data_4340 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete 1H, 15N and 13C Assignment of a Recombinant Mouse Major Urinary Protein ; _BMRB_accession_number 4340 _BMRB_flat_file_name bmr4340.str _Entry_type original _Submission_date 1999-05-02 _Accession_date 1999-05-03 _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 Abbate Francesco . . 2 Franzoni Lorella . . 3 Loehr Frank . . 4 Luecke Christian . . 5 Ferrari Elena . . 6 Sorbi Robert T. . 7 Rueterjans Heinz . . 8 Spisni Alberto . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 984 "13C chemical shifts" 771 "15N chemical shifts" 183 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-05-15 original author . stop_ _Original_release_date 2000-05-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Abbate, F., Franzoni, L., Loehr, F., Luecke, C., Ferrari, E., Sorbi, R. T., Rueterjans, H., and Spisni, A., "Complete 1H, 15N and 13C Assignment of a Recombinant Mouse Major Urinary Protein," J. Biomol. NMR 15, 187-188 (1999). ; _Citation_title 'Complete 1H, 15N and 13C Assignment of a Recombinant Mouse Major Urinary Protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20073019 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Abbate Francesco . . 2 Franzoni Lorella . . 3 Loehr Frank . . 4 Luecke Christian . . 5 Ferrari Elena . . 6 Sorbi Robert T. . 7 Rueterjans Heinz . . 8 Spisni Alberto . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 15 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 187 _Page_last 188 _Year 1999 _Details . loop_ _Keyword lipocalin 'major urinary protein' pheromones stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_1 _Saveframe_category citation _Citation_full ; Ferrari, E., Lodi, T., Sorbi, R.T., Tirindelli, R., C Avaggioni, A. and Spisni, A. (1997) FEBS Letters 401, 73-77 ; _Citation_title 'Expression of a lipocalin in Pichia pastoris: secretion, purification and binding activity of a recombinant mouse major urinary protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9003809 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ferrari E . . 2 Lodi T . . 3 Sorbi 'R T' T. . 4 Tirindelli R . . 5 Cavaggioni A . . 6 Spisni A . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 401 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 73 _Page_last 77 _Year 1997 _Details ; The proteins of the mouse major urinary protein complex (MUP), members of the lipocalin family, bind volatile pheromones and interact with the vomeronasal neuroepithelium of the olfactory system. We report the expression of a MUP protein using its native signal sequence for secretion in the methylotrophic yeast, Pichia pastoris. Mature recombinant MUP (rMUP) is secreted at a concentration of 270 mg/l in minimal medium and it is isolated from the culture supernatant by one step ion-exchange chromatography in a nearly pure form. Binding activity, tested with an odorant molecule which displays high affinity for native MUP, indicates that rMUP has a behavior similar to the native one. This finding suggests that the protein, and in particular its hydrophobic binding pocket, is properly folded. ; save_ ################################## # Molecular system description # ################################## save_system_rMUP _Saveframe_category molecular_system _Mol_system_name 'major urinary protein' _Abbreviation_common rMUP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rMUP $rMUP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'ligand binding' pheromone stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rMUP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Mouse major urinary protein' _Abbreviation_common rMUP _Molecular_mass 18707 _Mol_thiol_state . _Details 'recombinantly expressed protein isoform' ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; EEASSTGRNFNVEKINGEWH TIILASDKREKIEDNGNFRL FLEQIHVLEKSLVLKFHTVR DEECSELSMVADKTEKAGEY SVTYDGFNTFTIPKTDYDNF LMAHLINEKDGETFQLMGLY GREPDLSSDIKERFAQLCEE HGILRENIIDLSNANRCLQA RE ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 GLU 3 ALA 4 SER 5 SER 6 THR 7 GLY 8 ARG 9 ASN 10 PHE 11 ASN 12 VAL 13 GLU 14 LYS 15 ILE 16 ASN 17 GLY 18 GLU 19 TRP 20 HIS 21 THR 22 ILE 23 ILE 24 LEU 25 ALA 26 SER 27 ASP 28 LYS 29 ARG 30 GLU 31 LYS 32 ILE 33 GLU 34 ASP 35 ASN 36 GLY 37 ASN 38 PHE 39 ARG 40 LEU 41 PHE 42 LEU 43 GLU 44 GLN 45 ILE 46 HIS 47 VAL 48 LEU 49 GLU 50 LYS 51 SER 52 LEU 53 VAL 54 LEU 55 LYS 56 PHE 57 HIS 58 THR 59 VAL 60 ARG 61 ASP 62 GLU 63 GLU 64 CYS 65 SER 66 GLU 67 LEU 68 SER 69 MET 70 VAL 71 ALA 72 ASP 73 LYS 74 THR 75 GLU 76 LYS 77 ALA 78 GLY 79 GLU 80 TYR 81 SER 82 VAL 83 THR 84 TYR 85 ASP 86 GLY 87 PHE 88 ASN 89 THR 90 PHE 91 THR 92 ILE 93 PRO 94 LYS 95 THR 96 ASP 97 TYR 98 ASP 99 ASN 100 PHE 101 LEU 102 MET 103 ALA 104 HIS 105 LEU 106 ILE 107 ASN 108 GLU 109 LYS 110 ASP 111 GLY 112 GLU 113 THR 114 PHE 115 GLN 116 LEU 117 MET 118 GLY 119 LEU 120 TYR 121 GLY 122 ARG 123 GLU 124 PRO 125 ASP 126 LEU 127 SER 128 SER 129 ASP 130 ILE 131 LYS 132 GLU 133 ARG 134 PHE 135 ALA 136 GLN 137 LEU 138 CYS 139 GLU 140 GLU 141 HIS 142 GLY 143 ILE 144 LEU 145 ARG 146 GLU 147 ASN 148 ILE 149 ILE 150 ASP 151 LEU 152 SER 153 ASN 154 ALA 155 ASN 156 ARG 157 CYS 158 LEU 159 GLN 160 ALA 161 ARG 162 GLU 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 BMRB 17447 MUP11 100.00 176 99.38 99.38 1.34e-113 PDB 1DF3 "Solution Structure Of A Recombinant Mouse Major Urinary Protein" 100.00 162 100.00 100.00 1.03e-114 PDB 1I04 "Crystal Structure Of Mouse Major Urinary Protein-I From Mouse Liver" 100.00 180 99.38 99.38 1.66e-113 PDB 1I05 "Crystal Structure Of Mouse Major Urinary Protein (Mup-I) Complexed With Hydroxy-Methyl-Heptanone" 100.00 180 99.38 99.38 1.66e-113 PDB 1I06 "Crystal Structure Of Mouse Major Urinary Protein (Mup-I) Complexed With Sec-Butyl-Thiazoline" 100.00 180 99.38 99.38 1.66e-113 PDB 1JV4 "Crystal Structure Of Recombinant Major Mouse Urinary Protein (Rmup) At 1.75 A Resolution" 100.00 162 100.00 100.00 1.03e-114 PDB 1MUP "Pheromone Binding To Two Rodent Urinary Proteins Revealed By X-Ray Crystallography" 100.00 166 99.38 99.38 1.19e-113 PDB 1QY0 "Thermodynamics Of Binding Of 2-Methoxy-3-Isopropylpyrazine And 2- Methoxy-3-Isobutylpyrazine To The Major Urinary Protein" 100.00 174 100.00 100.00 2.14e-114 PDB 1QY1 "Thermodynamics Of Binding Of 2-Methoxy-3-Isopropylpyrazine And 2- Methoxy-3-Isobutylpyrazine To The Major Urinary Protein" 100.00 174 100.00 100.00 2.14e-114 PDB 1QY2 "Thermodynamics Of Binding Of 2-Methoxy-3-Isopropylpyrazine And 2- Methoxy-3-Isobutylpyrazine To The Major Urinary Protein" 100.00 174 100.00 100.00 2.14e-114 PDB 1YP6 "Van Der Waals Interactions Dominate Hydrophobic Association In A Protein Binding Site Occluded From Solvent Water" 100.00 174 99.38 100.00 9.24e-114 PDB 1YP7 "Van Der Waals Interactions Dominate Hydrophobic Association In A Protein Binding Site Occluded From Solvent Water" 100.00 174 99.38 100.00 9.24e-114 PDB 1ZND "Strong Solute-solute Dispersive Interactions In A Protein- Ligand Complex" 100.00 174 100.00 100.00 2.14e-114 PDB 1ZNE "Strong Solute-Solute Dispersive Interactions In A Protein- Ligand Complex" 100.00 174 100.00 100.00 2.14e-114 PDB 1ZNG "Strong Solute-Solute Dispersive Interactions In A Protein- Ligand Complex" 100.00 174 100.00 100.00 2.14e-114 PDB 1ZNH "Strong Solute-Solute Dispersive Interactions In A Protein- Ligand Complex" 100.00 174 100.00 100.00 2.14e-114 PDB 1ZNK "Strong Solute-Solute Dispersive Interactions In A Protein- Ligand Complex" 100.00 174 100.00 100.00 2.14e-114 PDB 1ZNL "Strong Solute-Solute Dispersive Interactions In A Protein- Ligand Complex" 100.00 174 100.00 100.00 2.14e-114 PDB 2DM5 "Thermodynamic Penalty Arising From Burial Of A Ligand Polar Group Within A Hydrophobic Pocket Of A Protein Receptor" 100.00 174 100.00 100.00 2.14e-114 PDB 2LB6 "Structure Of 18694da Mup, Typical To The Major Urinary Protein Family: Mup9, Mup11, Mup15, Mup18 & Mup19" 100.00 176 99.38 99.38 1.34e-113 PDB 2OZQ "Crystal Structure Of Apo-Mup" 100.00 174 100.00 100.00 2.14e-114 DBJ BAB27604 "unnamed protein product [Mus musculus]" 63.58 157 100.00 100.00 3.68e-69 DBJ BAB28753 "unnamed protein product [Mus musculus]" 100.00 180 99.38 99.38 1.66e-113 DBJ BAB29093 "unnamed protein product [Mus musculus]" 100.00 181 98.15 99.38 1.03e-112 EMBL CAA26953 "major urinary protein [Mus musculus]" 100.00 180 98.77 98.77 5.72e-113 EMBL CAA27227 "MUP [Mus musculus]" 92.59 151 99.33 99.33 9.53e-105 EMBL CAA27729 "MUP [Mus musculus]" 83.95 136 98.53 99.26 9.98e-93 EMBL CAC34259 "Major Urinary Protein [Mus musculus]" 100.00 180 100.00 100.00 2.13e-114 EMBL CAQ11104 "novel member of the major urinary protein (Mup) gene family [Mus musculus]" 100.00 180 97.53 97.53 9.62e-111 GB AAA39764 "major urinary protein [Mus musculus]" 100.00 178 97.53 98.15 4.77e-111 GB AAA39765 "major urinary protein, partial [Mus musculus]" 92.59 151 99.33 99.33 9.53e-105 GB AAA39767 "major urinary protein I [Mus musculus domesticus]" 100.00 180 98.77 99.38 5.02e-113 GB AAA39768 "major urinary protein II [Mus musculus domesticus]" 100.00 180 99.38 100.00 7.83e-114 GB AAB47130 "uMUP-VIII=18.695 kda major urinary protein [mice, Balb/c, urine, Peptide, 162 aa]" 100.00 162 99.38 99.38 6.47e-114 REF NP_001039015 "major urinary protein 2 isoform 1 precursor [Mus musculus]" 100.00 180 98.77 99.38 3.65e-113 REF NP_001116119 "major urinary protein 10 precursor [Mus musculus]" 100.00 180 100.00 100.00 1.73e-114 REF NP_001128116 "major urinary protein LOC100048885 precursor [Mus musculus]" 100.00 180 97.53 97.53 9.62e-111 REF NP_001128147 "major urinary protein 7 precursor [Mus musculus]" 95.06 235 98.05 98.70 1.29e-104 REF NP_001128148 "major urinary protein 8 precursor [Mus musculus]" 95.06 235 98.05 98.05 1.01e-103 SP B5X0G2 "RecName: Full=Major urinary protein 17; Short=MUP 17; Flags: Precursor" 100.00 180 97.53 98.77 2.62e-111 SP P02762 "RecName: Full=Major urinary protein 6; Short=MUP 6; AltName: Full=Alpha-2U-globulin; AltName: Full=Group 1, BS6; AltName: Aller" 100.00 180 99.38 99.38 1.66e-113 SP P04938 "RecName: Full=Major urinary proteins 11 and 8; AltName: Full=MUP11 and MUP8" 92.59 151 99.33 99.33 9.53e-105 SP P11588 "RecName: Full=Major urinary protein 1; Short=MUP 1; Flags: Precursor" 100.00 180 98.77 99.38 5.02e-113 SP P11589 "RecName: Full=Major urinary protein 2; Short=MUP 2; Flags: Precursor" 100.00 180 99.38 100.00 7.83e-114 TPG DAA06299 "TPA_inf: major urinary protein 3 [Mus musculus]" 100.00 180 98.15 98.77 3.11e-112 TPG DAA06300 "TPA_inf: major urinary protein 4 [Mus musculus]" 100.00 180 98.77 99.38 3.65e-113 TPG DAA06301 "TPA_inf: major urinary protein 5 [Mus musculus]" 100.00 180 98.15 98.15 1.27e-111 TPG DAA06302 "TPA_inf: major urinary protein 6 [Mus musculus]" 100.00 180 99.38 99.38 1.66e-113 TPG DAA06303 "TPA_inf: major urinary protein 7 [Mus musculus]" 100.00 180 98.77 99.38 4.08e-113 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Secretion _Details $rMUP Mouse 10090 Eukaryota Metazoa Mus musculus urine 'only produced by sexually mature male mice' 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 $rMUP 'recombinant technology' Yeast Pichia pastoris . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rMUP 2.7 mM [U-15N] stop_ save_ save_13C_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rMUP 1.7 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_XWIN-NMR _Saveframe_category software _Name XWIN-NMR _Version 1.3 loop_ _Task 'NMR data processing' stop_ _Details 'commercial software package (BRUKER)' save_ save_AURELIA _Saveframe_category software _Name AURELIA _Version 2.5.9 loop_ _Task 'NMR data analysis' stop_ _Details 'commercial software package (BRUKER)' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_(HCA)CO(CA)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label . save_ save_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _Sample_label . save_ save_H(N)CA,CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(N)CA,CO _Sample_label . save_ save_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HBHA(CC)(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CC)(CO)NH _Sample_label . save_ save_CC(CO)NH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH-TOCSY _Sample_label . save_ save_H(C)CH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _Sample_label . save_ save_(H)CB(CGC)CH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CB(CGC)CH-TOCSY _Sample_label . save_ save_1H-15N_NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label . save_ save_1H-13C_NOESY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY-HSQC' _Sample_label . save_ save_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(N)CA,CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CC)(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CB(CGC)CH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_rMUP_exp_cond _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 0.1 na temperature 308 0.1 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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_rMUP_chem_shifts _Saveframe_category assigned_chemical_shifts _Details 'spin system heterogeneities have been observed for several amino acid residues' loop_ _Sample_label $15N_sample $13C_15N_sample stop_ _Sample_conditions_label $rMUP_exp_cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name rMUP _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 GLU HA H 4.12 . 1 2 . 1 GLU HB2 H 2.16 . 1 3 . 1 GLU HB3 H 2.16 . 1 4 . 1 GLU HG2 H 2.34 . 1 5 . 1 GLU HG3 H 2.34 . 1 6 . 1 GLU C C 171.5 . 1 7 . 1 GLU CA C 55.2 . 1 8 . 1 GLU CB C 30.4 . 1 9 . 1 GLU CG C 35.1 . 1 10 . 1 GLU CD C 183.1 . 1 11 . 2 GLU H H 8.47 . 1 12 . 2 GLU HA H 4.87 . 1 13 . 2 GLU HB2 H 1.92 . 1 14 . 2 GLU HB3 H 1.92 . 1 15 . 2 GLU HG2 H 2.38 . 1 16 . 2 GLU HG3 H 2.17 . 1 17 . 2 GLU C C 175.3 . 1 18 . 2 GLU CA C 55.0 . 1 19 . 2 GLU CB C 31.9 . 1 20 . 2 GLU CG C 36.9 . 1 21 . 2 GLU CD C 183.3 . 1 22 . 2 GLU N N 119.9 . 1 23 . 3 ALA H H 8.84 . 1 24 . 3 ALA HA H 4.78 . 1 25 . 3 ALA HB H 1.40 . 1 26 . 3 ALA C C 174.9 . 1 27 . 3 ALA CA C 50.9 . 1 28 . 3 ALA CB C 23.6 . 1 29 . 3 ALA N N 125.3 . 1 30 . 4 SER H H 8.10 . 1 31 . 4 SER HA H 4.83 . 1 32 . 4 SER HB2 H 3.84 . 1 33 . 4 SER HB3 H 3.67 . 1 34 . 4 SER C C 176.3 . 1 35 . 4 SER CA C 54.6 . 1 36 . 4 SER CB C 65.8 . 1 37 . 4 SER N N 111.9 . 1 38 . 5 SER H H 9.27 . 1 39 . 5 SER HA H 4.63 . 1 40 . 5 SER HB2 H 3.65 . 1 41 . 5 SER HB3 H 3.09 . 1 42 . 5 SER C C 174.0 . 1 43 . 5 SER CA C 60.2 . 1 44 . 5 SER CB C 60.2 . 1 45 . 5 SER N N 120.6 . 1 46 . 6 THR H H 7.16 . 1 47 . 6 THR HA H 3.96 . 1 48 . 6 THR HB H 4.41 . 1 49 . 6 THR HG2 H 1.14 . 1 50 . 6 THR C C 174.9 . 1 51 . 6 THR CA C 61.0 . 1 52 . 6 THR CB C 68.3 . 1 53 . 6 THR CG2 C 21.0 . 1 54 . 6 THR N N 108.8 . 1 55 . 7 GLY H H 7.66 . 1 56 . 7 GLY HA2 H 4.36 . 1 57 . 7 GLY HA3 H 3.86 . 1 58 . 7 GLY C C 174.7 . 1 59 . 7 GLY CA C 44.1 . 1 60 . 7 GLY N N 110.8 . 1 61 . 8 ARG H H 8.62 . 9 62 . 8 ARG HA H 4.22 . 1 63 . 8 ARG HB2 H 1.83 . 1 64 . 8 ARG HB3 H 1.83 . 1 65 . 8 ARG HG2 H 1.72 . 1 66 . 8 ARG HG3 H 1.72 . 1 67 . 8 ARG HD2 H 3.23 . 1 68 . 8 ARG HD3 H 3.23 . 1 69 . 8 ARG HE H 7.15 . 1 70 . 8 ARG C C 176.7 . 1 71 . 8 ARG CA C 57.2 . 1 72 . 8 ARG CB C 30.0 . 1 73 . 8 ARG CG C 26.9 . 1 74 . 8 ARG CD C 43.0 . 1 75 . 8 ARG N N 120.6 . 9 76 . 8 ARG NE N 85.3 . 1 77 . 9 ASN H H 8.64 . 1 78 . 9 ASN HA H 4.68 . 1 79 . 9 ASN HB2 H 2.94 . 1 80 . 9 ASN HB3 H 2.91 . 1 81 . 9 ASN HD21 H 7.74 . 1 82 . 9 ASN HD22 H 6.97 . 1 83 . 9 ASN C C 174.8 . 1 84 . 9 ASN CA C 52.5 . 1 85 . 9 ASN CB C 37.7 . 1 86 . 9 ASN CG C 178.0 . 1 87 . 9 ASN N N 115.5 . 1 88 . 9 ASN ND2 N 113.0 . 1 89 . 10 PHE H H 7.76 . 1 90 . 10 PHE HA H 4.22 . 1 91 . 10 PHE HB2 H 3.56 . 1 92 . 10 PHE HB3 H 2.95 . 1 93 . 10 PHE HD1 H 7.22 . 1 94 . 10 PHE HD2 H 7.22 . 1 95 . 10 PHE HE1 H 7.17 . 1 96 . 10 PHE HE2 H 7.17 . 1 97 . 10 PHE HZ H 7.08 . 1 98 . 10 PHE C C 174.8 . 1 99 . 10 PHE CA C 57.9 . 1 100 . 10 PHE CB C 39.6 . 1 101 . 10 PHE CD1 C 132.6 . 1 102 . 10 PHE CD2 C 132.6 . 1 103 . 10 PHE CE1 C 130.0 . 1 104 . 10 PHE CE2 C 130.0 . 1 105 . 10 PHE CZ C 127.6 . 1 106 . 10 PHE N N 121.8 . 1 107 . 11 ASN H H 7.72 . 1 108 . 11 ASN HA H 4.73 . 1 109 . 11 ASN HB2 H 2.48 . 1 110 . 11 ASN HB3 H 2.25 . 1 111 . 11 ASN HD21 H 7.27 . 1 112 . 11 ASN HD22 H 6.80 . 1 113 . 11 ASN C C 173.9 . 1 114 . 11 ASN CA C 50.3 . 1 115 . 11 ASN CB C 38.0 . 1 116 . 11 ASN CG C 176.8 . 1 117 . 11 ASN N N 127.9 . 1 118 . 11 ASN ND2 N 110.3 . 1 119 . 12 VAL H H 8.08 . 1 120 . 12 VAL HA H 3.18 . 1 121 . 12 VAL HB H 2.06 . 1 122 . 12 VAL HG1 H 1.13 . 1 123 . 12 VAL HG2 H 0.95 . 1 124 . 12 VAL C C 175.1 . 1 125 . 12 VAL CA C 63.9 . 1 126 . 12 VAL CB C 31.6 . 1 127 . 12 VAL CG1 C 21.8 . 1 128 . 12 VAL CG2 C 19.0 . 1 129 . 12 VAL N N 123.5 . 1 130 . 13 GLU H H 8.07 . 1 131 . 13 GLU HA H 3.75 . 1 132 . 13 GLU HB2 H 1.87 . 1 133 . 13 GLU HB3 H 1.87 . 1 134 . 13 GLU HG2 H 2.21 . 1 135 . 13 GLU HG3 H 2.11 . 1 136 . 13 GLU C C 179.1 . 1 137 . 13 GLU CA C 59.1 . 1 138 . 13 GLU CB C 28.4 . 1 139 . 13 GLU CG C 36.4 . 1 140 . 13 GLU CD C 184.3 . 