data_4360 #Corrected using PDB structure: 2CM6B # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #121 C CB 26.03 31.44 # #After reference correction, the following residues still #have a CO chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 16 G C 180.47 171.35 # 51 K C 176.65 182.05 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 93 D N 111.34 125.97 #118 W N 118.20 129.80 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.03 -0.37 -0.54 0.36 0.24 0.08 # #bmr4360.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4360.str file): #HA CA CB CO N HN #N/A -0.46 -0.46 +0.36 +0.24 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.02 +/-0.12 +/-0.18 +/-0.15 +/-0.32 +/-0.06 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.915 0.963 0.991 0.696 0.842 0.685 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.142 0.713 0.991 0.867 1.855 0.363 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments for the C2B-domain of Rabphilin 3 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ubach Josep . . 2 Garcia Jesus . . 3 Nittler "M. Paige" . . 4 Sudhof Thomas . . 5 Rizo Josep . . stop_ _BMRB_accession_number 4360 _BMRB_flat_file_name bmr4360.str _Entry_type new _Submission_date 1999-06-18 _Accession_date 1999-06-21 _Entry_origination author _NMR_STAR_version 2.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 882 '13C chemical shifts' 561 '15N chemical shifts' 153 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Ubach, J., Garcia, J., Nittler, M.P., Sudhof, T., and Rizo, J., "Structure of the Janus-faced C2B Domain of Rabphilin," Nature Cell Biol. 1, 106-112 (1999). ; _Citation_title ; Structure of the Janus-faced C2B Domain of Rabphilin ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ubach Josep . . 2 Garcia Jesus . . 3 Nittler "M. Paige" . . 4 Sudhof Thomas . . 5 Rizo Josep . . stop_ _Journal_abbreviation "Nature Cell Biol." _Journal_name_full "Nature Cell Biology" _Journal_volume 1 _Page_first 106 _Page_last 112 _Year 1999 save_ ################################## # Molecular system description # ################################## save_system_rabphilin_3_C2B _Saveframe_category molecular_system _Mol_system_name system_rabphilin_3_C2B _Abbreviation_common system_rabphilin_3_C2B loop_ _Mol_system_component_name _Mol_label rabphilin_3_C2B $r3b stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 3RPB "A Chain A, The C2b-Domain Of Rabphilin: Structural Variations In A Janus-Faced Domain" . stop_ save_ ######################## # Monomeric polymers # ######################## save_r3b _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rabphilin_3_C2B _Name_variant . _Abbreviation_common rabphilin_3_C2B ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; RGKILVSLMYSTQQGGLIVG IIRCVHLAAMDANGYSDPFV