C C 176.4 . 1 1828 . 175 ASP CA C 52.9 . 1 1829 . 175 ASP HA H 4.79 . 1 1830 . 175 ASP CB C 39.3 . 1 1831 . 175 ASP HB2 H 3.80 . 2 1832 . 175 ASP HB3 H 2.31 . 2 1833 . 175 ASP CG C 180.6 . 1 1834 . 176 LEU N N 126.7 . 1 1835 . 176 LEU H H 7.57 . 1 1836 . 176 LEU C C 179.3 . 1 1837 . 176 LEU CA C 56.7 . 1 1838 . 176 LEU HA H 4.19 . 1 1839 . 176 LEU CB C 40.2 . 1 1840 . 176 LEU HB2 H 1.99 . 2 1841 . 176 LEU HB3 H 1.58 . 2 1842 . 176 LEU CG C 27.1 . 1 1843 . 176 LEU HG H 1.72 . 1 1844 . 176 LEU CD1 C 25.4 . 2 1845 . 176 LEU HD1 H 0.94 . 2 1846 . 176 LEU CD2 C 22.1 . 2 1847 . 176 LEU HD2 H 0.84 . 2 1848 . 177 VAL N N 112.4 . 1 1849 . 177 VAL H H 7.53 . 1 1850 . 177 VAL C C 177.8 . 1 1851 . 177 VAL CA C 61.7 . 1 1852 . 177 VAL HA H 5.07 . 1 1853 . 177 VAL CB C 29.9 . 1 1854 . 177 VAL HB H 2.24 . 1 1855 . 177 VAL CG1 C 19.7 . 2 1856 . 177 VAL HG1 H 0.88 . 2 1857 . 177 VAL CG2 C 19.4 . 2 1858 . 177 VAL HG2 H 0.55 . 2 1859 . 178 CYS N N 115.2 . 1 1860 . 178 CYS H H 7.69 . 1 1861 . 178 CYS C C 174.6 . 1 1862 . 178 CYS CA C 58.8 . 1 1863 . 178 CYS HA H 4.85 . 1 1864 . 178 CYS CB C 47.4 . 1 1865 . 178 CYS HB2 H 4.24 . 2 1866 . 178 CYS HB3 H 3.28 . 2 1867 . 179 THR N N 109.1 . 1 1868 . 179 THR H H 7.64 . 1 1869 . 179 THR C C 174.9 . 1 1870 . 179 THR CA C 60.3 . 1 1871 . 179 THR HA H 4.48 . 1 1872 . 179 THR CB C 67.8 . 1 1873 . 179 THR HB H 4.66 . 1 1874 . 179 THR CG2 C 21.5 . 1 1875 . 179 THR HG2 H 1.12 . 1 1876 . 180 GLY N N 107.8 . 1 1877 . 180 GLY H H 8.05 . 1 1878 . 180 GLY C C 173.5 . 1 1879 . 180 GLY CA C 46.2 . 1 1880 . 180 GLY HA2 H 4.23 . 2 1881 . 180 GLY HA3 H 3.64 . 2 1882 . 181 SER N N 113.6 . 1 1883 . 181 SER H H 7.43 . 1 1884 . 181 SER C C 173.7 . 1 1885 . 181 SER CA C 56.1 . 1 1886 . 181 SER HA H 4.79 . 1 1887 . 181 SER CB C 64.7 . 1 1888 . 181 SER HB2 H 3.83 . 2 1889 . 181 SER HB3 H 3.58 . 2 1890 . 182 LEU N N 121.5 . 1 1891 . 182 LEU H H 8.41 . 1 1892 . 182 LEU C C 176.5 . 1 1893 . 182 LEU CA C 54.0 . 1 1894 . 182 LEU HA H 4.60 . 1 1895 . 182 LEU CB C 42.2 . 1 1896 . 182 LEU HB2 H 1.71 . 2 1897 . 