9 141 . 13 GLU N N 118.3 . 1 142 . 14 LYS H H 7.33 . 1 143 . 14 LYS HA H 3.97 . 1 144 . 14 LYS HB2 H 1.31 . 1 145 . 14 LYS HB3 H 0.98 . 1 146 . 14 LYS HG2 H 0.99 . 1 147 . 14 LYS HG3 H 0.99 . 1 148 . 14 LYS HD2 H 1.11 . 1 149 . 14 LYS HD3 H 1.00 . 1 150 . 14 LYS HE2 H 2.59 . 1 151 . 14 LYS HE3 H 2.55 . 1 152 . 14 LYS C C 178.0 . 1 153 . 14 LYS CA C 57.2 . 1 154 . 14 LYS CB C 31.3 . 1 155 . 14 LYS CG C 25.4 . 1 156 . 14 LYS CD C 28.5 . 1 157 . 14 LYS CE C 41.2 . 1 158 . 14 LYS N N 115.0 . 1 159 . 15 ILE H H 7.63 . 1 160 . 15 ILE HA H 4.92 . 1 161 . 15 ILE HB H 2.29 . 1 162 . 15 ILE HG12 H 2.02 . 1 163 . 15 ILE HG13 H 2.02 . 1 164 . 15 ILE HG2 H 1.10 . 1 165 . 15 ILE HD1 H 0.73 . 1 166 . 15 ILE C C 174.5 . 1 167 . 15 ILE CA C 61.5 . 1 168 . 15 ILE CB C 37.7 . 1 169 . 15 ILE CG1 C 24.6 . 1 170 . 15 ILE CG2 C 18.2 . 1 171 . 15 ILE CD1 C 14.4 . 1 172 . 15 ILE N N 110.3 . 1 173 . 16 ASN H H 7.09 . 1 174 . 16 ASN HA H 4.40 . 1 175 . 16 ASN HB2 H 2.76 . 1 176 . 16 ASN HB3 H 2.72 . 1 177 . 16 ASN HD21 H 7.78 . 1 178 . 16 ASN HD22 H 7.22 . 1 179 . 16 ASN C C 176.7 . 1 180 . 16 ASN CA C 54.6 . 1 181 . 16 ASN CB C 41.2 . 1 182 . 16 ASN CG C 175.5 . 1 183 . 16 ASN N N 119.5 . 1 184 . 16 ASN ND2 N 115.7 . 1 185 . 17 GLY H H 9.35 . 1 186 . 17 GLY HA2 H 4.40 . 1 187 . 17 GLY HA3 H 3.75 . 1 188 . 17 GLY C C 172.2 . 1 189 . 17 GLY CA C 44.3 . 1 190 . 17 GLY N N 111.9 . 1 191 . 18 GLU H H 8.34 . 1 192 . 18 GLU HA H 4.45 . 1 193 . 18 GLU HB2 H 1.83 . 1 194 . 18 GLU HB3 H 1.83 . 1 195 . 18 GLU HG2 H 2.23 . 1 196 . 18 GLU HG3 H 1.99 . 1 197 . 18 GLU C C 175.6 . 1 198 . 18 GLU CA C 56.6 . 1 199 . 18 GLU CB C 30.4 . 1 200 . 18 GLU CG C 36.4 . 1 201 . 18 GLU CD C 183.4 . 1 202 . 18 GLU N N 121.6 . 1 203 . 19 TRP H H 7.47 . 1 204 . 19 TRP HA H 4.79 . 1 205 . 19 TRP HB2 H 3.04 . 1 206 . 19 TRP HB3 H 2.02 . 1 207 . 19 TRP HD1 H 6.69 . 1 208 . 19 TRP HE1 H 10.16 . 1 209 . 19 TRP HE3 H 7.11 . 1 210 . 19 TRP HZ2 H 7.10 . 1 211 . 19 TRP HZ3 H 6.56 . 1 212 . 19 TRP HH2 H 6.50 . 1 213 . 19 TRP C C 172.8 . 1 214 . 19 TRP CA C 55.3 . 1 215 . 19 TRP CB C 37.0 . 1 216 . 19 TRP CD1 C 126.2 . 1 217 . 19 TRP CE3 C 118.7 . 1 218 . 19 TRP CZ2 C 113.1 . 1 219 . 19 TRP CZ3 C 120.8 . 1 220 . 19 TRP CH2 C 122.9 . 1 221 . 19 TRP N N 122.3 . 1 222 . 19 TRP NE1 N 129.2 . 1 223 . 20 HIS H H 8.96 . 1 224 . 20 HIS HA H 5.15 . 1 225 . 20 HIS HB2 H 3.00 . 1 226 . 20 HIS HB3 H 2.86 . 1 227 . 20 HIS HD2 H 6.61 . 1 228 . 20 HIS HE1 H 7.90 . 1 229 . 20 HIS C C 176.9 . 1 230 . 20 HIS CA C 54.6 . 1 231 . 20 HIS CB C 32.9 . 1 232 . 20 HIS CD2 C 120.0 . 1 233 . 20 HIS CE1 C 137.6 . 1 234 . 20 HIS N N 113.4 . 1 235 . 21 THR H H 10.39 . 1 236 . 21 THR HA H 4.31 . 1 237 . 21 THR HB H 4.50 . 1 238 . 21 THR HG2 H 1.02 . 1 239 . 21 THR C C 172.5 . 1 240 . 21 THR CA C 64.7 . 1 241 . 21 THR CB C 69.5 . 1 242 . 21 THR CG2 C 22.1 . 1 243 . 21 THR N N 122.3 . 1 244 . 22 ILE H H 8.98 . 1 245 . 22 ILE HA H 4.12 . 1 246 . 22 ILE HB H 1.62 . 1 247 . 22 ILE HG12 H 1.14 . 1 248 . 22 ILE HG13 H 1.14 . 1 249 . 22 ILE HG2 H 0.94 . 1 250 . 22 ILE HD1 H 0.65 . 1 251 . 22 ILE C C 174.3 . 1 252 . 22 ILE CA C 60.7 . 1 253 . 22 ILE CB C 37.0 . 1 254 . 22 ILE CG1 C 26.7 . 1 255 . 22 ILE CG2 C 18.0 . 1 256 . 22 ILE CD1 C 9.3 . 1 257 . 22 ILE N N 127.9 . 1 258 . 23 ILE H H 7.48 . 1 259 . 23 ILE HA H 4.87 . 1 260 . 23 ILE HB H 1.12 . 1 261 . 23 ILE HG12 H 1.43 . 1 262 . 23 ILE HG13 H 1.10 . 1 263 . 23 ILE HG2 H 0.86 . 1 264 . 23 ILE HD1 H 0.74 . 1 265 . 23 ILE C C 174.3 . 1 266 . 23 ILE CA C 59.3 . 1 267 . 23 ILE CB C 41.6 . 1 268 . 23 ILE CG1 C 27.7 . 1 269 . 23 ILE CG2 C 21.0 . 1 270 . 23 ILE CD1 C 13.1 . 1 271 . 23 ILE N N 115.0 . 1 272 . 24 LEU H H 8.29 . 1 273 . 24 LEU HA H 5.25 . 1 274 . 24 LEU HB2 H 1.54 . 1 275 . 24 LEU HB3 H 1.36 . 1 276 . 24 LEU HG H 1.40 . 1 277 . 24 LEU HD1 H 1.16 . 1 278 . 24 LEU HD2 H 0.95 . 1 279 . 24 LEU C C 173.9 . 1 280 . 24 LEU CA C 53.3 . 1 281 . 24 LEU CB C 46.9 . 1 282 . 24 LEU CG C 26.5 . 1 283 . 24 LEU CD1 C 23.1 . 1 284 . 24 LEU CD2 C 25.6 . 1 285 . 24 LEU N N 123.2 . 1 286 . 25 ALA H H 9.07 . 1 287 . 25 ALA HA H 5.39 . 1 288 . 25 ALA HB H 1.40 . 1 289 . 25 ALA C C 175.9 . 1 290 . 25 ALA CA C 50.3 . 1 291 . 25 ALA CB C 26.3 . 1 292 . 25 ALA N N 122.5 . 1 293 . 26 SER H H 7.32 . 1 294 . 26 SER HA H 5.29 . 1 295 . 26 SER HB2 H 3.93 . 1 296 . 26 SER HB3 H 3.04 . 1 297 . 26 SER C C 173.4 . 1 298 . 26 SER CA C 55.8 . 1 299 . 26 SER CB C 66.3 . 1 300 . 26 SER N N 112.6 . 1 301 . 27 ASP H H 8.73 . 1 302 . 27 ASP HA H 4.70 . 1 303 . 27 ASP HB2 H 3.10 . 1 304 . 27 ASP HB3 H 2.60 . 1 305 . 27 ASP C C 176.2 . 1 306 . 27 ASP CA C 54.6 . 1 307 . 27 ASP CB C 39.6 . 1 308 . 27 ASP CG C 179.1 . 1 309 . 27 ASP N N 123.0 . 1 310 . 28 LYS H H 8.24 . 1 311 . 28 LYS HA H 4.54 . 1 312 . 28 LYS HB2 H 1.36 . 1 313 . 28 LYS HB3 H 1.17 . 1 314 . 28 LYS HG2 H 1.40 . 1 315 . 28 LYS HG3 H 1.40 . 1 316 . 28 LYS HD2 H 1.68 . 1 317 . 28 LYS HD3 H 1.68 . 1 318 . 28 LYS HE2 H 2.97 . 1 319 . 28 LYS HE3 H 2.97 . 1 320 . 28 LYS C C 175.8 . 1 321 . 28 LYS CA C 55.2 . 1 322 . 28 LYS CB C 32.2 . 1 323 . 28 LYS CG C 25.1 . 1 324 . 28 LYS CD C 29.2 . 1 325 . 28 LYS CE C 42.0 . 1 326 . 28 LYS N N 122.7 . 1 327 . 29 ARG H H 8.59 . 1 328 . 29 ARG HA H 3.37 . 1 329 . 29 ARG HB2 H 1.68 . 1 330 . 29 ARG HB3 H 1.68 . 1 331 . 29 ARG HG2 H 1.86 . 1 332 . 29 ARG HG3 H 1.31 . 1 333 . 29 ARG HD2 H 3.28 . 1 334 . 29 ARG HD3 H 3.18 . 1 335 . 29 ARG HE H 7.56 . 1 336 . 29 ARG C C 177.0 . 1 337 . 29 ARG CA C 60.0 . 1 338 . 29 ARG CB C 30.4 . 1 339 . 29 ARG CG C 29.0 . 1 340 . 29 ARG CD C 43.0 . 1 341 . 29 ARG N N 127.2 . 1 342 . 29 ARG NE N 85.1 . 1 343 . 30 GLU H H 9.37 . 1 344 . 30 GLU HA H 4.03 . 1 345 . 30 GLU HB2 H 1.92 . 1 346 . 30 GLU HB3 H 1.92 . 1 347 . 30 GLU HG2 H 2.15 . 1 348 . 30 GLU HG3 H 2.01 . 1 349 . 30 GLU C C 178.3 . 1 350 . 30 GLU CA C 58.5 . 1 351 . 30 GLU CB C 27.9 . 1 352 . 30 GLU CG C 35.4 . 1 353 . 30 GLU CD C 183.4 . 1 354 . 30 GLU N N 115.2 . 1 355 . 31 LYS H H 7.47 . 1 356 . 31 LYS HA H 4.08 . 1 357 . 31 LYS HB2 H 1.55 . 1 358 . 31 LYS HB3 H 1.48 . 1 359 . 31 LYS HG2 H 0.72 . 1 360 . 31 LYS HG3 H -0.24 . 1 361 . 31 LYS HD2 H 1.54 . 1 362 . 31 LYS HD3 H 1.15 . 1 363 . 31 LYS HE2 H 2.48 . 1 364 . 31 LYS HE3 H 2.48 . 1 365 . 31 LYS C C 177.0 . 1 366 . 31 LYS CA C 56.5 . 1 367 . 31 LYS CB C 31.8 . 1 368 . 31 LYS CG C 23.6 . 1 369 . 31 LYS CD C 27.4 . 1 370 . 31 LYS CE C 41.8 . 1 371 . 31 LYS N N 116.4 . 1 372 . 32 ILE H H 7.50 . 1 373 . 32 ILE HA H 4.26 . 1 374 . 32 ILE HB H 2.00 . 1 375 . 32 ILE HG12 H 1.42 . 1 376 . 32 ILE HG13 H 0.86 . 1 377 . 32 ILE HG2 H 0.65 . 1 378 . 32 ILE HD1 H 0.71 . 1 379 . 32 ILE C C 175.1 . 1 380 . 32 ILE CA C 60.6 . 1 381 . 32 ILE CB C 38.6 . 1 382 . 32 ILE CG1 C 26.7 . 1 383 . 32 ILE CG2 C 19.3 . 1 384 . 32 ILE CD1 C 14.9 . 1 385 . 32 ILE N N 106.5 . 1 386 . 33 GLU H H 6.63 . 1 387 . 33 GLU HA H 4.08 . 1 388 . 33 GLU HB2 H 2.20 . 1 389 . 33 GLU HB3 H 1.83 . 1 390 . 33 GLU HG2 H 2.55 . 1 391 . 33 GLU HG3 H 2.18 . 1 392 . 33 GLU C C 175.3 . 1 393 . 33 GLU CA C 56.1 . 1 394 . 33 GLU CB C 30.6 . 1 395 . 33 GLU CG C 36.9 . 1 396 . 33 GLU CD C 182.8 . 1 397 . 33 GLU N N 121.3 . 1 398 . 34 ASP H H 8.40 . 1 399 . 34 ASP HA H 4.08 . 1 400 . 34 ASP HB2 H 2.53 . 1 401 . 34 ASP HB3 H 2.53 . 1 402 . 34 ASP C C 177.0 . 1 403 . 34 ASP CA C 57.4 . 1 404 . 34 ASP CB C 40.7 . 1 405 . 34 ASP CG C 179.3 . 1 406 . 34 ASP N N 118.3 . 1 407 . 35 ASN H H 8.87 . 1 408 . 35 ASN HA H 4.64 . 1 409 . 35 ASN HB2 H 2.95 . 1 410 . 35 ASN HB3 H 2.95 . 1 411 . 35 ASN HD21 H 7.47 . 1 412 . 35 ASN HD22 H 6.97 . 1 413 . 35 ASN C C 175.2 . 1 414 . 35 ASN CA C 53.8 . 1 415 . 35 ASN CB C 37.7 . 1 416 . 35 ASN CG C 177.8 . 1 417 . 35 ASN N N 116.9 . 1 418 . 35 ASN ND2 N 113.2 . 1 419 . 36 GLY H H 8.77 . 1 420 . 36 GLY HA2 H 4.08 . 1 421 . 36 GLY HA3 H 3.56 . 1 422 . 36 GLY C C 176.4 . 1 423 . 36 GLY CA C 44.9 . 1 424 . 36 GLY N N 110.1 . 1 425 . 37 ASN H H 9.27 . 1 426 . 37 ASN HA H 4.45 . 1 427 . 37 ASN HB2 H 2.67 . 1 428 . 37 ASN HB3 H 2.48 . 1 429 . 37 ASN HD21 H 7.37 . 1 430 . 37 ASN HD22 H 6.94 . 1 431 . 37 ASN C C 175.5 . 1 432 . 37 ASN CA C 54.0 . 1 433 . 37 ASN CB C 36.9 . 1 434 . 37 ASN CG C 175.7 . 1 435 . 37 ASN N N 121.3 . 1 436 . 37 ASN ND2 N 111.7 . 1 437 . 38 PHE H H 8.58 . 1 438 . 38 PHE HA H 4.31 . 1 439 . 38 PHE HB2 H 3.28 . 1 440 . 38 PHE HB3 H 2.43 . 1 441 . 38 PHE HD1 H 7.04 . 1 442 . 38 PHE HD2 H 7.04 . 1 443 . 38 PHE HE1 H 7.56 . 1 444 . 38 PHE HE2 H 7.56 . 1 445 . 38 PHE HZ H 7.60 . 1 446 . 38 PHE C C 174.3 . 1 447 . 38 PHE CA C 57.8 . 1 448 . 38 PHE CB C 37.0 . 1 449 . 38 PHE CD1 C 130.3 . 1 450 . 