KLWLKPDMGKKAKHKTQIKK KTLNPEFNEEFFYDIKHSDL AKKSLDISVWDYDIGKSNDY IGGCQLGISAKGERLKHWYE CLKNKDKKIERWHQLQNENH ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 GLY 3 LYS 4 ILE 5 LEU 6 VAL 7 SER 8 LEU 9 MET 10 TYR 11 SER 12 THR 13 GLN 14 GLN 15 GLY 16 GLY 17 LEU 18 ILE 19 VAL 20 GLY 21 ILE 22 ILE 23 ARG 24 CYS 25 VAL 26 HIS 27 LEU 28 ALA 29 ALA 30 MET 31 ASP 32 ALA 33 ASN 34 GLY 35 TYR 36 SER 37 ASP 38 PRO 39 PHE 40 VAL 41 LYS 42 LEU 43 TRP 44 LEU 45 LYS 46 PRO 47 ASP 48 MET 49 GLY 50 LYS 51 LYS 52 ALA 53 LYS 54 HIS 55 LYS 56 THR 57 GLN 58 ILE 59 LYS 60 LYS 61 LYS 62 THR 63 LEU 64 ASN 65 PRO 66 GLU 67 PHE 68 ASN 69 GLU 70 GLU 71 PHE 72 PHE 73 TYR 74 ASP 75 ILE 76 LYS 77 HIS 78 SER 79 ASP 80 LEU 81 ALA 82 LYS 83 LYS 84 SER 85 LEU 86 ASP 87 ILE 88 SER 89 VAL 90 TRP 91 ASP 92 TYR 93 ASP 94 ILE 95 GLY 96 LYS 97 SER 98 ASN 99 ASP 100 TYR 101 ILE 102 GLY 103 GLY 104 CYS 105 GLN 106 LEU 107 GLY 108 ILE 109 SER 110 ALA 111 LYS 112 GLY 113 GLU 114 ARG 115 LEU 116 LYS 117 HIS 118 TRP 119 TYR 120 GLU 121 CYS 122 LEU 123 LYS 124 ASN 125 LYS 126 ASP 127 LYS 128 LYS 129 ILE 130 GLU 131 ARG 132 TRP 133 HIS 134 GLN 135 LEU 136 GLN 137 ASN 138 GLU 139 ASN 140 HIS stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-04-29 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 3RPB "A Chain A, The C2b-Domain Of Rabphilin:Structural Variations In A Janus-Faced Domain" 100.00 140 100 100 2e-80 DBJ BAA06231.2 "rabphilin-3A [Mus musculus]" 20.56 681 100 100 2e-80 DBJ BAD07029.1 "rabphilin [Mus musculus]" 20.56 681 100 100 2e-80 DBJ BAA76829.2 "KIAA0985 protein [Homo sapiens]" 20.09 697 100 100 2e-80 DBJ BAA02780.1 "'rabphilin-3A' [Bos taurus]" 19.89 704 100 100 2e-80 GenBank AAH42585.1 "Rabphilin 3A [Mus musculus]" 20.56 681 100 100 2e-80 GenBank AAH50883.1 "Rph3a protein [Mus musculus]" 20.56 681 100 100 2e-80 GenBank AAA62662.1 rabphilin-3A 20.47 684 100 100 2e-80 GenBank AAH17259.1 "Rabphilin 3A homolog [Homo sapiens]" 20.29 690 100 100 2e-80 PIR JX0338 "rabphilin-3A - mouse" 20.56 681 100 100 2e-80 PIR I58166 "rabphilin-3A - rat" 20.47 684 100 100 2e-80 PIR A48097 "rabphilin-3A - bovine" 19.89 704 100 100 2e-80 REF NP_035416.1 "rabphilin 3A [Mus musculus]" 20.56 681 100 100 2e-80 REF NP_598202.1 "rabphilin 3A [Rattus norvegicus]" 20.47 684 100 100 2e-80 REF NP_055769.2 "rabphilin 3A homolog [Homo sapiens]" 20.29 690 100 100 2e-80 REF NP_776879.1 "likely ortholog of mouse rabphilin 3A[Bos taurus]" 19.89 704 100 100 2e-80 SWISS-PROT P47708 "RP3A_MOUSE Rabphilin-3A (Exophilin 1)" 20.56 681 100 100 2e-80 SWISS-PROT P47709 "RP3A_RAT Rabphilin-3A (Exophilin 1)" 20.47 684 100 100 2e-80 SWISS-PROT Q9Y2J0 "RP3A_HUMAN Rabphilin-3A (Exophilin 1)" 20.17 694 100 100 2e-80 SWISS-PROT Q06846 "RP3A_BOVIN Rabphilin-3A (Exophilin 1)" 19.89 704 100 100 