182 LEU HB3 H 1.51 . 2 1898 . 182 LEU CG C 26.6 . 1 1899 . 182 LEU HG H 1.59 . 1 1900 . 182 LEU CD1 C 25.2 . 2 1901 . 182 LEU HD1 H 0.85 . 2 1902 . 182 LEU CD2 C 22.6 . 2 1903 . 182 LEU HD2 H 0.87 . 2 1904 . 183 ILE N N 122.1 . 1 1905 . 183 ILE H H 7.71 . 1 1906 . 183 ILE C C 174.8 . 1 1907 . 183 ILE CA C 61.4 . 1 1908 . 183 ILE HA H 3.78 . 1 1909 . 183 ILE CB C 38.1 . 1 1910 . 183 ILE HB H 1.72 . 1 1911 . 183 ILE CG1 C 27.6 . 1 1912 . 183 ILE HG12 H 1.53 . 2 1913 . 183 ILE HG13 H 1.17 . 2 1914 . 183 ILE CG2 C 17.3 . 1 1915 . 183 ILE HG2 H 0.81 . 1 1916 . 183 ILE CD1 C 12.0 . 1 1917 . 183 ILE HD1 H 0.85 . 1 1918 . 184 VAL N N 127.5 . 1 1919 . 184 VAL H H 8.36 . 1 1920 . 184 VAL C C 174.0 . 1 1921 . 184 VAL CA C 63.5 . 1 1922 . 184 VAL HA H 3.73 . 1 1923 . 184 VAL CB C 31.7 . 1 1924 . 184 VAL HB H 2.03 . 1 1925 . 184 VAL CG1 C 21.5 . 2 1926 . 184 VAL HG1 H 1.02 . 2 1927 . 184 VAL CG2 C 21.1 . 2 1928 . 184 VAL HG2 H 0.86 . 2 1929 . 185 ALA N N 134.0 . 1 1930 . 185 ALA H H 8.99 . 1 1931 . 185 ALA C C 177.0 . 1 1932 . 185 ALA CA C 49.7 . 1 1933 . 185 ALA HA H 4.88 . 1 1934 . 185 ALA CB C 22.4 . 1 1935 . 185 ALA HB H 1.67 . 1 1936 . 186 ALA N N 122.1 . 1 1937 . 186 ALA H H 8.79 . 1 1938 . 186 ALA C C 177.1 . 1 1939 . 186 ALA CA C 57.1 . 1 1940 . 186 ALA HA H 4.26 . 1 1941 . 186 ALA CB C 16.2 . 1 1942 . 186 ALA HB H 1.57 . 1 1943 . 187 PRO C C 178.0 . 1 1944 . 187 PRO CA C 65.4 . 1 1945 . 187 PRO HA H 4.46 . 1 1946 . 187 PRO CB C 32.3 . 1 1947 . 188 HIS N N 113.9 . 1 1948 . 188 HIS H H 8.74 . 1 1949 . 188 HIS C C 175.1 . 1 1950 . 188 HIS CA C 57.5 . 1 1951 . 188 HIS HA H 5.17 . 1 1952 . 188 HIS CB C 30.2 . 1 1953 . 188 HIS HB2 H 3.72 . 2 1954 . 188 HIS HB3 H 3.52 . 2 1955 . 188 HIS HD2 H 7.23 . 9 1956 . 188 HIS CE1 C 136.2 . 1 1957 . 188 HIS HE1 H 8.63 . 1 1958 . 189 LEU N N 118.0 . 1 1959 . 189 LEU H H 8.11 . 1 1960 . 189 LEU C C 176.8 . 1 1961 . 189 LEU CA C 53.9 . 1 1962 . 189 LEU HA H 4.62 . 1 1963 . 189 LEU CB C 40.3 . 1 1964 . 189 LEU HB2 H 2.07 . 2 1965 . 189 LEU HB3 H 1.83 . 2 1966 . 189 LEU CG C 27.9 . 1 1967 . 