38 PHE CD2 C 130.3 . 1 451 . 38 PHE CE1 C 131.9 . 1 452 . 38 PHE CE2 C 131.9 . 1 453 . 38 PHE CZ C 132.0 . 1 454 . 38 PHE N N 115.5 . 1 455 . 39 ARG H H 7.12 . 1 456 . 39 ARG HA H 3.89 . 1 457 . 39 ARG HB2 H 1.92 . 1 458 . 39 ARG HB3 H 1.18 . 1 459 . 39 ARG HG2 H 1.68 . 1 460 . 39 ARG HG3 H 1.68 . 1 461 . 39 ARG HD2 H 3.29 . 1 462 . 39 ARG HD3 H 3.05 . 1 463 . 39 ARG HE H 7.50 . 1 464 . 39 ARG C C 172.6 . 1 465 . 39 ARG CA C 54.6 . 1 466 . 39 ARG CB C 27.7 . 1 467 . 39 ARG CG C 29.0 . 1 468 . 39 ARG CD C 43.5 . 1 469 . 39 ARG N N 124.2 . 1 470 . 39 ARG NE N 85.5 . 1 471 . 40 LEU H H 6.66 . 1 472 . 40 LEU HA H 4.22 . 1 473 . 40 LEU HB2 H 1.08 . 1 474 . 40 LEU HB3 H 0.56 . 1 475 . 40 LEU HG H 0.67 . 1 476 . 40 LEU HD1 H 0.03 . 1 477 . 40 LEU HD2 H -0.40 . 1 478 . 40 LEU C C 176.1 . 1 479 . 40 LEU CA C 52.7 . 1 480 . 40 LEU CB C 44.8 . 1 481 . 40 LEU CG C 25.3 . 1 482 . 40 LEU CD1 C 22.8 . 1 483 . 40 LEU CD2 C 23.6 . 1 484 . 40 LEU N N 124.4 . 1 485 . 41 PHE H H 8.64 . 1 486 . 41 PHE HA H 4.73 . 1 487 . 41 PHE HB2 H 3.19 . 1 488 . 41 PHE HB3 H 2.33 . 1 489 . 41 PHE HD1 H 7.17 . 1 490 . 41 PHE HD2 H 7.17 . 1 491 . 41 PHE HE1 H 7.27 . 1 492 . 41 PHE HE2 H 7.27 . 1 493 . 41 PHE HZ H 7.17 . 1 494 . 41 PHE C C 174.9 . 1 495 . 41 PHE CA C 56.6 . 1 496 . 41 PHE CB C 36.4 . 1 497 . 41 PHE CZ C 128.8 . 1 498 . 41 PHE N N 124.2 . 1 499 . 42 LEU H H 8.38 . 1 500 . 42 LEU HA H 3.84 . 1 501 . 42 LEU HB2 H 1.54 . 1 502 . 42 LEU HB3 H 1.03 . 1 503 . 42 LEU HG H 0.98 . 1 504 . 42 LEU HD1 H -0.17 . 1 505 . 42 LEU HD2 H -0.30 . 1 506 . 42 LEU C C 174.6 . 1 507 . 42 LEU CA C 55.9 . 1 508 . 42 LEU CB C 42.5 . 1 509 . 42 LEU CG C 26.4 . 1 510 . 42 LEU CD1 C 21.3 . 1 511 . 42 LEU CD2 C 24.9 . 1 512 . 42 LEU N N 129.6 . 1 513 . 43 GLU H H 8.98 . 1 514 . 43 GLU HA H 4.92 . 1 515 . 43 GLU HB2 H 1.98 . 1 516 . 43 GLU HB3 H 1.64 . 1 517 . 43 GLU HG2 H 2.38 . 1 518 . 43 GLU HG3 H 2.30 . 1 519 . 43 GLU C C 177.0 . 1 520 . 43 GLU CA C 55.7 . 1 521 . 43 GLU CB C 32.3 . 1 522 . 43 GLU CG C 35.1 . 1 523 . 43 GLU CD C 183.1 . 1 524 . 43 GLU N N 121.3 . 1 525 . 44 GLN H H 7.33 . 1 526 . 44 GLN HA H 5.15 . 1 527 . 44 GLN HB2 H 1.78 . 1 528 . 44 GLN HB3 H 1.73 . 1 529 . 44 GLN HG2 H 2.05 . 1 530 . 44 GLN HG3 H 2.05 . 1 531 . 44 GLN HE21 H 7.59 . 1 532 . 44 GLN HE22 H 6.70 . 1 533 . 44 GLN C C 173.6 . 1 534 . 44 GLN CA C 54.2 . 1 535 . 44 GLN CB C 33.5 . 1 536 . 44 GLN CG C 33.6 . 1 537 . 44 GLN CD C 179.3 . 1 538 . 44 GLN N N 115.0 . 1 539 . 44 GLN NE2 N 111.2 . 1 540 . 45 ILE H H 8.79 . 1 541 . 45 ILE HA H 4.56 . 1 542 . 45 ILE HB H 1.87 . 1 543 . 45 ILE HG12 H 1.39 . 1 544 . 45 ILE HG13 H 1.39 . 1 545 . 45 ILE HG2 H 0.52 . 1 546 . 45 ILE HD1 H 0.09 . 1 547 . 45 ILE C C 175.2 . 1 548 . 45 ILE CA C 60.6 . 1 549 . 45 ILE CB C 40.0 . 1 550 . 45 ILE CG1 C 27.1 . 1 551 . 45 ILE CG2 C 17.2 . 1 552 . 45 ILE CD1 C 11.6 . 1 553 . 45 ILE N N 120.9 . 1 554 . 46 HIS H H 9.36 . 1 555 . 46 HIS HA H 5.39 . 1 556 . 46 HIS HB2 H 3.09 . 1 557 . 46 HIS HB3 H 2.90 . 1 558 . 46 HIS HD2 H 6.80 . 1 559 . 46 HIS HE1 H 7.89 . 1 560 . 46 HIS C C 174.1 . 1 561 . 46 HIS CA C 53.1 . 1 562 . 46 HIS CB C 31.3 . 1 563 . 46 HIS CD2 C 118.5 . 1 564 . 46 HIS CE1 C 137.7 . 1 565 . 46 HIS N N 127.5 . 1 566 . 47 VAL H H 8.73 . 1 567 . 47 VAL HA H 3.89 . 1 568 . 47 VAL HB H 1.97 . 1 569 . 47 VAL HG1 H 0.87 . 1 570 . 47 VAL HG2 H 0.86 . 1 571 . 47 VAL C C 174.9 . 1 572 . 47 VAL CA C 63.4 . 1 573 . 47 VAL CB C 31.9 . 1 574 . 47 VAL CG1 C 22.1 . 1 575 . 47 VAL CG2 C 21.0 . 1 576 . 47 VAL N N 127.2 . 1 577 . 48 LEU H H 8.21 . 1 578 . 48 LEU HA H 4.73 . 1 579 . 48 LEU HB2 H 1.63 . 1 580 . 48 LEU HB3 H 1.63 . 1 581 . 48 LEU HG H 1.42 . 1 582 . 48 LEU HD1 H 0.77 . 1 583 . 48 LEU HD2 H 0.76 . 1 584 . 48 LEU C C 176.2 . 1 585 . 48 LEU CA C 53.1 . 1 586 . 48 LEU CB C 42.8 . 1 587 . 48 LEU CG C 27.2 . 1 588 . 48 LEU CD1 C 25.1 . 1 589 . 48 LEU CD2 C 23.1 . 1 590 . 48 LEU N N 130.0 . 1 591 . 49 GLU H H 8.31 . 1 592 . 49 GLU HA H 3.93 . 1 593 . 49 GLU HB2 H 2.09 . 1 594 . 49 GLU HB3 H 1.97 . 1 595 . 49 GLU HG2 H 2.32 . 1 596 . 49 GLU HG3 H 2.22 . 1 597 . 49 GLU C C 178.2 . 1 598 . 49 GLU CA C 60.0 . 1 599 . 49 GLU CB C 29.5 . 1 600 . 49 GLU CG C 36.1 . 1 601 . 49 GLU CD C 183.5 . 1 602 . 49 GLU N N 119.9 . 1 603 . 50 LYS H H 8.62 . 1 604 . 50 LYS HA H 4.59 . 1 605 . 50 LYS HB2 H 2.11 . 1 606 . 50 LYS HB3 H 1.78 . 1 607 . 50 LYS HG2 H 1.40 . 1 608 . 50 LYS HG3 H 1.40 . 1 609 . 50 LYS HD2 H 1.68 . 1 610 . 50 LYS HD3 H 1.68 . 1 611 . 50 LYS HE2 H 2.96 . 1 612 . 50 LYS HE3 H 2.96 . 1 613 . 50 LYS C C 175.2 . 1 614 . 50 LYS CA C 55.2 . 1 615 . 50 LYS CB C 33.4 . 1 616 . 50 LYS CG C 24.9 . 1 617 . 50 LYS CD C 29.2 . 1 618 . 50 LYS CE C 42.0 . 1 619 . 50 LYS N N 115.0 . 1 620 . 51 SER H H 7.33 . 1 621 . 51 SER HA H 5.50 . 1 622 . 51 SER HB2 H 4.04 . 1 623 . 51 SER HB3 H 3.57 . 1 624 . 51 SER C C 172.1 . 1 625 . 51 SER CA C 57.0 . 1 626 . 51 SER CB C 66.4 . 1 627 . 51 SER N N 112.6 . 1 628 . 52 LEU H H 9.12 . 1 629 . 52 LEU HA H 4.99 . 1 630 . 52 LEU HB2 H 1.44 . 1 631 . 52 LEU HB3 H 0.98 . 1 632 . 52 LEU HG H 1.16 . 1 633 . 52 LEU HD1 H 0.64 . 1 634 . 52 LEU HD2 H 0.03 . 1 635 . 52 LEU C C 175.4 . 1 636 . 52 LEU CA C 52.9 . 1 637 . 52 LEU CB C 45.0 . 1 638 . 52 LEU CG C 26.4 . 1 639 . 52 LEU CD1 C 24.1 . 1 640 . 52 LEU CD2 C 23.7 . 1 641 . 52 LEU N N 119.2 . 1 642 . 53 VAL H H 9.24 . 1 643 . 53 VAL HA H 4.59 . 1 644 . 53 VAL HB H 2.06 . 1 645 . 53 VAL HG1 H 0.94 . 1 646 . 53 VAL HG2 H 0.78 . 1 647 . 53 VAL C C 175.0 . 1 648 . 53 VAL CA C 61.9 . 1 649 . 53 VAL CB C 32.3 . 1 650 . 53 VAL CG1 C 20.7 . 1 651 . 53 VAL CG2 C 20.3 . 1 652 . 53 VAL N N 123.2 . 1 653 . 55 LYS HB3 H 1.54 . 1 654 . 55 LYS HG2 H 1.28 . 1 655 . 55 LYS HG3 H 1.15 . 1 656 . 55 LYS HD2 H 1.45 . 1 657 . 55 LYS HD3 H 1.45 . 1 658 . 55 LYS HE2 H 2.77 . 1 659 . 55 LYS HE3 H 2.73 . 1 660 . 55 LYS C C 174.1 . 1 661 . 55 LYS CA C 54.8 . 1 662 . 55 LYS CB C 34.1 . 1 663 . 55 LYS CG C 24.6 . 1 664 . 55 LYS CD C 29.0 . 1 665 . 55 LYS CE C 41.7 . 1 666 . 55 LYS N N 122.8 . 1 667 . 56 PHE H H 9.16 . 1 668 . 56 PHE HA H 5.58 . 1 669 . 56 PHE HB2 H 2.67 . 1 670 . 56 PHE HB3 H 2.58 . 1 671 . 56 PHE HD1 H 6.61 . 1 672 . 56 PHE HD2 H 6.61 . 1 673 . 56 PHE HE1 H 6.63 . 9 674 . 56 PHE HE2 H 6.63 . 9 675 . 56 PHE HZ H 6.91 . 1 676 . 56 PHE C C 176.7 . 1 677 . 56 PHE CA C 55.4 . 1 678 . 56 PHE CB C 44.1 . 1 679 . 56 PHE CD1 C 131.7 . 9 680 . 56 PHE CD2 C 131.7 . 9 681 . 56 PHE CE1 C 131.7 . 9 682 . 56 PHE CE2 C 131.7 . 9 683 . 56 PHE CZ C 131.3 . 1 684 . 56 PHE N N 122.8 . 1 685 . 57 HIS H H 9.02 . 1 686 . 57 HIS HA H 5.76 . 1 687 . 57 HIS HB2 H 3.28 . 1 688 . 57 HIS HB3 H 3.18 . 1 689 . 57 HIS HD2 H 6.75 . 1 690 . 57 HIS HE1 H 8.30 . 9 691 . 57 HIS C C 174.1 . 1 692 . 57 HIS CA C 56.3 . 1 693 . 57 HIS CB C 32.7 . 1 694 . 57 HIS CD2 C 119.0 . 1 695 . 57 HIS CE1 C 136.2 . 9 696 . 57 HIS N N 114.3 . 1 697 . 58 THR H H 9.05 . 1 698 . 58 THR HA H 4.83 . 1 699 . 58 THR HB H 4.12 . 1 700 . 58 THR HG2 H 0.95 . 1 701 . 58 THR C C 172.5 . 1 702 . 58 THR CA C 59.6 . 1 703 . 58 THR CB C 70.6 . 1 704 . 58 THR CG2 C 20.5 . 1 705 . 58 THR N N 113.1 . 1 706 . 59 VAL H H 9.05 . 1 707 . 59 VAL HA H 4.83 . 1 708 . 59 VAL HB H 2.01 . 1 709 . 59 VAL HG1 H 0.92 . 1 710 . 59 VAL HG2 H 0.82 . 1 711 . 59 VAL C C 175.2 . 1 712 . 59 VAL CA C 61.1 . 1 713 . 59 VAL CB C 33.6 . 1 714 . 59 VAL CG1 C 22.1 . 1 715 . 59 VAL CG2 C 21.0 . 1 716 . 59 VAL N N 122.8 . 1 717 . 60 ARG H H 8.41 . 1 718 . 60 ARG HA H 4.59 . 1 719 . 60 ARG HB2 H 1.75 . 1 720 . 60 ARG HB3 H 1.71 . 1 721 . 60 ARG HG2 H 1.51 . 1 722 . 60 ARG HG3 H 1.51 . 1 723 . 60 ARG HD2 H 3.16 . 1 724 . 60 ARG HD3 H 3.16 . 1 725 . 60 ARG HE H 7.15 . 1 726 . 60 ARG C C 175.8 . 1 727 . 60 ARG CA C 54.8 . 1 728 . 60 ARG CB C 31.7 . 1 729 . 60 ARG CG C 26.7 . 1 730 . 60 ARG CD C 43.0 . 1 731 . 60 ARG N N 127.9 . 1 732 . 60 ARG NE N 85.3 . 1 733 . 61 ASP H H 9.41 . 1 734 . 61 ASP HA H 4.22 . 1 735 . 61 ASP HB2 H 2.81 . 1 736 . 61 ASP HB3 H 2.72 . 1 737 . 61 ASP C C 174.9 . 1 738 . 61 ASP CA C 55.9 . 1 739 . 61 ASP CB C 39.1 . 1 740 . 61 ASP CG C 180.9 . 1 741 . 61 ASP N N 127.5 . 1 742 . 62 GLU H H 8.38 . 1 743 . 62 GLU HA H 3.75 . 1 744 . 62 GLU HB2 H 2.20 . 1 745 . 62 GLU HB3 H 2.20 . 1 746 . 62 GLU HG2 H 2.21 . 1 747 . 62 GLU HG3 H 2.11 . 1 748 . 62 GLU C C 175.1 . 1 749 . 62 GLU CA C 57.4 . 1 750 . 62 GLU CB C 28.1 . 1 751 . 62 GLU CG C 36.4 . 1 752 . 62 GLU CD C 184.3 . 9 753 . 62 GLU N N 110.8 . 1 754 . 63 GLU H H 8.00 . 1 755 . 63 GLU HA H 4.59 . 1 756 . 63 GLU HB2 H 2.03 . 1 757 . 63 GLU HB3 H 1.96 . 1 758 . 63 GLU HG2 H 2.28 . 1 759 . 63 GLU HG3 H 2.17 . 1 760 . 