2e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $r3b 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain $r3b 'recombinant technology' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $r3b 1.2 mM . . '[U-99% 15N]' stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $r3b 0.8 mM . . '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_three _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $r3b 1.0 mM . . '[U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name NMRview _Version 3.1 loop_ _Task peak-picking stop_ save_ save_software_two _Saveframe_category software _Name NMRpipe _Version . loop_ _Task 'data processing' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model '600 INOVA' _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment_one _Saveframe_category NMR_applied_experiment _Sample_label $sample_one _Details ; 2D 1H-1H DQF-COSY 2D 1H-1H NOESY 2D 1H-1H TOCSY 2D 1H-15N HSQC HNCO 1H-15N NOESY-HSQC 1H-15N TOCSY-HSQC HNCACB (H)CBCACO(CA)HA (H)C(CO)NH-TOCSY H(C)(CO)NH-TOCSY HCCH-TOCSY HNHA ; save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 0.1 n/a temperature 31 .5 C 'ionic strength' 0.17 . ? stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl carbons' ppm 0 external_to_the_sample direct cylindrical external_to_the_sample parallel_to_Bo . nitromethane N 15 nitrogen ppm -379.6 external_to_the_sample direct cylindrical external_to_the_sample parallel_to_Bo . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name rabphilin_3_C2B loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 ARG H H 8.58 0.02 1 2 1 ARG HA H 4.31 0.02 1 3 1 ARG C C 174.29 0.05 1 4 1 ARG CA C 55.07 0.3 1 5 1 ARG CB C 30.63 0.3 1 6 1 ARG CG C 27.12 0.3 1 7 1 ARG CD C 42.18 0.3 1 8 1 ARG N N 123.24 0.1 1 9 2 GLY H H 7.59 0.02 1 10 2 GLY HA2 H 3.83 0.02 2 11 2 GLY HA3 H 4.41 0.02 2 12 2 GLY C C 173.28 0.05 1 13 2 GLY CA C 44.56 0.3 1 14 2 GLY N N 105.18 0.1 1 15 3 LYS H H 8.35 0.02 1 16 3 LYS HA H 5.47 0.02 1 17 3 LYS HB2 H 1.59 0.02 2 18 3 LYS HB3 H 1.95 0.02 2 19 3 LYS HG2 H 1.33 0.02 2 20 3 LYS HG3 H 1.43 0.02 2 21 3 LYS HD2 H 1.23 0.02 2 22 3 LYS HD3 H 1.35 0.02 2 23 3 LYS C C 175.43 0.05 1 24 3 LYS CA C 54.72 0.3 1 25 3 LYS CB C 37.99 0.3 1 26 3 LYS CG C 25.19 0.3 1 27 3 LYS CD C 29.79 0.3 1 28 3 LYS CE C 41.74 0.3 1 29 3 LYS N N 115.44 0.1 1 30 4 ILE H H 9.45 0.02 1 31 4 ILE HA H 5.32 0.02 1 32 4 ILE HB H 1.52 0.02 1 33 4 ILE HG12 H 1.00 0.02 2 34 4 ILE HG13 H 1.87 0.02 2 35 4 ILE HG2 H 1.01 0.02 1 36 4 ILE HD1 H 0.67 0.02 1 37 4 ILE C C 170.76 0.05 1 38 4 ILE CA C 58.66 0.3 1 39 4 ILE CB C 43.88 0.3 1 40 4 ILE CG1 C 28.12 0.3 1 41 4 ILE CG2 C 14.84 0.3 1 42 4 ILE CD1 C 15.14 0.3 1 43 4 ILE N N 120.78 0.1 1 44 5 LEU H H 8.47 0.02 1 45 5 LEU HA H 4.14 0.02 1 46 5 LEU HB2 H -1.44 0.02 2 47 5 LEU HB3 H 