189 LEU HG H 1.76 . 1 1968 . 189 LEU CD1 C 24.9 . 2 1969 . 189 LEU HD1 H 1.02 . 2 1970 . 189 LEU CD2 C 22.9 . 2 1971 . 189 LEU HD2 H 1.00 . 2 1972 . 190 ALA N N 122.3 . 1 1973 . 190 ALA H H 6.49 . 1 1974 . 190 ALA C C 177.1 . 1 1975 . 190 ALA CA C 51.0 . 1 1976 . 190 ALA HA H 4.85 . 1 1977 . 190 ALA CB C 19.2 . 1 1978 . 190 ALA HB H 1.20 . 1 1979 . 191 TYR N N 117.5 . 1 1980 . 191 TYR H H 8.32 . 1 1981 . 191 TYR C C 175.3 . 1 1982 . 191 TYR CA C 60.2 . 1 1983 . 191 TYR HA H 4.79 . 1 1984 . 191 TYR CB C 38.4 . 1 1985 . 191 TYR HB2 H 3.20 . 2 1986 . 191 TYR HB3 H 2.46 . 2 1987 . 191 TYR CG C 128.3 . 9 1988 . 191 TYR HD1 H 6.93 . 9 1989 . 191 TYR HD2 H 6.93 . 9 1990 . 191 TYR CE1 C 118.7 . 9 1991 . 191 TYR HE1 H 6.46 . 9 1992 . 191 TYR CE2 C 118.7 . 9 1993 . 191 TYR HE2 H 6.46 . 9 1994 . 192 GLY N N 110.0 . 1 1995 . 192 GLY H H 8.75 . 1 1996 . 192 GLY C C 174.2 . 1 1997 . 192 GLY CA C 48.5 . 1 1998 . 192 GLY HA2 H 3.92 . 2 1999 . 192 GLY HA3 H 3.50 . 2 2000 . 193 PRO C C 180.0 . 1 2001 . 193 PRO CA C 65.5 . 1 2002 . 193 PRO HA H 4.09 . 1 2003 . 193 PRO CB C 31.6 . 1 2004 . 193 PRO HB2 H 2.37 . 2 2005 . 193 PRO HB3 H 1.93 . 2 2006 . 193 PRO CG C 28.1 . 1 2007 . 193 PRO HG2 H 1.88 . 2 2008 . 193 PRO HG3 H 1.88 . 2 2009 . 193 PRO CD C 50.6 . 1 2010 . 193 PRO HD2 H 3.56 . 2 2011 . 193 PRO HD3 H 3.51 . 2 2012 . 194 ASP N N 116.8 . 1 2013 . 194 ASP H H 7.39 . 1 2014 . 194 ASP C C 178.0 . 1 2015 . 194 ASP CA C 56.9 . 1 2016 . 194 ASP HA H 4.43 . 1 2017 . 194 ASP CB C 40.8 . 1 2018 . 194 ASP HB2 H 2.82 . 2 2019 . 194 ASP HB3 H 2.82 . 2 2020 . 194 ASP CG C 180.1 . 1 2021 . 195 ALA N N 122.6 . 1 2022 . 195 ALA H H 7.95 . 1 2023 . 195 ALA C C 174.7 . 1 2024 . 195 ALA CA C 54.8 . 1 2025 . 195 ALA HA H 3.87 . 1 2026 . 195 ALA CB C 19.3 . 1 2027 . 195 ALA HB H 1.20 . 1 2028 . 196 ARG N N 108.5 . 1 2029 . 196 ARG H H 7.10 . 1 2030 . 196 ARG C C 176.6 . 1 2031 . 196 ARG CA C 56.3 . 1 2032 . 196 ARG HA H 4.17 . 1 2033 . 196 ARG CB C 31.6 . 1 2034 . 196 ARG HB2 H 1.82 . 2 2035 . 196 ARG HB3 H 1.82 . 2 2036 . 196 ARG CG C 28.2 . 1 2037 . 