63 GLU C C 176.0 . 1 761 . 63 GLU CA C 54.9 . 1 762 . 63 GLU CB C 31.8 . 1 763 . 63 GLU CG C 35.9 . 1 764 . 63 GLU CD C 183.9 . 1 765 . 63 GLU N N 120.4 . 1 766 . 64 CYS H H 8.93 . 1 767 . 64 CYS HA H 5.35 . 1 768 . 64 CYS HB2 H 3.20 . 1 769 . 64 CYS HB3 H 2.80 . 1 770 . 64 CYS C C 174.5 . 1 771 . 64 CYS CA C 56.1 . 1 772 . 64 CYS CB C 45.0 . 1 773 . 64 CYS N N 124.4 . 1 774 . 65 SER H H 8.90 . 1 775 . 65 SER HA H 4.78 . 1 776 . 65 SER HB2 H 3.79 . 1 777 . 65 SER HB3 H 3.65 . 1 778 . 65 SER C C 172.9 . 1 779 . 65 SER CA C 57.4 . 1 780 . 65 SER CB C 64.9 . 1 781 . 65 SER N N 118.5 . 1 782 . 66 GLU H H 8.67 . 1 783 . 66 GLU HA H 4.73 . 1 784 . 66 GLU HB2 H 1.97 . 1 785 . 66 GLU HB3 H 1.97 . 1 786 . 66 GLU HG2 H 2.19 . 1 787 . 66 GLU HG3 H 2.10 . 1 788 . 66 GLU C C 175.6 . 1 789 . 66 GLU CA C 55.9 . 1 790 . 66 GLU CB C 31.8 . 1 791 . 66 GLU CG C 36.4 . 1 792 . 66 GLU CD C 183.4 . 1 793 . 66 GLU N N 124.2 . 1 794 . 67 LEU H H 8.60 . 1 795 . 67 LEU HA H 4.59 . 1 796 . 67 LEU HB2 H 1.40 . 1 797 . 67 LEU HB3 H 1.40 . 1 798 . 67 LEU HG H 1.28 . 1 799 . 67 LEU HD1 H 0.67 . 1 800 . 67 LEU HD2 H 0.46 . 1 801 . 67 LEU C C 174.1 . 1 802 . 67 LEU CA C 55.0 . 1 803 . 67 LEU CB C 45.3 . 1 804 . 67 LEU CG C 26.9 . 1 805 . 67 LEU CD1 C 24.6 . 1 806 . 67 LEU CD2 C 25.6 . 1 807 . 67 LEU N N 125.3 . 1 808 . 68 SER H H 8.55 . 1 809 . 68 SER HA H 5.60 . 1 810 . 68 SER HB2 H 3.60 . 1 811 . 68 SER HB3 H 3.60 . 1 812 . 68 SER C C 173.4 . 1 813 . 68 SER CA C 56.5 . 1 814 . 68 SER CB C 65.1 . 1 815 . 68 SER N N 119.2 . 1 816 . 69 MET H H 9.12 . 1 817 . 69 MET HA H 4.73 . 1 818 . 69 MET HB2 H 1.92 . 1 819 . 69 MET HB3 H 1.78 . 1 820 . 69 MET HG2 H 2.40 . 1 821 . 69 MET HG3 H 2.02 . 1 822 . 69 MET HE H 2.07 . 1 823 . 69 MET C C 173.4 . 1 824 . 69 MET CA C 54.4 . 1 825 . 69 MET CB C 36.8 . 1 826 . 69 MET CG C 32.0 . 1 827 . 69 MET CE C 16.3 . 1 828 . 69 MET N N 121.8 . 1 829 . 70 VAL H H 8.55 . 1 830 . 70 VAL HA H 4.59 . 1 831 . 70 VAL HB H 1.97 . 1 832 . 70 VAL HG1 H 0.94 . 1 833 . 70 VAL HG2 H 0.87 . 1 834 . 70 VAL C C 174.1 . 1 835 . 70 VAL CA C 61.5 . 1 836 . 70 VAL CB C 32.7 . 1 837 . 70 VAL CG1 C 21.3 . 1 838 . 70 VAL CG2 C 21.3 . 1 839 . 70 VAL N N 122.5 . 1 840 . 71 ALA H H 9.45 . 1 841 . 71 ALA HA H 5.34 . 1 842 . 71 ALA HB H 1.12 . 1 843 . 71 ALA C C 176.2 . 1 844 . 71 ALA CA C 48.8 . 1 845 . 71 ALA CB C 21.0 . 1 846 . 71 ALA N N 131.2 . 1 847 . 72 ASP H H 8.93 . 1 848 . 72 ASP HA H 5.11 . 1 849 . 72 ASP HB2 H 2.72 . 1 850 . 72 ASP HB3 H 2.48 . 1 851 . 72 ASP C C 176.2 . 1 852 . 72 ASP CA C 53.8 . 1 853 . 72 ASP CB C 43.7 . 1 854 . 72 ASP CG C 179.5 . 1 855 . 72 ASP N N 123.7 . 1 856 . 73 LYS H H 8.22 . 1 857 . 73 LYS HA H 3.93 . 1 858 . 73 LYS HB2 H 1.87 . 1 859 . 73 LYS HB3 H 1.59 . 1 860 . 73 LYS HG2 H 1.36 . 1 861 . 73 LYS HG3 H 1.32 . 1 862 . 73 LYS HD2 H 1.68 . 1 863 . 73 LYS HD3 H 1.68 . 1 864 . 73 LYS HE2 H 2.97 . 1 865 . 73 LYS HE3 H 2.97 . 1 866 . 73 LYS C C 177.6 . 1 867 . 73 LYS CA C 57.2 . 1 868 . 73 LYS CB C 32.9 . 1 869 . 73 LYS CG C 24.9 . 1 870 . 73 LYS CD C 29.2 . 1 871 . 73 LYS CE C 41.7 . 1 872 . 73 LYS N N 121.3 . 1 873 . 74 THR H H 7.88 . 1 874 . 74 THR HA H 4.71 . 1 875 . 74 THR HB H 4.53 . 1 876 . 74 THR HG2 H 1.12 . 1 877 . 74 THR C C 174.4 . 1 878 . 74 THR CA C 60.0 . 1 879 . 74 THR CB C 69.3 . 1 880 . 74 THR CG2 C 21.6 . 1 881 . 74 THR N N 115.5 . 1 882 . 75 GLU H H 8.66 . 1 883 . 75 GLU HA H 4.17 . 1 884 . 75 GLU HB2 H 2.10 . 1 885 . 75 GLU HB3 H 1.90 . 1 886 . 75 GLU HG2 H 2.29 . 1 887 . 75 GLU HG3 H 2.20 . 1 888 . 75 GLU C C 176.5 . 1 889 . 75 GLU CA C 57.1 . 1 890 . 75 GLU CB C 29.0 . 1 891 . 75 GLU CG C 36.1 . 1 892 . 75 GLU CD C 183.9 . 1 893 . 75 GLU N N 117.1 . 1 894 . 76 LYS H H 7.97 . 1 895 . 76 LYS HA H 4.22 . 1 896 . 76 LYS HB2 H 1.50 . 1 897 . 76 LYS HB3 H 1.40 . 1 898 . 76 LYS HG2 H 1.28 . 1 899 . 76 LYS HG3 H 1.13 . 1 900 . 76 LYS HD2 H 1.56 . 1 901 . 76 LYS HD3 H 1.56 . 1 902 . 76 LYS HE2 H 2.85 . 1 903 . 76 LYS HE3 H 2.85 . 1 904 . 76 LYS C C 175.6 . 1 905 . 76 LYS CA C 55.0 . 1 906 . 76 LYS CB C 32.7 . 1 907 . 76 LYS CG C 24.9 . 1 908 . 76 LYS CD C 28.7 . 1 909 . 76 LYS CE C 41.7 . 1 910 . 76 LYS N N 122.3 . 1 911 . 77 ALA H H 8.29 . 1 912 . 77 ALA HA H 3.93 . 1 913 . 77 ALA HB H 1.26 . 1 914 . 77 ALA C C 178.3 . 1 915 . 77 ALA CA C 53.1 . 1 916 . 77 ALA CB C 17.8 . 1 917 . 77 ALA N N 127.9 . 1 918 . 78 GLY H H 8.37 . 1 919 . 78 GLY HA2 H 3.61 . 1 920 . 78 GLY HA3 H 3.37 . 1 921 . 78 GLY C C 172.3 . 1 922 . 78 GLY CA C 46.0 . 1 923 . 78 GLY N N 108.2 . 1 924 . 79 GLU H H 7.26 . 1 925 . 79 GLU HA H 4.87 . 1 926 . 79 GLU HB2 H 1.93 . 1 927 . 79 GLU HB3 H 1.21 . 1 928 . 79 GLU HG2 H 1.89 . 1 929 . 79 GLU HG3 H 1.89 . 1 930 . 79 GLU C C 174.1 . 1 931 . 79 GLU CA C 54.0 . 1 932 . 79 GLU CB C 32.4 . 1 933 . 79 GLU CG C 37.7 . 1 934 . 79 GLU CD C 182.5 . 1 935 . 79 GLU N N 120.2 . 1 936 . 80 TYR H H 8.64 . 1 937 . 80 TYR HA H 5.11 . 1 938 . 80 TYR HB2 H 2.26 . 1 939 . 80 TYR HB3 H 1.40 . 1 940 . 80 TYR HD1 H 6.51 . 1 941 . 80 TYR HD2 H 6.51 . 1 942 . 80 TYR HE1 H 6.37 . 1 943 . 80 TYR HE2 H 6.37 . 1 944 . 80 TYR C C 174.2 . 1 945 . 80 TYR CA C 55.9 . 1 946 . 80 TYR CB C 42.1 . 1 947 . 80 TYR CD1 C 132.2 . 1 948 . 80 TYR CD2 C 132.2 . 1 949 . 80 TYR CE1 C 116.6 . 1 950 . 80 TYR CE2 C 116.6 . 1 951 . 80 TYR N N 125.8 . 1 952 . 81 SER H H 9.55 . 1 953 . 81 SER HA H 5.58 . 1 954 . 81 SER HB2 H 3.89 . 1 955 . 81 SER HB3 H 3.51 . 1 956 . 81 SER C C 173.6 . 1 957 . 81 SER CA C 55.5 . 1 958 . 81 SER CB C 67.0 . 1 959 . 81 SER N N 115.2 . 1 960 . 82 VAL H H 8.66 . 1 961 . 82 VAL HA H 4.73 . 1 962 . 82 VAL HB H 2.11 . 1 963 . 82 VAL HG1 H 0.94 . 1 964 . 82 VAL HG2 H 0.90 . 1 965 . 82 VAL C C 174.9 . 1 966 . 82 VAL CA C 60.4 . 1 967 . 82 VAL CB C 35.7 . 1 968 . 82 VAL CG1 C 21.6 . 1 969 . 82 VAL CG2 C 19.5 . 1 970 . 82 VAL N N 118.3 . 1 971 . 83 THR H H 9.33 . 1 972 . 83 THR HA H 4.78 . 1 973 . 83 THR HB H 4.22 . 1 974 . 83 THR HG2 H 1.28 . 1 975 . 83 THR C C 174.2 . 1 976 . 83 THR CA C 63.0 . 1 977 . 83 THR CB C 68.3 . 1 978 . 83 THR CG2 C 21.3 . 1 979 . 83 THR N N 128.6 . 1 980 . 84 TYR H H 8.58 . 1 981 . 84 TYR HA H 4.17 . 1 982 . 84 TYR HB2 H 3.37 . 1 983 . 84 TYR HB3 H 2.20 . 1 984 . 84 TYR HD1 H 6.65 . 1 985 . 84 TYR HD2 H 6.65 . 1 986 . 84 TYR HE1 H 5.75 . 1 987 . 84 TYR HE2 H 5.75 . 1 988 . 84 TYR C C 172.5 . 1 989 . 84 TYR CA C 59.6 . 1 990 . 84 TYR CB C 38.4 . 1 991 . 84 TYR CD1 C 133.0 . 1 992 . 84 TYR CD2 C 133.0 . 1 993 . 84 TYR CE1 C 116.3 . 1 994 . 84 TYR CE2 C 116.3 . 1 995 . 84 TYR N N 128.6 . 1 996 . 85 ASP H H 8.55 . 1 997 . 85 ASP HA H 3.89 . 1 998 . 85 ASP HB2 H 2.90 . 1 999 . 85 ASP HB3 H 1.17 . 1 1000 . 85 ASP C C 174.5 . 1 1001 . 85 ASP CA C 54.2 . 1 1002 . 85 ASP CB C 39.6 . 1 1003 . 85 ASP CG C 181.2 . 1 1004 . 85 ASP N N 130.0 . 1 1005 . 86 GLY H H 7.75 . 1 1006 . 86 GLY HA2 H 4.68 . 1 1007 . 86 GLY HA3 H 3.61 . 1 1008 . 86 GLY C C 172.3 . 1 1009 . 86 GLY CA C 42.3 . 1 1010 . 86 GLY N N 102.8 . 1 1011 . 87 PHE H H 8.76 . 1 1012 . 87 PHE HA H 4.89 . 1 1013 . 87 PHE HB2 H 3.04 . 1 1014 . 87 PHE HB3 H 3.04 . 1 1015 . 87 PHE HD1 H 7.26 . 1 1016 . 87 PHE HD2 H 7.26 . 1 1017 . 87 PHE HE1 H 7.29 . 1 1018 . 87 PHE HE2 H 7.29 . 1 1019 . 87 PHE HZ H 7.22 . 1 1020 . 87 PHE C C 174.5 . 1 1021 . 87 PHE CA C 57.2 . 1 1022 . 87 PHE CB C 41.2 . 1 1023 . 87 PHE CD1 C 131.4 . 1 1024 . 87 PHE CD2 C 131.4 . 1 1025 . 87 PHE CE1 C 131.0 . 1 1026 . 87 PHE CE2 C 131.0 . 1 1027 . 87 PHE CZ C 129.4 . 1 1028 . 87 PHE N N 120.6 . 1 1029 . 88 ASN H H 8.03 . 1 1030 . 88 ASN HA H 6.18 . 1 1031 . 88 ASN HB2 H 2.90 . 1 1032 . 88 ASN HB3 H 2.15 . 1 1033 . 88 ASN HD21 H 8.31 . 1 1034 . 88 ASN HD22 H 6.69 . 1 1035 . 88 ASN C C 174.9 . 1 1036 . 88 ASN CA C 51.7 . 1 1037 . 88 ASN CB C 42.5 . 1 1038 . 88 ASN CG C 174.5 . 1 1039 . 88 ASN N N 123.0 . 1 1040 . 88 ASN ND2 N 115.3 . 1 1041 . 89 THR H H 8.72 . 1 1042 . 89 THR HA H 5.24 . 1 1043 . 89 THR HB H 3.90 . 1 1044 . 89 THR HG2 H 1.03 . 1 1045 . 89 THR C C 173.7 . 1 1046 . 89 THR CA C 59.6 . 1 1047 . 89 THR CB C 70.6 . 1 1048 . 89 THR CG2 C 21.8 . 1 1049 . 89 THR N N 113.8 . 1 1050 . 90 PHE H H 9.39 . 1 1051 . 90 PHE HA H 5.90 . 1 1052 . 90 PHE HB2 H 2.95 . 1 1053 . 90 PHE HB3 H 2.81 . 1 1054 . 90 PHE HD1 H 6.73 . 1 1055 . 90 PHE HD2 H 6.73 . 1 1056 . 90 PHE HE1 H 6.61 . 1 1057 . 90 PHE HE2 H 6.61 . 1 1058 . 90 PHE HZ H 6.44 . 1 1059 . 90 PHE C C 173.0 . 1 1060 . 90 PHE CA C 56.1 . 1 1061 . 90 PHE CB C 42.9 . 1 1062 . 90 PHE CD1 C 131.0 . 1 1063 . 90 PHE CD2 C 131.0 . 1 1064 . 90 PHE CE1 C 129.3 . 1 1065 . 90 PHE CE2 C 129.3 . 1 1066 . 90 PHE CZ C 127.9 . 1 1067 . 90 PHE N N 120.9 . 1 1068 . 