1.01 0.02 2 48 5 LEU HG H 0.76 0.02 1 49 5 LEU HD1 H -0.49 0.02 1 50 5 LEU HD2 H 0.35 0.02 1 51 5 LEU C C 174.30 0.05 1 52 5 LEU CA C 53.90 0.3 1 53 5 LEU CB C 41.00 0.3 1 54 5 LEU CD1 C 19.90 0.3 1 55 5 LEU CD2 C 25.70 0.3 1 56 5 LEU N N 131.11 0.1 1 57 6 VAL H H 8.17 0.02 1 58 6 VAL HA H 5.06 0.02 1 59 6 VAL HB H 2.12 0.02 1 60 6 VAL HG1 H 0.95 0.02 1 61 6 VAL HG2 H 1.03 0.02 1 62 6 VAL C C 175.44 0.05 1 63 6 VAL CA C 59.45 0.3 1 64 6 VAL CB C 36.43 0.3 1 65 6 VAL CG1 C 20.79 0.3 1 66 6 VAL CG2 C 22.50 0.3 1 67 6 VAL N N 127.13 0.1 1 68 7 SER H H 9.98 0.02 1 69 7 SER HA H 5.59 0.02 1 70 7 SER HB2 H 3.71 0.02 1 71 7 SER HB3 H 3.71 0.02 1 72 7 SER C C 173.35 0.05 1 73 7 SER CA C 55.65 0.3 1 74 7 SER CB C 66.18 0.3 1 75 7 SER N N 122.84 0.1 1 76 8 LEU H H 8.58 0.02 1 77 8 LEU HA H 5.18 0.02 1 78 8 LEU HB2 H 1.50 0.02 2 79 8 LEU HB3 H 1.73 0.02 2 80 8 LEU HG H 1.17 0.02 1 81 8 LEU HD1 H 0.33 0.02 1 82 8 LEU HD2 H 0.96 0.02 1 83 8 LEU C C 176.00 0.05 1 84 8 LEU CA C 53.50 0.3 1 85 8 LEU CB C 46.26 0.3 1 86 8 LEU CD1 C 24.93 0.3 1 87 8 LEU CD2 C 24.54 0.3 1 88 8 LEU N N 123.18 0.1 1 89 9 MET H H 8.09 0.02 1 90 9 MET HA H 4.68 0.02 1 91 9 MET HB2 H 1.85 0.02 2 92 9 MET HB3 H 1.93 0.02 2 93 9 MET HG2 H 2.14 0.02 1 94 9 MET HG3 H 2.14 0.02 1 95 9 MET HE H 2.07 0.02 1 96 9 MET C C 174.35 0.05 1 97 9 MET CA C 55.48 0.3 1 98 9 MET CB C 38.16 0.3 1 99 9 MET CG C 31.38 0.3 1 100 9 MET CE C 16.94 0.3 1 101 9 MET N N 119.75 0.1 1 102 10 TYR H H 9.99 0.02 1 103 10 TYR HA H 4.53 0.02 1 104 10 TYR HB2 H 2.38 0.02 2 105 10 TYR HB3 H 2.94 0.02 2 106 10 TYR HD1 H 6.58 0.02 1 107 10 TYR HD2 H 6.58 0.02 1 108 10 TYR HE1 H 6.72 0.02 1 109 10 TYR HE2 H 6.72 0.02 1 110 10 TYR C C 174.54 0.05 1 111 10 TYR CA C 58.63 0.3 1 112 10 TYR CB C 38.90 0.3 1 113 10 TYR N N 131.08 0.1 1 114 11 SER H H 8.41 0.02 1 115 11 SER HA H 5.11 0.02 1 116 11 SER HB2 H 3.64 0.02 2 117 11 SER HB3 H 3.67 0.02 2 118 11 SER C C 176.07 0.05 1 119 11 SER CA C 54.60 0.3 1 120 11 SER CB C 63.95 0.3 1 121 11 SER N N 123.70 0.1 1 122 12 THR H H 10.63 0.02 1 123 12 THR HA H 4.24 0.02 1 124 12 THR HB H 4.30 0.02 1 125 12 THR HG2 H 1.41 0.02 1 126 12 THR C C 177.96 0.05 1 127 12 THR CA C 65.03 0.3 1 128 12 THR CB C 68.40 0.3 1 129 12 THR CG2 C 22.25 0.3 1 130 12 THR N N 127.48 0.1 1 131 13 GLN H H 8.14 0.02 1 132 13 GLN HA H 4.05 0.02 1 133 13 GLN HB2 H 1.92 0.02 2 134 13 GLN HB3 H 1.98 0.02 2 135 13 GLN HG2 H 2.28 0.02 2 136 13 GLN HG3 H 2.36 0.02 2 137 13 GLN HE21 H 6.75 0.02 2 138 13 GLN HE22 H 7.45 0.02 2 139 13 GLN C C 177.97 0.05 1 140 13 GLN CA C 58.45 0.3 1 141 13 GLN CB C 28.68 0.3 1 142 13 GLN CG C 33.83 0.3 1 143 13 GLN N N 122.15 0.1 1 144 13 GLN NE2 N 112.70 0.1 1 145 14 GLN H H 7.76 0.02 1 146 14 GLN HA H 4.14 0.02 1 147 14 GLN HB2 H 1.48 0.02 2 148 14 GLN HB3 H 1.92 0.02 