196 ARG HG2 H 1.70 . 2 2038 . 196 ARG HG3 H 1.60 . 2 2039 . 196 ARG CD C 43.6 . 1 2040 . 196 ARG HD2 H 3.20 . 2 2041 . 196 ARG HD3 H 3.12 . 2 2042 . 196 ARG NE N 84.6 . 1 2043 . 196 ARG HE H 7.26 . 1 2044 . 196 ARG CZ C 159.5 . 1 2045 . 197 GLY N N 103.8 . 1 2046 . 197 GLY H H 7.06 . 1 2047 . 197 GLY C C 171.2 . 1 2048 . 197 GLY CA C 45.6 . 1 2049 . 197 GLY HA2 H 4.43 . 2 2050 . 197 GLY HA3 H 3.92 . 2 2051 . 198 PRO C C 178.8 . 1 2052 . 198 PRO CA C 65.1 . 1 2053 . 198 PRO HA H 4.54 . 1 2054 . 198 PRO CB C 32.9 . 1 2055 . 198 PRO HB2 H 2.70 . 2 2056 . 198 PRO HB3 H 2.20 . 2 2057 . 198 PRO CG C 28.1 . 1 2058 . 198 PRO HG2 H 2.41 . 2 2059 . 198 PRO HG3 H 2.32 . 2 2060 . 198 PRO CD C 51.3 . 1 2061 . 198 PRO HD2 H 3.84 . 2 2062 . 198 PRO HD3 H 3.84 . 2 2063 . 199 ALA N N 118.2 . 1 2064 . 199 ALA H H 8.74 . 1 2065 . 199 ALA C C 174.9 . 1 2066 . 199 ALA CA C 56.4 . 1 2067 . 199 ALA HA H 4.57 . 1 2068 . 199 ALA CB C 17.8 . 1 2069 . 199 ALA HB H 1.50 . 1 2070 . 200 PRO C C 177.1 . 1 2071 . 200 PRO CA C 65.9 . 1 2072 . 200 PRO HA H 4.15 . 1 2073 . 200 PRO CB C 29.4 . 1 2074 . 200 PRO HB2 H 2.02 . 2 2075 . 200 PRO HB3 H 2.02 . 2 2076 . 200 PRO CG C 28.0 . 1 2077 . 200 PRO CD C 50.6 . 1 2078 . 200 PRO HD2 H 3.78 . 2 2079 . 200 PRO HD3 H 3.42 . 2 2080 . 201 GLU N N 115.5 . 1 2081 . 201 GLU H H 7.66 . 1 2082 . 201 GLU C C 178.1 . 1 2083 . 201 GLU CA C 59.9 . 1 2084 . 201 GLU HA H 3.91 . 1 2085 . 201 GLU CB C 29.0 . 1 2086 . 201 GLU HB2 H 2.10 . 2 2087 . 201 GLU HB3 H 2.10 . 2 2088 . 201 GLU CG C 35.6 . 9 2089 . 201 GLU HG2 H 2.44 . 9 2090 . 201 GLU HG3 H 2.34 . 9 2091 . 201 GLU CD C 182.1 . 1 2092 . 202 PHE N N 119.8 . 1 2093 . 202 PHE H H 7.87 . 1 2094 . 202 PHE C C 176.3 . 1 2095 . 202 PHE CA C 61.3 . 1 2096 . 202 PHE HA H 4.35 . 1 2097 . 202 PHE CB C 38.9 . 1 2098 . 202 PHE HB2 H 3.37 . 2 2099 . 202 PHE HB3 H 3.37 . 2 2100 . 202 PHE CG C 138.4 . 1 2101 . 202 PHE HD1 H 7.18 . 1 2102 . 202 PHE HD2 H 7.18 . 1 2103 . 202 PHE HE1 H 7.17 . 1 2104 . 202 PHE HE2 H 7.17 . 1 2105 . 203 LEU N N 116.5 . 1 2106 . 203 LEU H H 7.62 . 