91 THR H H 8.72 . 1 1069 . 91 THR HA H 4.78 . 1 1070 . 91 THR HB H 3.88 . 1 1071 . 91 THR HG2 H 1.09 . 1 1072 . 91 THR C C 173.2 . 1 1073 . 91 THR CA C 58.9 . 1 1074 . 91 THR CB C 73.0 . 1 1075 . 91 THR CG2 C 21.3 . 1 1076 . 91 THR N N 111.0 . 1 1077 . 92 ILE H H 8.14 . 1 1078 . 92 ILE HA H 5.23 . 1 1079 . 92 ILE HB H 1.61 . 1 1080 . 92 ILE HG12 H 1.41 . 1 1081 . 92 ILE HG13 H 1.41 . 1 1082 . 92 ILE HG2 H 0.93 . 1 1083 . 92 ILE HD1 H 0.85 . 1 1084 . 92 ILE C C 173.9 . 1 1085 . 92 ILE CA C 56.6 . 1 1086 . 92 ILE CB C 40.0 . 1 1087 . 92 ILE CG1 C 26.2 . 1 1088 . 92 ILE CG2 C 16.9 . 1 1089 . 92 ILE CD1 C 13.3 . 1 1090 . 92 ILE N N 119.2 . 1 1091 . 93 PRO HA H 4.45 . 1 1092 . 93 PRO HB2 H 2.53 . 1 1093 . 93 PRO HB3 H 1.78 . 1 1094 . 93 PRO HG2 H 1.90 . 1 1095 . 93 PRO HG3 H 1.63 . 1 1096 . 93 PRO HD2 H 4.16 . 1 1097 . 93 PRO HD3 H 3.62 . 1 1098 . 93 PRO C C 176.9 . 1 1099 . 93 PRO CA C 63.7 . 1 1100 . 93 PRO CB C 32.2 . 1 1101 . 93 PRO CG C 27.2 . 1 1102 . 93 PRO CD C 50.7 . 1 1103 . 94 LYS H H 6.94 . 1 1104 . 94 LYS HA H 4.78 . 1 1105 . 94 LYS HB2 H 1.99 . 1 1106 . 94 LYS HB3 H 1.92 . 1 1107 . 94 LYS HG2 H 1.55 . 1 1108 . 94 LYS HG3 H 1.44 . 1 1109 . 94 LYS HD2 H 1.91 . 1 1110 . 94 LYS HD3 H 1.70 . 1 1111 . 94 LYS HE2 H 3.03 . 1 1112 . 94 LYS HE3 H 2.94 . 1 1113 . 94 LYS C C 174.0 . 1 1114 . 94 LYS CA C 55.9 . 1 1115 . 94 LYS CB C 36.6 . 1 1116 . 94 LYS CG C 24.9 . 1 1117 . 94 LYS CD C 27.9 . 1 1118 . 94 LYS CE C 41.0 . 1 1119 . 94 LYS N N 111.5 . 1 1120 . 95 THR H H 8.77 . 1 1121 . 95 THR HA H 4.22 . 1 1122 . 95 THR HB H 4.15 . 1 1123 . 95 THR HG2 H 0.95 . 1 1124 . 95 THR C C 169.5 . 1 1125 . 95 THR CA C 59.4 . 1 1126 . 95 THR CB C 69.9 . 1 1127 . 95 THR CG2 C 18.0 . 1 1128 . 95 THR N N 119.0 . 1 1129 . 96 ASP H H 6.90 . 1 1130 . 96 ASP HA H 5.11 . 1 1131 . 96 ASP HB2 H 3.14 . 1 1132 . 96 ASP HB3 H 2.15 . 1 1133 . 96 ASP C C 179.3 . 1 1134 . 96 ASP CA C 52.0 . 1 1135 . 96 ASP CB C 42.3 . 1 1136 . 96 ASP CG C 180.7 . 1 1137 . 96 ASP N N 124.9 . 1 1138 . 97 TYR H H 8.73 . 1 1139 . 97 TYR HA H 3.79 . 1 1140 . 97 TYR HB2 H 3.61 . 1 1141 . 97 TYR HB3 H 2.90 . 1 1142 . 97 TYR HD1 H 6.81 . 1 1143 . 97 TYR HD2 H 6.81 . 1 1144 . 97 TYR HE1 H 6.42 . 1 1145 . 97 TYR HE2 H 6.42 . 1 1146 . 97 TYR C C 177.0 . 1 1147 . 97 TYR CA C 63.9 . 1 1148 . 97 TYR CB C 37.0 . 1 1149 . 97 TYR CD1 C 132.6 . 1 1150 . 97 TYR CD2 C 132.6 . 1 1151 . 97 TYR CE1 C 117.4 . 1 1152 . 97 TYR CE2 C 117.4 . 1 1153 . 97 TYR N N 115.9 . 1 1154 . 98 ASP H H 9.29 . 1 1155 . 98 ASP HA H 4.54 . 1 1156 . 98 ASP HB2 H 2.76 . 1 1157 . 98 ASP HB3 H 2.39 . 1 1158 . 98 ASP C C 175.8 . 1 1159 . 98 ASP CA C 54.8 . 1 1160 . 98 ASP CB C 42.5 . 1 1161 . 98 ASP CG C 179.2 . 1 1162 . 98 ASP N N 119.9 . 1 1163 . 99 ASN H H 9.03 . 1 1164 . 99 ASN HA H 5.15 . 1 1165 . 99 ASN HB2 H 3.60 . 1 1166 . 99 ASN HB3 H 2.96 . 1 1167 . 99 ASN HD21 H 8.60 . 1 1168 . 99 ASN HD22 H 7.05 . 1 1169 . 99 ASN C C 174.2 . 1 1170 . 99 ASN CA C 56.1 . 1 1171 . 99 ASN CB C 41.8 . 1 1172 . 99 ASN CG C 176.9 . 1 1173 . 99 ASN N N 116.9 . 1 1174 . 99 ASN ND2 N 116.9 . 1 1175 . 100 PHE H H 9.78 . 1 1176 . 100 PHE HA H 6.56 . 1 1177 . 100 PHE HB2 H 3.14 . 1 1178 . 100 PHE HB3 H 2.90 . 1 1179 . 100 PHE HD1 H 7.07 . 1 1180 . 100 PHE HD2 H 7.07 . 1 1181 . 100 PHE HE1 H 7.15 . 1 1182 . 100 PHE HE2 H 7.15 . 1 1183 . 100 PHE HZ H 7.20 . 1 1184 . 100 PHE C C 173.5 . 1 1185 . 100 PHE CA C 55.8 . 1 1186 . 100 PHE CB C 45.3 . 1 1187 . 100 PHE CD1 C 132.2 . 1 1188 . 100 PHE CD2 C 132.2 . 1 1189 . 100 PHE CE1 C 130.5 . 1 1190 . 100 PHE CE2 C 130.5 . 1 1191 . 100 PHE CZ C 128.8 . 1 1192 . 100 PHE N N 117.6 . 1 1193 . 101 LEU H H 9.32 . 1 1194 . 101 LEU HA H 4.17 . 1 1195 . 101 LEU HB2 H 0.93 . 1 1196 . 101 LEU HB3 H 0.61 . 1 1197 . 101 LEU HG H 1.16 . 1 1198 . 101 LEU HD1 H 0.23 . 1 1199 . 101 LEU HD2 H 0.07 . 1 1200 . 101 LEU C C 173.6 . 1 1201 . 101 LEU CA C 56.5 . 1 1202 . 101 LEU CB C 44.8 . 1 1203 . 101 LEU CG C 26.6 . 1 1204 . 101 LEU CD1 C 26.2 . 1 1205 . 101 LEU CD2 C 24.9 . 1 1206 . 101 LEU N N 126.5 . 1 1207 . 102 MET H H 9.10 . 1 1208 . 102 MET HA H 5.86 . 1 1209 . 102 MET HB2 H 2.29 . 1 1210 . 102 MET HB3 H 1.82 . 1 1211 . 102 MET HG2 H 2.80 . 1 1212 . 102 MET HG3 H 2.80 . 1 1213 . 102 MET HE H 1.70 . 1 1214 . 102 MET C C 173.3 . 1 1215 . 102 MET CA C 54.4 . 1 1216 . 102 MET CB C 33.4 . 1 1217 . 102 MET CG C 33.6 . 1 1218 . 102 MET CE C 17.1 . 1 1219 . 102 MET N N 125.6 . 1 1220 . 103 ALA H H 9.33 . 1 1221 . 103 ALA HA H 5.34 . 1 1222 . 103 ALA HB H 1.22 . 1 1223 . 103 ALA C C 175.3 . 1 1224 . 103 ALA CA C 49.9 . 1 1225 . 103 ALA CB C 22.4 . 1 1226 . 103 ALA N N 123.0 . 1 1227 . 104 HIS H H 8.58 . 1 1228 . 104 HIS HA H 5.39 . 1 1229 . 104 HIS HB2 H 3.00 . 1 1230 . 104 HIS HB3 H 2.43 . 1 1231 . 104 HIS HD2 H 6.73 . 1 1232 . 104 HIS HE1 H 7.52 . 1 1233 . 104 HIS C C 172.0 . 1 1234 . 104 HIS CA C 54.2 . 1 1235 . 104 HIS CB C 34.3 . 1 1236 . 104 HIS CD2 C 115.4 . 1 1237 . 104 HIS CE1 C 137.3 . 1 1238 . 104 HIS N N 121.6 . 1 1239 . 105 LEU H H 9.57 . 1 1240 . 105 LEU HA H 5.39 . 1 1241 . 105 LEU HB2 H 1.64 . 1 1242 . 105 LEU HB3 H 1.31 . 1 1243 . 105 LEU HG H 1.60 . 9 1244 . 105 LEU HD1 H 0.66 . 1 1245 . 105 LEU HD2 H 0.62 . 1 1246 . 105 LEU C C 173.7 . 1 1247 . 105 LEU CA C 53.3 . 1 1248 . 105 LEU CB C 46.2 . 1 1249 . 105 LEU CG C 27.2 . 9 1250 . 105 LEU CD1 C 25.3 . 1 1251 . 105 LEU CD2 C 24.4 . 1 1252 . 105 LEU N N 131.7 . 1 1253 . 106 ILE H H 8.96 . 1 1254 . 106 ILE HA H 4.45 . 1 1255 . 106 ILE HB H 1.59 . 1 1256 . 106 ILE HG12 H 1.18 . 1 1257 . 106 ILE HG13 H 0.85 . 1 1258 . 106 ILE HG2 H 0.72 . 1 1259 . 106 ILE HD1 H 0.63 . 1 1260 . 106 ILE C C 174.7 . 1 1261 . 106 ILE CA C 60.0 . 1 1262 . 106 ILE CB C 40.0 . 1 1263 . 106 ILE CG1 C 27.7 . 1 1264 . 106 ILE CG2 C 17.5 . 1 1265 . 106 ILE CD1 C 13.1 . 1 1266 . 106 ILE N N 125.1 . 1 1267 . 107 ASN H H 8.32 . 1 1268 . 107 ASN HA H 5.06 . 1 1269 . 107 ASN HB2 H 1.95 . 1 1270 . 107 ASN HB3 H 1.08 . 1 1271 . 107 ASN HD21 H 8.70 . 1 1272 . 107 ASN HD22 H 7.16 . 1 1273 . 107 ASN C C 173.2 . 1 1274 . 107 ASN CA C 52.4 . 1 1275 . 107 ASN CB C 43.2 . 1 1276 . 107 ASN CG C 176.3 . 1 1277 . 107 ASN N N 128.6 . 1 1278 . 107 ASN ND2 N 113.9 . 1 1279 . 108 GLU H H 8.88 . 1 1280 . 108 GLU HA H 5.01 . 1 1281 . 108 GLU HB2 H 2.06 . 1 1282 . 108 GLU HB3 H 1.87 . 1 1283 . 108 GLU HG2 H 2.15 . 1 1284 . 108 GLU HG3 H 2.03 . 1 1285 . 108 GLU C C 175.1 . 1 1286 . 108 GLU CA C 54.7 . 1 1287 . 108 GLU CB C 32.7 . 1 1288 . 108 GLU CG C 36.1 . 1 1289 . 108 GLU CD C 183.3 . 1 1290 . 108 GLU N N 124.4 . 1 1291 . 109 LYS H H 8.64 . 1 1292 . 109 LYS HA H 4.40 . 1 1293 . 109 LYS HB2 H 2.01 . 1 1294 . 109 LYS HB3 H 1.83 . 1 1295 . 109 LYS HG2 H 1.28 . 1 1296 . 109 LYS HG3 H 1.13 . 1 1297 . 109 LYS HD2 H 1.55 . 1 1298 . 109 LYS HD3 H 1.55 . 1 1299 . 109 LYS HE2 H 2.89 . 1 1300 . 109 LYS HE3 H 2.82 . 1 1301 . 109 LYS C C 175.9 . 1 1302 . 109 LYS CA C 56.6 . 1 1303 . 109 LYS CB C 34.5 . 1 1304 . 109 LYS CG C 25.1 . 1 1305 . 109 LYS CD C 29.0 . 1 1306 . 109 LYS CE C 42.0 . 1 1307 . 109 LYS N N 126.3 . 1 1308 . 110 ASP H H 9.44 . 1 1309 . 110 ASP HA H 4.26 . 1 1310 . 110 ASP HB2 H 2.90 . 1 1311 . 110 ASP HB3 H 2.62 . 1 1312 . 110 ASP C C 175.7 . 1 1313 . 110 ASP CA C 55.3 . 1 1314 . 110 ASP CB C 39.6 . 1 1315 . 110 ASP CG C 180.9 . 1 1316 . 110 ASP N N 128.9 . 1 1317 . 111 GLY H H 8.77 . 1 1318 . 111 GLY HA2 H 4.17 . 1 1319 . 111 GLY HA3 H 3.61 . 1 1320 . 111 GLY C C 173.9 . 1 1321 . 111 GLY CA C 45.3 . 1 1322 . 111 GLY N N 104.9 . 1 1323 . 112 GLU H H 7.95 . 1 1324 . 112 GLU HA H 4.73 . 1 1325 . 112 GLU HB2 H 2.06 . 1 1326 . 112 GLU HB3 H 2.06 . 1 1327 . 112 GLU HG2 H 2.32 . 1 1328 . 112 GLU HG3 H 2.20 . 1 1329 . 112 GLU C C 176.4 . 1 1330 . 112 GLU CA C 54.4 . 1 1331 . 112 GLU CB C 32.0 . 1 1332 . 112 GLU CG C 36.1 . 1 1333 . 112 GLU CD C 183.9 . 9 1334 . 112 GLU N N 120.6 . 1 1335 . 113 THR H H 8.66 . 1 1336 . 113 THR HA H 5.90 . 1 1337 . 113 THR HB H 3.97 . 1 1338 . 113 THR HG2 H 1.08 . 1 1339 . 113 THR C C 174.0 . 1 1340 . 113 THR CA C 59.3 . 1 1341 . 113 THR CB C 72.0 . 1 1342 . 113 THR CG2 C 20.3 . 1 1343 . 113 THR N N 117.6 . 1 1344 . 114 PHE H H 8.44 . 1 1345 . 114 PHE HA H 5.01 . 1 1346 . 114 PHE HB2 H 3.47 . 1 1347 . 114 PHE HB3 H 2.93 . 1 1348 . 114 PHE HD1 H 7.08 . 1 1349 . 114 PHE HD2 H 7.08 . 1 1350 . 114 PHE HE1 H 6.61 . 1 1351 . 114 PHE HE2 H 6.61 . 1 1352 . 114 PHE HZ H 5.33 . 1 1353 . 114 PHE C C 171.3 . 1 1354 . 114 PHE CA C 56.6 . 1 1355 . 114 PHE CB C 41.0 . 1 1356 . 114 PHE CD1 C 132.3 . 1 1357 . 114 PHE CD2 C 132.3 . 1 1358 . 114 PHE CE1 C 130.1 . 1 1359 . 114 PHE CE2 C 130.1 . 1 1360 . 114 PHE CZ C 128.1 . 