2 149 14 GLN HG2 H 2.05 0.02 1 150 14 GLN HG3 H 2.05 0.02 1 151 14 GLN HE21 H 6.41 0.02 2 152 14 GLN HE22 H 6.78 0.02 2 153 14 GLN C C 176.73 0.05 1 154 14 GLN CA C 56.19 0.3 1 155 14 GLN CB C 30.05 0.3 1 156 14 GLN CG C 34.76 0.3 1 157 14 GLN N N 114.77 0.1 1 158 14 GLN NE2 N 110.30 0.1 1 159 15 GLY H H 7.95 0.02 1 160 15 GLY HA2 H 3.95 0.02 1 161 15 GLY HA3 H 3.95 0.02 1 162 15 GLY C C 175.26 0.05 1 163 15 GLY CA C 46.84 0.3 1 164 15 GLY N N 110.99 0.1 1 165 16 GLY H H 7.29 0.02 1 166 16 GLY HA2 H 4.26 0.02 2 167 16 GLY HA3 H 4.35 0.02 2 168 16 GLY C C 180.47 0.05 1 169 16 GLY CA C 46.67 0.3 1 170 16 GLY N N 103.87 0.1 1 171 17 LEU H H 8.19 0.02 1 172 17 LEU HA H 4.55 0.02 1 173 17 LEU HB2 H 1.15 0.02 2 174 17 LEU HB3 H 1.81 0.02 2 175 17 LEU HG H 1.40 0.02 1 176 17 LEU HD1 H 0.71 0.02 1 177 17 LEU HD2 H 0.74 0.02 1 178 17 LEU C C 174.38 0.05 1 179 17 LEU CA C 52.96 0.3 1 180 17 LEU CB C 46.58 0.3 1 181 17 LEU CD1 C 23.23 0.3 1 182 17 LEU CD2 C 26.21 0.3 1 183 17 LEU N N 120.78 0.1 1 184 18 ILE H H 9.41 0.02 1 185 18 ILE HA H 4.95 0.02 1 186 18 ILE HB H 1.78 0.02 1 187 18 ILE HG12 H 1.19 0.02 2 188 18 ILE HG13 H 1.61 0.02 2 189 18 ILE HG2 H 0.69 0.02 1 190 18 ILE HD1 H 0.85 0.02 1 191 18 ILE C C 177.02 0.05 1 192 18 ILE CA C 60.57 0.3 1 193 18 ILE CB C 39.13 0.3 1 194 18 ILE CG1 C 28.82 0.3 1 195 18 ILE CG2 C 18.46 0.3 1 196 18 ILE CD1 C 15.14 0.3 1 197 18 ILE N N 127.48 0.1 1 198 19 VAL H H 9.34 0.02 1 199 19 VAL HA H 4.85 0.02 1 200 19 VAL HB H 2.07 0.02 1 201 19 VAL HG1 H 0.94 0.02 1 202 19 VAL HG2 H 1.02 0.02 1 203 19 VAL C C 175.24 0.05 1 204 19 VAL CA C 59.96 0.3 1 205 19 VAL CB C 33.93 0.3 1 206 19 VAL CG1 C 21.56 0.3 1 207 19 VAL CG2 C 21.22 0.3 1 208 19 VAL N N 130.57 0.1 1 209 20 GLY H H 9.85 0.02 1 210 20 GLY HA2 H 3.68 0.02 2 211 20 GLY HA3 H 5.02 0.02 2 212 20 GLY C C 173.38 0.05 1 213 20 GLY CA C 44.03 0.3 1 214 20 GLY N N 117.35 0.1 1 215 21 ILE H H 8.97 0.02 1 216 21 ILE HA H 4.45 0.02 1 217 21 ILE HB H 2.16 0.02 1 218 21 ILE HG12 H 1.12 0.02 2 219 21 ILE HG13 H 1.73 0.02 2 220 21 ILE HG2 H 0.65 0.02 1 221 21 ILE HD1 H 0.74 0.02 1 222 21 ILE C C 174.81 0.05 1 223 21 ILE CA C 57.27 0.3 1 224 21 ILE CB C 34.92 0.3 1 225 21 ILE CG1 C 26.06 0.3 1 226 21 ILE CG2 C 17.61 0.3 1 227 21 ILE CD1 C 9.41 0.3 1 228 21 ILE N N 126.45 0.1 1 229 22 ILE H H 8.23 0.02 1 230 22 ILE HA H 3.93 0.02 1 231 22 ILE HB H 1.55 0.02 1 232 22 ILE HG12 H 1.16 0.02 2 233 22 ILE HG13 H 1.34 0.02 2 234 22 ILE HG2 H 0.89 0.02 1 235 22 ILE HD1 H 0.62 0.02 1 236 22 ILE C C 177.29 0.05 1 237 22 ILE CA C 65.41 0.3 1 238 22 ILE CB C 37.12 0.3 1 239 22 ILE CG1 C 28.14 0.3 1 240 22 ILE CG2 C 18.30 0.3 1 241 22 ILE CD1 C 12.56 0.3 1 242 22 ILE N N 126.79 0.1 1 243 23 ARG H H 7.39 0.02 1 244 23 ARG HA H 5.25 0.02 1 245 23 ARG HB2 H 2.21 0.02 2 246 23 