1 2107 . 203 LEU C C 178.3 . 1 2108 . 203 LEU CA C 57.9 . 1 2109 . 203 LEU HA H 3.72 . 1 2110 . 203 LEU CB C 42.0 . 1 2111 . 203 LEU HB2 H 2.06 . 2 2112 . 203 LEU HB3 H 1.33 . 2 2113 . 203 LEU CG C 25.8 . 1 2114 . 203 LEU HG H 2.22 . 1 2115 . 203 LEU CD1 C 26.8 . 2 2116 . 203 LEU HD1 H 0.79 . 2 2117 . 203 LEU CD2 C 21.8 . 2 2118 . 203 LEU HD2 H 1.15 . 2 2119 . 204 ILE N N 118.5 . 1 2120 . 204 ILE H H 8.81 . 1 2121 . 204 ILE C C 177.7 . 1 2122 . 204 ILE CA C 66.3 . 1 2123 . 204 ILE HA H 3.54 . 1 2124 . 204 ILE CB C 38.5 . 1 2125 . 204 ILE HB H 1.69 . 1 2126 . 204 ILE CG1 C 30.4 . 1 2127 . 204 ILE HG12 H 1.61 . 2 2128 . 204 ILE HG13 H 0.50 . 2 2129 . 204 ILE CG2 C 16.9 . 1 2130 . 204 ILE HG2 H 0.70 . 1 2131 . 204 ILE CD1 C 14.7 . 1 2132 . 204 ILE HD1 H 0.56 . 1 2133 . 205 GLU N N 118.7 . 1 2134 . 205 GLU H H 7.99 . 1 2135 . 205 GLU C C 180.0 . 1 2136 . 205 GLU CA C 59.3 . 1 2137 . 205 GLU HA H 3.96 . 1 2138 . 205 GLU CB C 28.5 . 1 2139 . 205 GLU HB2 H 2.13 . 2 2140 . 205 GLU HB3 H 2.13 . 2 2141 . 205 GLU CG C 35.5 . 9 2142 . 205 GLU HG2 H 2.47 . 9 2143 . 205 GLU HG3 H 2.30 . 9 2144 . 205 GLU CD C 182.2 . 1 2145 . 206 LYS N N 117.7 . 1 2146 . 206 LYS H H 7.93 . 1 2147 . 206 LYS C C 179.9 . 1 2148 . 206 LYS CA C 56.9 . 1 2149 . 206 LYS HA H 4.01 . 1 2150 . 206 LYS CB C 30.2 . 1 2151 . 206 LYS HB2 H 1.53 . 9 2152 . 206 LYS HB3 H 1.53 . 9 2153 . 206 LYS CG C 23.3 . 1 2154 . 206 LYS HG2 H 0.88 . 9 2155 . 206 LYS HG3 H 0.88 . 9 2156 . 206 LYS CD C 26.9 . 1 2157 . 206 LYS HD2 H 1.53 . 9 2158 . 206 LYS HD3 H 1.46 . 9 2159 . 206 LYS CE C 43.1 . 1 2160 . 206 LYS HE2 H 3.02 . 2 2161 . 206 LYS HE3 H 2.60 . 2 2162 . 207 VAL N N 120.0 . 1 2163 . 207 VAL H H 8.30 . 1 2164 . 207 VAL C C 177.9 . 1 2165 . 207 VAL CA C 66.9 . 1 2166 . 207 VAL HA H 3.45 . 1 2167 . 207 VAL CB C 32.0 . 1 2168 . 207 VAL HB H 2.36 . 1 2169 . 207 VAL CG1 C 23.9 . 2 2170 . 207 VAL HG1 H 0.99 . 2 2171 . 207 VAL CG2 C 22.1 . 2 2172 . 207 VAL HG2 H 0.70 . 2 2173 . 208 ARG N N 118.3 . 1 2174 . 208 ARG H H 8.66 . 1 2175 . 208 ARG C C 178.9 . 1 2176 . 