1 1361 . 114 PHE N N 120.9 . 1 1362 . 115 GLN H H 10.00 . 1 1363 . 115 GLN HA H 5.25 . 1 1364 . 115 GLN HB2 H 1.95 . 1 1365 . 115 GLN HB3 H 1.86 . 1 1366 . 115 GLN HG2 H 2.47 . 1 1367 . 115 GLN HG3 H 2.24 . 1 1368 . 115 GLN HE21 H 7.48 . 1 1369 . 115 GLN HE22 H 7.26 . 1 1370 . 115 GLN C C 174.0 . 1 1371 . 115 GLN CA C 53.3 . 1 1372 . 115 GLN CB C 34.3 . 1 1373 . 115 GLN CG C 34.2 . 1 1374 . 115 GLN CD C 181.1 . 1 1375 . 115 GLN N N 118.5 . 1 1376 . 115 GLN NE2 N 111.0 . 1 1377 . 116 LEU H H 9.53 . 1 1378 . 116 LEU HA H 5.29 . 1 1379 . 116 LEU HB2 H 1.73 . 1 1380 . 116 LEU HB3 H 1.45 . 1 1381 . 116 LEU HG H 1.57 . 1 1382 . 116 LEU HD1 H 1.02 . 1 1383 . 116 LEU HD2 H 0.90 . 1 1384 . 116 LEU C C 174.7 . 1 1385 . 116 LEU CA C 53.1 . 1 1386 . 116 LEU CB C 46.6 . 1 1387 . 116 LEU CG C 26.9 . 1 1388 . 116 LEU CD1 C 26.9 . 1 1389 . 116 LEU CD2 C 25.4 . 1 1390 . 116 LEU N N 126.0 . 1 1391 . 117 MET H H 9.44 . 1 1392 . 117 MET HA H 5.62 . 1 1393 . 117 MET HB2 H 2.15 . 1 1394 . 117 MET HB3 H 1.67 . 1 1395 . 117 MET HG2 H 2.37 . 1 1396 . 117 MET HG3 H 2.28 . 1 1397 . 117 MET HE H 1.97 . 1 1398 . 117 MET C C 174.6 . 1 1399 . 117 MET CA C 53.5 . 1 1400 . 117 MET CB C 36.6 . 1 1401 . 117 MET CG C 33.8 . 1 1402 . 117 MET CE C 16.2 . 1 1403 . 117 MET N N 125.1 . 1 1404 . 118 GLY H H 8.94 . 1 1405 . 118 GLY HA2 H 5.06 . 1 1406 . 118 GLY HA3 H 3.50 . 1 1407 . 118 GLY C C 170.1 . 1 1408 . 118 GLY CA C 44.0 . 1 1409 . 118 GLY N N 109.1 . 1 1410 . 119 LEU H H 8.31 . 1 1411 . 119 LEU HA H 4.59 . 1 1412 . 119 LEU HB2 H 0.84 . 1 1413 . 119 LEU HB3 H -0.71 . 1 1414 . 119 LEU HG H 0.44 . 1 1415 . 119 LEU HD1 H 1.01 . 1 1416 . 119 LEU HD2 H 0.73 . 1 1417 . 119 LEU C C 173.2 . 1 1418 . 119 LEU CA C 52.2 . 1 1419 . 119 LEU CB C 42.1 . 1 1420 . 119 LEU CG C 26.2 . 1 1421 . 119 LEU CD1 C 26.2 . 1 1422 . 119 LEU CD2 C 23.6 . 1 1423 . 119 LEU N N 124.4 . 1 1424 . 120 TYR H H 9.39 . 1 1425 . 120 TYR HA H 5.62 . 1 1426 . 120 TYR HB2 H 3.00 . 1 1427 . 120 TYR HB3 H 2.43 . 1 1428 . 120 TYR HD1 H 6.77 . 1 1429 . 120 TYR HD2 H 6.77 . 1 1430 . 120 TYR HE1 H 6.59 . 1 1431 . 120 TYR HE2 H 6.59 . 1 1432 . 120 TYR C C 174.9 . 1 1433 . 120 TYR CA C 55.5 . 1 1434 . 120 TYR CB C 40.5 . 1 1435 . 120 TYR CD1 C 133.5 . 1 1436 . 120 TYR CD2 C 133.5 . 1 1437 . 120 TYR CE1 C 116.5 . 1 1438 . 120 TYR CE2 C 116.5 . 1 1439 . 120 TYR N N 126.8 . 1 1440 . 121 GLY H H 9.58 . 1 1441 . 121 GLY HA2 H 6.09 . 1 1442 . 121 GLY HA3 H 3.93 . 1 1443 . 121 GLY C C 174.7 . 1 1444 . 121 GLY CA C 43.6 . 1 1445 . 121 GLY N N 108.4 . 1 1446 . 122 ARG H H 8.36 . 1 1447 . 122 ARG HA H 3.84 . 1 1448 . 122 ARG HB2 H 1.90 . 1 1449 . 122 ARG HB3 H 1.75 . 1 1450 . 122 ARG HG2 H 1.18 . 1 1451 . 122 ARG HG3 H 0.90 . 1 1452 . 122 ARG HD2 H 2.33 . 1 1453 . 122 ARG HD3 H 1.45 . 1 1454 . 122 ARG HE H 6.00 . 1 1455 . 122 ARG C C 177.4 . 1 1456 . 122 ARG CA C 56.1 . 1 1457 . 122 ARG CB C 30.8 . 1 1458 . 122 ARG CG C 25.1 . 1 1459 . 122 ARG CD C 42.0 . 1 1460 . 122 ARG N N 122.3 . 1 1461 . 122 ARG NE N 89.3 . 1 1462 . 123 GLU H H 8.37 . 1 1463 . 123 GLU HA H 4.54 . 1 1464 . 123 GLU HB2 H 1.98 . 1 1465 . 123 GLU HB3 H 1.98 . 1 1466 . 123 GLU HG2 H 2.34 . 1 1467 . 123 GLU HG3 H 2.21 . 1 1468 . 123 GLU CG C 35.6 . 1 1469 . 123 GLU CD C 183.2 . 1 1470 . 123 GLU N N 118.8 . 1 1471 . 124 PRO HA H 3.65 . 1 1472 . 124 PRO HB2 H 1.83 . 1 1473 . 124 PRO HB3 H 1.75 . 1 1474 . 124 PRO HG2 H 1.75 . 1 1475 . 124 PRO HG3 H 1.18 . 1 1476 . 124 PRO HD2 H 3.50 . 1 1477 . 124 PRO HD3 H 3.15 . 1 1478 . 124 PRO C C 174.2 . 1 1479 . 124 PRO CA C 63.2 . 1 1480 . 124 PRO CB C 31.1 . 1 1481 . 124 PRO CG C 26.9 . 1 1482 . 124 PRO CD C 49.9 . 1 1483 . 125 ASP H H 7.17 . 1 1484 . 125 ASP HA H 4.83 . 1 1485 . 125 ASP HB2 H 2.53 . 1 1486 . 125 ASP HB3 H 2.34 . 1 1487 . 125 ASP C C 174.5 . 1 1488 . 125 ASP CA C 52.0 . 1 1489 . 125 ASP CB C 43.4 . 1 1490 . 125 ASP CG C 180.4 . 1 1491 . 125 ASP N N 114.1 . 1 1492 . 126 LEU H H 8.46 . 1 1493 . 126 LEU HA H 4.78 . 1 1494 . 126 LEU HB2 H 1.54 . 1 1495 . 126 LEU HB3 H 1.22 . 1 1496 . 126 LEU HG H 1.56 . 1 1497 . 126 LEU HD1 H 1.27 . 1 1498 . 126 LEU HD2 H 0.87 . 1 1499 . 126 LEU C C 175.5 . 1 1500 . 126 LEU CA C 52.4 . 1 1501 . 126 LEU CB C 48.9 . 1 1502 . 126 LEU CG C 26.2 . 1 1503 . 126 LEU CD1 C 24.1 . 1 1504 . 126 LEU CD2 C 27.4 . 1 1505 . 126 LEU N N 119.5 . 1 1506 . 127 SER H H 8.16 . 1 1507 . 127 SER HA H 4.26 . 1 1508 . 127 SER HB2 H 4.24 . 1 1509 . 127 SER HB3 H 3.97 . 1 1510 . 127 SER C C 175.5 . 1 1511 . 127 SER CA C 57.8 . 1 1512 . 127 SER CB C 64.0 . 1 1513 . 127 SER N N 114.5 . 1 1514 . 128 SER H H 8.93 . 1 1515 . 128 SER HA H 3.94 . 1 1516 . 128 SER HB2 H 3.94 . 1 1517 . 128 SER HB3 H 3.94 . 1 1518 . 128 SER C C 176.2 . 1 1519 . 128 SER CA C 61.5 . 1 1520 . 128 SER CB C 61.5 . 1 1521 . 128 SER N N 118.1 . 1 1522 . 129 ASP H H 8.50 . 1 1523 . 129 ASP HA H 4.31 . 1 1524 . 129 ASP HB2 H 2.59 . 1 1525 . 129 ASP HB3 H 2.52 . 1 1526 . 129 ASP C C 178.5 . 1 1527 . 129 ASP CA C 56.6 . 1 1528 . 129 ASP CB C 39.8 . 1 1529 . 129 ASP CG C 179.3 . 1 1530 . 129 ASP N N 120.8 . 1 1531 . 130 ILE H H 7.37 . 1 1532 . 130 ILE HA H 3.37 . 1 1533 . 130 ILE HB H 1.73 . 1 1534 . 130 ILE HG12 H 1.39 . 1 1535 . 130 ILE HG13 H 1.39 . 1 1536 . 130 ILE HG2 H 0.71 . 1 1537 . 130 ILE HD1 H 0.37 . 1 1538 . 130 ILE C C 177.8 . 1 1539 . 130 ILE CA C 63.5 . 1 1540 . 130 ILE CB C 36.6 . 1 1541 . 130 ILE CG1 C 28.5 . 1 1542 . 130 ILE CG2 C 18.2 . 1 1543 . 130 ILE CD1 C 12.9 . 1 1544 . 130 ILE N N 121.6 . 1 1545 . 131 LYS H H 7.55 . 1 1546 . 131 LYS HA H 3.61 . 1 1547 . 131 LYS HB2 H 1.92 . 1 1548 . 131 LYS HB3 H 1.73 . 1 1549 . 131 LYS HG2 H 1.54 . 1 1550 . 131 LYS HG3 H 0.70 . 1 1551 . 131 LYS HD2 H 1.63 . 1 1552 . 131 LYS HD3 H 1.63 . 1 1553 . 131 LYS HE2 H 3.08 . 1 1554 . 131 LYS HE3 H 2.45 . 1 1555 . 131 LYS C C 178.9 . 1 1556 . 131 LYS CA C 60.7 . 1 1557 . 131 LYS CB C 31.5 . 1 1558 . 131 LYS CG C 26.7 . 1 1559 . 131 LYS CD C 29.6 . 1 1560 . 131 LYS CE C 41.9 . 1 1561 . 131 LYS N N 119.5 . 1 1562 . 132 GLU H H 8.21 . 1 1563 . 132 GLU HA H 4.26 . 1 1564 . 132 GLU HB2 H 2.06 . 1 1565 . 132 GLU HB3 H 1.95 . 1 1566 . 132 GLU HG2 H 2.35 . 1 1567 . 132 GLU HG3 H 2.18 . 1 1568 . 132 GLU C C 178.4 . 1 1569 . 132 GLU CA C 58.1 . 1 1570 . 132 GLU CB C 28.5 . 1 1571 . 132 GLU CG C 34.8 . 1 1572 . 132 GLU CD C 183.3 . 1 1573 . 132 GLU N N 120.9 . 1 1574 . 133 ARG H H 7.77 . 1 1575 . 133 ARG HA H 3.93 . 1 1576 . 133 ARG HB2 H 1.73 . 1 1577 . 133 ARG HB3 H 1.73 . 1 1578 . 133 ARG HG2 H 1.84 . 1 1579 . 133 ARG HG3 H 1.53 . 1 1580 . 133 ARG HD2 H 3.10 . 1 1581 . 133 ARG HD3 H 2.86 . 1 1582 . 133 ARG HE H 7.46 . 1 1583 . 133 ARG C C 179.7 . 1 1584 . 133 ARG CA C 59.0 . 1 1585 . 133 ARG CB C 29.7 . 1 1586 . 133 ARG CG C 26.9 . 1 1587 . 133 ARG CD C 43.5 . 1 1588 . 133 ARG N N 120.9 . 1 1589 . 133 ARG NE N 85.5 . 1 1590 . 134 PHE H H 8.38 . 1 1591 . 134 PHE HA H 4.17 . 1 1592 . 134 PHE HB2 H 3.28 . 1 1593 . 134 PHE HB3 H 2.95 . 1 1594 . 134 PHE HD1 H 7.37 . 1 1595 . 134 PHE HD2 H 7.37 . 1 1596 . 134 PHE HE1 H 7.34 . 1 1597 . 134 PHE HE2 H 7.34 . 1 1598 . 134 PHE HZ H 7.20 . 1 1599 . 134 PHE C C 176.3 . 1 1600 . 134 PHE CA C 60.9 . 1 1601 . 134 PHE CB C 39.3 . 1 1602 . 134 PHE CD1 C 133.0 . 1 1603 . 134 PHE CD2 C 133.0 . 1 1604 . 134 PHE CE1 C 130.5 . 1 1605 . 134 PHE CE2 C 130.5 . 1 1606 . 134 PHE CZ C 128.8 . 1 1607 . 134 PHE N N 120.2 . 1 1608 . 135 ALA H H 8.23 . 1 1609 . 135 ALA HA H 3.70 . 1 1610 . 135 ALA HB H 1.40 . 1 1611 . 135 ALA C C 179.4 . 1 1612 . 135 ALA CA C 55.5 . 1 1613 . 135 ALA CB C 17.2 . 1 1614 . 135 ALA N N 124.2 . 1 1615 . 136 GLN H H 7.97 . 1 1616 . 136 GLN HA H 3.98 . 1 1617 . 136 GLN HB2 H 2.06 . 1 1618 . 136 GLN HB3 H 2.06 . 1 1619 . 136 GLN HG2 H 2.51 . 1 1620 . 136 GLN HG3 H 2.51 . 1 1621 . 136 GLN HE21 H 7.94 . 1 1622 . 136 GLN HE22 H 6.68 . 1 1623 . 136 GLN C C 178.5 . 1 1624 . 136 GLN CA C 58.5 . 1 1625 . 136 GLN CB C 27.6 . 1 1626 . 136 GLN CG C 33.6 . 1 1627 . 136 GLN CD C 180.1 . 1 1628 . 136 GLN N N 116.9 . 1 1629 . 136 GLN NE2 N 112.2 . 1 1630 . 137 LEU H H 7.52 . 1 1631 . 137 LEU HA H 4.08 . 1 1632 . 137 LEU HB2 H 1.83 . 1 1633 . 137 LEU HB3 H 1.50 . 1 1634 . 137 LEU HG H 1.43 . 1 1635 . 137 LEU HD1 H 0.92 . 1 1636 . 137 LEU HD2 H 0.82 . 1 1637 . 137 LEU C C 179.7 . 1 1638 . 137 LEU CA C 57.4 . 1 1639 . 137 LEU CB C 41.2 . 1 1640 . 137 LEU CG C 27.1 . 1 1641 . 137 LEU CD1 C 23.9 . 1 1642 . 137 LEU CD2 C 26.2 . 1 1643 . 137 LEU N N 122.8 . 1 1644 . 138 CYS H H 8.01 . 1 1645 . 138 CYS HA H 3.79 . 1 1646 . 138 CYS HB2 H 3.09 . 1 1647 . 138 CYS HB3 H 2.16 . 1 1648 . 138 CYS C C 177.7 . 1 1649 . 138 CYS CA C 64.1 . 