ARG HB3 H 2.33 0.02 2 247 23 ARG HG2 H 1.29 0.02 1 248 23 ARG HG3 H 1.29 0.02 1 249 23 ARG HD2 H 3.23 0.02 2 250 23 ARG HD3 H 3.38 0.02 2 251 23 ARG C C 173.93 0.05 1 252 23 ARG CA C 54.68 0.3 1 253 23 ARG CB C 31.95 0.3 1 254 23 ARG CG C 26.34 0.3 1 255 23 ARG CD C 42.67 0.3 1 256 23 ARG N N 110.99 0.1 1 257 24 CYS H H 8.81 0.02 1 258 24 CYS HA H 5.87 0.02 1 259 24 CYS HB2 H 2.49 0.02 2 260 24 CYS HB3 H 3.26 0.02 2 261 24 CYS C C 173.75 0.05 1 262 24 CYS CA C 56.79 0.3 1 263 24 CYS CB C 32.50 0.3 1 264 24 CYS N N 114.60 0.1 1 265 25 VAL H H 8.70 0.02 1 266 25 VAL HA H 5.20 0.02 1 267 25 VAL HB H 1.68 0.02 1 268 25 VAL HG1 H 0.79 0.02 1 269 25 VAL HG2 H 0.60 0.02 1 270 25 VAL C C 174.55 0.05 1 271 25 VAL CA C 59.15 0.3 1 272 25 VAL CB C 36.31 0.3 1 273 25 VAL CG1 C 22.04 0.3 1 274 25 VAL CG2 C 19.86 0.3 1 275 25 VAL N N 114.08 0.1 1 276 26 HIS H H 8.58 0.02 1 277 26 HIS HA H 4.12 0.02 1 278 26 HIS HB2 H 3.11 0.02 2 279 26 HIS HB3 H 3.31 0.02 2 280 26 HIS HD2 H 7.17 0.02 1 281 26 HIS HE1 H 8.44 0.02 1 282 26 HIS C C 173.95 0.05 1 283 26 HIS CA C 55.07 0.3 1 284 26 HIS CB C 27.13 0.3 1 285 26 HIS N N 117.69 0.1 1 286 27 LEU H H 8.57 0.02 1 287 27 LEU HA H 4.51 0.02 1 288 27 LEU HB2 H 1.32 0.02 2 289 27 LEU HB3 H 1.67 0.02 2 290 27 LEU HG H 1.61 0.02 1 291 27 LEU HD1 H 0.71 0.02 1 292 27 LEU HD2 H 0.92 0.02 1 293 27 LEU C C 177.25 0.05 1 294 27 LEU CA C 54.59 0.3 1 295 27 LEU CB C 42.86 0.3 1 296 27 LEU CD1 C 27.16 0.3 1 297 27 LEU CD2 C 22.90 0.3 1 298 27 LEU N N 115.11 0.1 1 299 28 ALA H H 6.34 0.02 1 300 28 ALA HA H 4.05 0.02 1 301 28 ALA HB H 1.21 0.02 1 302 28 ALA C C 176.82 0.05 1 303 28 ALA CA C 52.06 0.3 1 304 28 ALA CB C 19.48 0.3 1 305 28 ALA N N 120.27 0.1 1 306 29 ALA H H 8.19 0.02 1 307 29 ALA HA H 3.94 0.02 1 308 29 ALA HB H 1.10 0.02 1 309 29 ALA C C 177.92 0.05 1 310 29 ALA CA C 51.33 0.3 1 311 29 ALA CB C 18.87 0.3 1 312 29 ALA N N 124.73 0.1 1 313 30 MET H H 7.94 0.02 1 314 30 MET HA H 4.87 0.02 1 315 30 MET HB2 H 1.80 0.02 2 316 30 MET HB3 H 2.56 0.02 2 317 30 MET HG2 H 2.00 0.02 2 318 30 MET HG3 H 2.25 0.02 2 319 30 MET HE H 2.00 0.02 1 320 30 MET C C 176.25 0.05 1 321 30 MET CA C 53.17 0.3 1 322 30 MET CB C 31.94 0.3 1 323 30 MET CG C 32.45 0.3 1 324 30 MET CE C 17.34 0.3 1 325 30 MET N N 121.47 0.1 1 326 31 ASP H H 8.38 0.02 1 327 31 ASP HA H 5.38 0.02 1 328 31 ASP HB2 H 2.78 0.02 2 329 31 ASP HB3 H 3.09 0.02 2 330 31 ASP C C 177.26 0.05 1 331 31 ASP CA C 53.05 0.3 1 332 31 ASP CB C 43.65 0.3 1 333 31 ASP N N 124.56 0.1 1 334 32 ALA HA H 4.10 0.02 1 335 32 ALA HB H 1.45 0.02 1 336 32 ALA C C 177.28 0.05 1 337 32 ALA CA C 54.03 0.3 1 338 32 ALA CB C 18.31 0.3 1 339 33 ASN H H 7.65 0.02 1 340 33 ASN HA H 4.45 0.02 1 341 33 ASN HB2 H 2.92 0.02 2 342 33 ASN HB3 H 3.28 0.02 2 343 33 ASN HD21 H 7.54 0.02 1 344 33 