208 ARG CA C 59.7 . 1 2177 . 208 ARG HA H 4.04 . 1 2178 . 208 ARG CB C 29.6 . 1 2179 . 208 ARG HB2 H 1.90 . 2 2180 . 208 ARG HB3 H 1.90 . 2 2181 . 208 ARG CG C 28.3 . 9 2182 . 208 ARG HG2 H 1.99 . 9 2183 . 208 ARG HG3 H 1.99 . 9 2184 . 208 ARG CD C 43.5 . 1 2185 . 208 ARG HD2 H 3.15 . 2 2186 . 208 ARG HD3 H 3.15 . 2 2187 . 208 ARG NE N 84.7 . 1 2188 . 208 ARG HE H 7.11 . 1 2189 . 208 ARG CZ C 159.3 . 1 2190 . 209 ALA N N 119.5 . 1 2191 . 209 ALA H H 7.79 . 1 2192 . 209 ALA C C 179.5 . 1 2193 . 209 ALA CA C 54.4 . 1 2194 . 209 ALA HA H 4.21 . 1 2195 . 209 ALA CB C 18.1 . 1 2196 . 209 ALA HB H 1.52 . 1 2197 . 210 VAL N N 114.7 . 1 2198 . 210 VAL H H 7.43 . 1 2199 . 210 VAL C C 177.6 . 1 2200 . 210 VAL CA C 64.0 . 1 2201 . 210 VAL HA H 4.19 . 1 2202 . 210 VAL CB C 32.5 . 1 2203 . 210 VAL HB H 2.28 . 1 2204 . 210 VAL CG1 C 21.9 . 2 2205 . 210 VAL HG1 H 1.17 . 2 2206 . 210 VAL CG2 C 21.2 . 2 2207 . 210 VAL HG2 H 1.08 . 2 2208 . 211 ARG N N 119.2 . 1 2209 . 211 ARG H H 8.27 . 1 2210 . 211 ARG C C 177.4 . 1 2211 . 211 ARG CA C 57.7 . 1 2212 . 211 ARG HA H 4.35 . 1 2213 . 211 ARG CB C 30.6 . 1 2214 . 211 ARG HB2 H 1.98 . 2 2215 . 211 ARG HB3 H 1.75 . 2 2216 . 211 ARG CG C 28.6 . 1 2217 . 211 ARG HG2 H 1.83 . 2 2218 . 211 ARG HG3 H 1.53 . 2 2219 . 211 ARG CD C 42.7 . 1 2220 . 211 ARG HD2 H 3.16 . 2 2221 . 211 ARG HD3 H 2.88 . 2 2222 . 211 ARG NE N 82.6 . 1 2223 . 211 ARG HE H 7.46 . 1 2224 . 211 ARG CZ C 159.4 . 1 2225 . 212 GLY N N 108.0 . 1 2226 . 212 GLY H H 7.97 . 1 2227 . 212 GLY C C 173.9 . 1 2228 . 212 GLY CA C 45.5 . 1 2229 . 212 GLY HA2 H 4.07 . 2 2230 . 212 GLY HA3 H 4.07 . 2 2231 . 213 SER N N 115.0 . 1 2232 . 213 SER H H 8.12 . 1 2233 . 213 SER C C 173.3 . 1 2234 . 213 SER CA C 58.0 . 1 2235 . 213 SER HA H 4.54 . 1 2236 . 213 SER CB C 64.1 . 1 2237 . 213 SER HB2 H 3.91 . 2 2238 . 213 SER HB3 H 3.91 . 2 2239 . 214 ALA N N 130.9 . 1 2240 . 214 ALA H H 7.97 . 1 2241 . 214 ALA C C 182.2 . 1 2242 . 214 ALA CA C 53.8 . 1 2243 . 214 ALA HA H 4.19 . 1 2244 . 214 ALA CB C 20.0 . 1 2245 . 214 ALA HB H 1.38 . 1 stop_ save_