1 1650 . 138 CYS CB C 25.5 . 1 1651 . 138 CYS N N 118.8 . 1 1652 . 139 GLU H H 8.02 . 1 1653 . 139 GLU HA H 3.93 . 1 1654 . 139 GLU HB2 H 2.10 . 1 1655 . 139 GLU HB3 H 1.97 . 1 1656 . 139 GLU HG2 H 2.33 . 1 1657 . 139 GLU HG3 H 2.21 . 1 1658 . 139 GLU C C 180.9 . 1 1659 . 139 GLU CA C 59.6 . 1 1660 . 139 GLU CB C 29.3 . 1 1661 . 139 GLU CG C 36.4 . 1 1662 . 139 GLU CD C 183.9 . 1 1663 . 139 GLU N N 121.6 . 1 1664 . 140 GLU H H 8.01 . 1 1665 . 140 GLU HA H 3.93 . 1 1666 . 140 GLU HB2 H 2.11 . 1 1667 . 140 GLU HB3 H 1.92 . 1 1668 . 140 GLU HG2 H 2.29 . 1 1669 . 140 GLU HG3 H 2.29 . 1 1670 . 140 GLU C C 177.5 . 1 1671 . 140 GLU CA C 58.5 . 1 1672 . 140 GLU CB C 28.6 . 1 1673 . 140 GLU CG C 36.1 . 1 1674 . 140 GLU N N 121.1 . 1 1675 . 141 HIS H H 7.45 . 1 1676 . 141 HIS HA H 4.40 . 1 1677 . 141 HIS HB2 H 3.65 . 1 1678 . 141 HIS HB3 H 2.62 . 1 1679 . 141 HIS HD2 H 6.95 . 1 1680 . 141 HIS HE1 H 7.85 . 9 1681 . 141 HIS C C 173.9 . 1 1682 . 141 HIS CA C 56.1 . 1 1683 . 141 HIS CB C 28.8 . 1 1684 . 141 HIS CD2 C 122.0 . 1 1685 . 141 HIS CE1 C 136.4 . 9 1686 . 141 HIS N N 115.5 . 1 1687 . 142 GLY H H 7.80 . 1 1688 . 142 GLY HA2 H 4.08 . 1 1689 . 142 GLY HA3 H 3.65 . 1 1690 . 142 GLY C C 174.0 . 1 1691 . 142 GLY CA C 45.5 . 1 1692 . 142 GLY N N 107.0 . 1 1693 . 143 ILE H H 7.88 . 1 1694 . 143 ILE HA H 3.89 . 1 1695 . 143 ILE HB H 1.26 . 1 1696 . 143 ILE HG12 H 1.39 . 1 1697 . 143 ILE HG13 H 1.39 . 1 1698 . 143 ILE HG2 H 0.60 . 1 1699 . 143 ILE HD1 H 0.56 . 1 1700 . 143 ILE C C 173.8 . 1 1701 . 143 ILE CA C 60.4 . 1 1702 . 143 ILE CB C 38.0 . 1 1703 . 143 ILE CG1 C 27.4 . 1 1704 . 143 ILE CG2 C 17.5 . 1 1705 . 143 ILE CD1 C 13.6 . 1 1706 . 143 ILE N N 123.0 . 1 1707 . 144 LEU H H 7.99 . 1 1708 . 144 LEU HA H 4.22 . 1 1709 . 144 LEU HB2 H 1.73 . 1 1710 . 144 LEU HB3 H 1.50 . 1 1711 . 144 LEU HG H 1.78 . 1 1712 . 144 LEU HD1 H 0.91 . 1 1713 . 144 LEU HD2 H 0.86 . 1 1714 . 144 LEU C C 178.9 . 1 1715 . 144 LEU CA C 54.2 . 1 1716 . 144 LEU CB C 42.3 . 1 1717 . 144 LEU CG C 26.7 . 1 1718 . 144 LEU CD1 C 25.1 . 1 1719 . 144 LEU CD2 C 22.1 . 1 1720 . 144 LEU N N 125.1 . 1 1721 . 145 ARG H H 8.64 . 1 1722 . 145 ARG HA H 3.84 . 1 1723 . 145 ARG HB2 H 1.73 . 1 1724 . 145 ARG HB3 H 1.54 . 1 1725 . 145 ARG HG2 H 1.77 . 1 1726 . 145 ARG HG3 H 1.77 . 1 1727 . 145 ARG HD2 H 3.17 . 1 1728 . 145 ARG HD3 H 3.09 . 1 1729 . 145 ARG HE H 7.31 . 1 1730 . 145 ARG C C 178.7 . 1 1731 . 145 ARG CA C 59.1 . 1 1732 . 145 ARG CB C 29.3 . 1 1733 . 145 ARG CG C 29.0 . 1 1734 . 145 ARG CD C 42.8 . 1 1735 . 145 ARG N N 119.9 . 1 1736 . 145 ARG NE N 85.1 . 1 1737 . 146 GLU H H 8.71 . 1 1738 . 146 GLU HA H 4.22 . 1 1739 . 146 GLU HB2 H 2.01 . 1 1740 . 146 GLU HB3 H 2.01 . 1 1741 . 146 GLU HG2 H 2.20 . 1 1742 . 146 GLU HG3 H 2.20 . 1 1743 . 146 GLU C C 176.1 . 1 1744 . 146 GLU CA C 57.8 . 1 1745 . 146 GLU CB C 28.6 . 1 1746 . 146 GLU CG C 35.9 . 1 1747 . 146 GLU CD C 183.8 . 1 1748 . 146 GLU N N 116.6 . 1 1749 . 147 ASN H H 8.19 . 1 1750 . 147 ASN HA H 4.64 . 1 1751 . 147 ASN HB2 H 3.93 . 1 1752 . 147 ASN HB3 H 2.76 . 1 1753 . 147 ASN HD21 H 7.24 . 1 1754 . 147 ASN HD22 H 6.86 . 1 1755 . 147 ASN C C 172.0 . 1 1756 . 147 ASN CA C 52.2 . 1 1757 . 147 ASN CB C 38.0 . 1 1758 . 147 ASN CG C 177.6 . 1 1759 . 147 ASN N N 120.9 . 1 1760 . 147 ASN ND2 N 109.3 . 1 1761 . 148 ILE H H 7.07 . 1 1762 . 148 ILE HA H 4.22 . 1 1763 . 148 ILE HB H 1.97 . 1 1764 . 148 ILE HG12 H 1.80 . 1 1765 . 148 ILE HG13 H 1.80 . 1 1766 . 148 ILE HG2 H 0.87 . 1 1767 . 148 ILE HD1 H 0.82 . 1 1768 . 148 ILE C C 175.8 . 1 1769 . 148 ILE CA C 61.7 . 1 1770 . 148 ILE CB C 38.2 . 1 1771 . 148 ILE CG1 C 26.4 . 1 1772 . 148 ILE CG2 C 18.0 . 1 1773 . 148 ILE CD1 C 14.1 . 1 1774 . 148 ILE N N 118.3 . 1 1775 . 149 ILE H H 9.36 . 1 1776 . 149 ILE HA H 4.26 . 1 1777 . 149 ILE HB H 1.73 . 1 1778 . 149 ILE HG12 H 1.47 . 1 1779 . 149 ILE HG13 H 0.91 . 1 1780 . 149 ILE HG2 H 0.78 . 1 1781 . 149 ILE HD1 H 0.67 . 1 1782 . 149 ILE C C 173.7 . 1 1783 . 149 ILE CA C 60.9 . 1 1784 . 149 ILE CB C 40.0 . 1 1785 . 149 ILE CG1 C 26.4 . 1 1786 . 149 ILE CG2 C 17.0 . 1 1787 . 149 ILE CD1 C 13.4 . 1 1788 . 149 ILE N N 128.6 . 1 1789 . 150 ASP H H 8.67 . 1 1790 . 150 ASP HA H 4.78 . 1 1791 . 150 ASP HB2 H 2.95 . 1 1792 . 150 ASP HB3 H 2.43 . 1 1793 . 150 ASP C C 176.7 . 1 1794 . 150 ASP CA C 54.0 . 1 1795 . 150 ASP CB C 40.2 . 1 1796 . 150 ASP CG C 179.3 . 1 1797 . 150 ASP N N 127.5 . 1 1798 . 151 LEU H H 8.93 . 1 1799 . 151 LEU HA H 4.59 . 1 1800 . 151 LEU HB2 H 1.92 . 1 1801 . 151 LEU HB3 H 1.12 . 1 1802 . 151 LEU HG H 1.62 . 1 1803 . 151 LEU HD1 H 0.85 . 1 1804 . 151 LEU HD2 H 0.66 . 1 1805 . 151 LEU C C 177.4 . 1 1806 . 151 LEU CA C 54.0 . 1 1807 . 151 LEU CB C 42.5 . 1 1808 . 151 LEU CG C 26.2 . 1 1809 . 151 LEU CD1 C 23.1 . 1 1810 . 151 LEU CD2 C 26.2 . 1 1811 . 151 LEU N N 130.3 . 1 1812 . 152 SER H H 9.00 . 1 1813 . 152 SER HA H 4.15 . 1 1814 . 152 SER HB2 H 4.00 . 1 1815 . 152 SER HB3 H 3.95 . 1 1816 . 152 SER C C 174.9 . 1 1817 . 152 SER CA C 61.5 . 1 1818 . 152 SER CB C 63.0 . 1 1819 . 152 SER N N 119.0 . 1 1820 . 153 ASN H H 8.41 . 1 1821 . 153 ASN HA H 4.83 . 1 1822 . 153 ASN HB2 H 2.81 . 1 1823 . 153 ASN HB3 H 2.72 . 1 1824 . 153 ASN HD21 H 7.46 . 1 1825 . 153 ASN HD22 H 6.77 . 1 1826 . 153 ASN C C 175.1 . 1 1827 . 153 ASN CA C 52.7 . 1 1828 . 153 ASN CB C 38.6 . 1 1829 . 153 ASN CG C 177.8 . 1 1830 . 153 ASN N N 117.6 . 1 1831 . 153 ASN ND2 N 112.9 . 1 1832 . 154 ALA H H 7.81 . 1 1833 . 154 ALA HA H 4.54 . 1 1834 . 154 ALA HB H 1.40 . 1 1835 . 154 ALA C C 176.7 . 1 1836 . 154 ALA CA C 51.2 . 1 1837 . 154 ALA CB C 20.1 . 1 1838 . 154 ALA N N 122.5 . 1 1839 . 155 ASN H H 8.03 . 1 1840 . 155 ASN HA H 4.22 . 1 1841 . 155 ASN HB2 H 3.00 . 1 1842 . 155 ASN HB3 H 3.00 . 1 1843 . 155 ASN HD21 H 7.78 . 1 1844 . 155 ASN HD22 H 7.14 . 1 1845 . 155 ASN C C 175.2 . 1 1846 . 155 ASN CA C 52.7 . 1 1847 . 155 ASN CB C 37.6 . 1 1848 . 155 ASN CG C 176.6 . 1 1849 . 155 ASN N N 117.1 . 1 1850 . 155 ASN ND2 N 110.6 . 1 1851 . 156 ARG H H 7.88 . 1 1852 . 156 ARG HA H 4.04 . 1 1853 . 156 ARG HB2 H 1.71 . 1 1854 . 156 ARG HB3 H 1.56 . 1 1855 . 156 ARG HG2 H 1.51 . 1 1856 . 156 ARG HG3 H 1.51 . 1 1857 . 156 ARG HD2 H 3.14 . 1 1858 . 156 ARG HD3 H 3.14 . 1 1859 . 156 ARG HE H 7.14 . 1 1860 . 156 ARG C C 175.8 . 1 1861 . 156 ARG CA C 54.6 . 1 1862 . 156 ARG CB C 31.3 . 1 1863 . 156 ARG CG C 26.4 . 1 1864 . 156 ARG CD C 43.3 . 1 1865 . 156 ARG N N 122.3 . 1 1866 . 156 ARG NE N 85.2 . 1 1867 . 157 CYS H H 8.27 . 1 1868 . 157 CYS HA H 4.28 . 1 1869 . 157 CYS HB2 H 2.76 . 1 1870 . 157 CYS HB3 H 2.61 . 1 1871 . 157 CYS C C 174.4 . 1 1872 . 157 CYS CA C 55.2 . 1 1873 . 157 CYS CB C 40.9 . 1 1874 . 157 CYS N N 117.6 . 1 1875 . 158 LEU H H 7.96 . 1 1876 . 158 LEU HA H 4.16 . 1 1877 . 158 LEU HB2 H 1.58 . 1 1878 . 158 LEU HB3 H 1.53 . 1 1879 . 158 LEU HG H 1.52 . 1 1880 . 158 LEU HD1 H 0.91 . 1 1881 . 158 LEU HD2 H 0.85 . 1 1882 . 158 LEU C C 177.1 . 1 1883 . 158 LEU CA C 55.3 . 1 1884 . 158 LEU CB C 41.9 . 1 1885 . 158 LEU CG C 26.7 . 1 1886 . 158 LEU CD1 C 24.6 . 1 1887 . 158 LEU CD2 C 23.3 . 1 1888 . 158 LEU N N 122.3 . 1 1889 . 159 GLN H H 8.31 . 1 1890 . 159 GLN HA H 4.25 . 1 1891 . 159 GLN HB2 H 2.00 . 1 1892 . 159 GLN HB3 H 1.90 . 1 1893 . 159 GLN HG2 H 2.30 . 1 1894 . 159 GLN HG3 H 2.30 . 1 1895 . 159 GLN HE21 H 7.48 . 1 1896 . 159 GLN HE22 H 6.80 . 1 1897 . 159 GLN C C 175.3 . 1 1898 . 159 GLN CA C 55.3 . 1 1899 . 159 GLN CB C 29.0 . 1 1900 . 159 GLN CG C 33.5 . 1 1901 . 159 GLN CD C 180.4 . 1 1902 . 159 GLN N N 120.9 . 1 1903 . 159 GLN NE2 N 112.4 . 1 1904 . 160 ALA H H 8.16 . 1 1905 . 160 ALA HA H 4.30 . 1 1906 . 160 ALA HB H 1.30 . 1 1907 . 160 ALA C C 177.1 . 1 1908 . 160 ALA CA C 52.0 . 1 1909 . 160 ALA CB C 19.0 . 1 1910 . 160 ALA N N 125.6 . 1 1911 . 161 ARG H H 8.14 . 1 1912 . 161 ARG HA H 4.31 . 1 1913 . 161 ARG HB2 H 1.88 . 1 1914 . 161 ARG HB3 H 1.70 . 1 1915 . 161 ARG HG2 H 1.64 . 1 1916 . 161 ARG HG3 H 1.59 . 1 1917 . 161 ARG HD2 H 3.23 . 1 1918 . 161 ARG HD3 H 3.19 . 1 1919 . 161 ARG HE H 7.25 . 1 1920 . 161 ARG C C 175.3 . 1 1921 . 161 ARG CA C 55.5 . 1 1922 . 161 ARG CB C 30.9 . 1 1923 . 161 ARG CG C 26.9 . 1 1924 . 161 ARG CD C 43.3 . 1 1925 . 161 ARG N N 120.9 . 1 1926 . 161 ARG NE N 85.0 . 1 1927 . 162 GLU H H 7.95 . 1 1928 . 162 GLU HA H 4.09 . 1 1929 . 162 GLU HB2 H 1.85 . 9 1930 . 162 GLU HB3 H 1.85 . 9 1931 . 162 GLU HG2 H 2.16 . 9 1932 . 162 GLU HG3 H 2.16 . 9 1933 . 162 GLU C C 180.8 . 1 1934 . 162 GLU CA C 57.6 . 1 1935 . 162 GLU CB C 27.4 . 9 1936 . 162 GLU CG C 36.1 . 9 1937 . 162 GLU CD C 184.5 . 9 1938 . 162 GLU N N 127.0 . 1 stop_ save_