ASN HD22 H 7.45 0.02 2 345 33 ASN C C 175.99 0.05 1 346 33 ASN CA C 52.68 0.3 1 347 33 ASN CB C 37.26 0.3 1 348 33 ASN N N 114.43 0.1 1 349 33 ASN ND2 N 108.25 0.1 1 350 34 GLY H H 7.81 0.02 1 351 34 GLY HA2 H 3.44 0.02 2 352 34 GLY HA3 H 3.95 0.02 2 353 34 GLY C C 173.12 0.05 1 354 34 GLY CA C 45.03 0.3 1 355 34 GLY N N 106.84 0.1 1 356 35 TYR H H 7.98 0.02 1 357 35 TYR HA H 4.73 0.02 1 358 35 TYR HB2 H 2.85 0.02 1 359 35 TYR HB3 H 2.85 0.02 1 360 35 TYR HD1 H 6.68 0.02 1 361 35 TYR HD2 H 6.68 0.02 1 362 35 TYR HE1 H 6.81 0.02 1 363 35 TYR HE2 H 6.81 0.02 1 364 35 TYR C C 172.30 0.05 1 365 35 TYR CA C 56.48 0.3 1 366 35 TYR CB C 41.33 0.3 1 367 35 TYR N N 119.23 0.1 1 368 36 SER H H 6.93 0.02 1 369 36 SER HA H 4.60 0.02 1 370 36 SER HB2 H 3.54 0.02 2 371 36 SER HB3 H 3.70 0.02 2 372 36 SER C C 170.94 0.05 1 373 36 SER CA C 57.70 0.3 1 374 36 SER CB C 69.73 0.3 1 375 36 SER N N 113.40 0.1 1 376 37 ASP H H 9.20 0.02 1 377 37 ASP HA H 6.06 0.02 1 378 37 ASP HB2 H 2.66 0.02 2 379 37 ASP HB3 H 3.77 0.02 2 380 37 ASP C C 173.86 0.05 1 381 37 ASP CA C 52.16 0.3 1 382 37 ASP CB C 42.67 0.3 1 383 37 ASP N N 122.50 0.1 1 384 38 PRO HA H 5.92 0.02 1 385 38 PRO HB2 H 1.73 0.02 2 386 38 PRO HB3 H 1.89 0.02 2 387 38 PRO HG2 H 1.59 0.02 1 388 38 PRO HG3 H 1.59 0.02 1 389 38 PRO HD2 H 3.65 0.02 2 390 38 PRO HD3 H 3.96 0.02 2 391 38 PRO C C 176.85 0.05 1 392 38 PRO CA C 62.67 0.3 1 393 38 PRO CB C 34.44 0.3 1 394 38 PRO CG C 28.78 0.3 1 395 38 PRO CD C 51.43 0.3 1 396 39 PHE H H 8.95 0.02 1 397 39 PHE HA H 4.88 0.02 1 398 39 PHE HB2 H 2.77 0.02 2 399 39 PHE HB3 H 3.19 0.02 2 400 39 PHE HD1 H 7.18 0.02 1 401 39 PHE HD2 H 7.18 0.02 1 402 39 PHE HE1 H 6.98 0.02 1 403 39 PHE HE2 H 6.98 0.02 1 404 39 PHE HZ H 7.04 0.02 1 405 39 PHE C C 171.95 0.05 1 406 39 PHE CA C 56.11 0.3 1 407 39 PHE CB C 42.41 0.3 1 408 39 PHE N N 114.60 0.1 1 409 40 VAL H H 8.51 0.02 1 410 40 VAL HA H 4.96 0.02 1 411 40 VAL HB H 1.57 0.02 1 412 40 VAL HG1 H 0.69 0.02 1 413 40 VAL HG2 H 0.39 0.02 1 414 40 VAL C C 175.01 0.05 1 415 40 VAL CA C 60.54 0.3 1 416 40 VAL CB C 33.55 0.3 1 417 40 VAL CG1 C 21.94 0.3 1 418 40 VAL CG2 C 22.14 0.3 1 419 40 VAL N N 121.47 0.1 1 420 41 LYS H H 9.66 0.02 1 421 41 LYS HA H 5.03 0.02 1 422 41 LYS HB2 H 1.87 0.02 2 423 41 LYS HB3 H 2.14 0.02 2 424 41 LYS HG2 H 1.34 0.02 2 425 41 LYS HG3 H 1.45 0.02 2 426 41 LYS HD2 H 1.49 0.02 1 427 41 LYS HD3 H 1.49 0.02 1 428 41 LYS HE2 H 2.37 0.02 2 429 41 LYS HE3 H 2.70 0.02 2 430 41 LYS C C 175.37 0.05 1 431 41 LYS CA C 55.36 0.3 1 432 41 LYS CB C 35.26 0.3 1 433 41 LYS CG C 25.80 0.3 1 434 41 LYS CD C 29.80 0.3 1 435 41 LYS CE C 41.66 0.3 1 436 41 LYS N N 125.93 0.1 1 437 42 LEU H H 8.89 0.02 1 438 42 LEU HA H 5.38 0.02 1 439 42 LEU HB2 H 1.48 0.02 2 440 42 LEU HB3 H 1.68 0.02 2 441 42 LEU HG H 1.48 0.02 1 442 42 LEU HD1 H 0.51 0.02 1 443 42 LEU HD2 H 0.65 0.02 1 444 42 LEU C C 176.45 0.05 1 445 42 LEU CA C 54.13 0.3 1 446 42 LEU CB C 45.48 0.3 1 447 42 LEU CD1 C 26.11 0.3 1 448 42 LEU CD2 C 26.60 0.3 1 449 42 LEU N N 123.36 0.1 1 450 43 TRP H H 8.82 0.02 1 451 43 TRP HA H 5.45 0.02 1 452 43 TRP HB2 H 3.07 0.02 2 453 43 TRP HB3 H 3.40 0.02 2 454 43 TRP HD1 H 6.94 0.02 1 455 43 TRP HE1 H 10.56 0.02 1 456 43 TRP HE3 H 7.59 0.02 1 457 43 TRP HZ2 H 7.46 0.02 1 458 43 TRP HZ3 H 7.11 0.02 1 459 43 TRP HH2 H 7.21 0.02 1 460 43 TRP C C 173.86 0.05 1 461 43 TRP CA C 54.59 0.3 1 462 43 TRP CB C 32.41 0.3 1 463 43 TRP N N 124.56 0.1 1 464 43 TRP NE1 N 129.20 0.1 1 465 44 LEU H H 8.34 0.02 1 466 44 LEU HA H 4.78 0.02 1 467 44 LEU HB2 H 0.33 0.02 2 468 44 LEU HB3 H 1.56 0.02 2 469 44 LEU HG H 1.10 0.02 1 470 44 LEU HD1 H 0.53 0.02 1 471 44 LEU HD2 H 0.35 0.02 1 472 44 LEU C C 173.89 0.05 1 473 44 LEU CA C 53.61 0.3 1 474 44 LEU CB C 42.48 0.3 1 475 44 LEU CD1 C 24.07 0.3 1 476 44 LEU CD2 C 26.17 0.3 1 477 44 LEU N N 130.18 0.1 1 478 45 LYS H H 8.52 0.02 1 479 45 LYS HA H 4.17 0.02 1 480 45 LYS HB2 H 0.84 0.02 2 481 45 LYS HB3 H 1.07 0.02 2 482 45 LYS HG2 H 0.22 0.02 2 483 45 LYS HG3 H 0.54 0.02 2 484 45 LYS HD2 H 0.65 0.02 2 485 45 LYS HD3 H 0.77 0.02 2 486 45 LYS C C 173.83 0.05 1 487 45 LYS CA C 53.81 0.3 1 488 45 LYS CB C 33.64 0.3 1 489 45 LYS CG C 23.24 0.3 1 490 45 LYS CD C 28.94 0.3 1 491 45 LYS CE C 41.54 0.3 1 492 45 LYS N N 127.13 0.1 1 493 46 PRO HA H 4.43 0.02 1 494 46 PRO HB2 H 2.14 0.02 1 495 46 PRO HB3 H 2.14 0.02 1 496 46 PRO HG2 H 1.70 0.02 2 497 46 PRO HG3 H 1.88 0.02 2 498 46 PRO HD2 H 3.38 0.02 2 499 46 PRO HD3 H 3.56 0.02 2 500 46 PRO C C 176.41 0.05 1 501 46 PRO CA C 62.72 0.3 1 502 46 PRO CB C 34.17 0.3 1 503 46 PRO CG C 24.15 0.3 1 504 46 PRO CD C 49.48 0.3 1 505 47 ASP H H 8.51 0.02 1 506 47 ASP HA H 4.49 0.02 1 507 47 ASP HB2 H 2.85 0.02 1 508 47 ASP HB3 H 2.85 0.02 1 509 47 ASP C C 176.36 0.05 1 510 47 ASP CA C 55.74 0.3 1 511 47 ASP CB C 40.56 0.3 1 512 47 ASP N N 120.27 0.1 1 513 48 MET H H 8.89 0.02 1 514 48 MET HA H 4.80 0.02 1 515 48 MET HB2 H 2.04 0.02 2 516 48 MET HB3 H 2.13 0.02 2 517 48 MET HG2 H 2.40 0.02 2 518 48 MET HG3 H 2.50 0.02 2 519 48 MET HE H 2.07 0.02 1 520 48 MET C C 178.02 0.05 1 521 48 MET CA C 54.13 0.3 1 522 48 MET CB C 31.24 0.3 1 523 48 MET CG C 31.84 0.3 1 524 48 MET CE C 16.24 0.3 1 525 48 MET N N 118.72 0.1 1 526 49 GLY H H 8.53 0.02 1 527 49 GLY HA2 H 3.95 0.02 2 528 49 GLY HA3 H 4.10 0.02 2 529 49 GLY C C 175.87 0.05 1 530 49 GLY CA C 45.61 0.3 1 531 49 GLY N N 110.13 0.1 1 532 50 LYS H H 8.58 0.02 1 533 50 LYS HA H 4.12 0.02 1 534 50 LYS HB2 H 1.89 0.02 1 535 50 LYS HB3 H 1.89 0.02 1 536 50 LYS HG2 H 1.50 0.02 1 537 50 LYS HG3 H 1.50 0.02 1 538 50 LYS HD2 H 1.71 0.02 1 539 50 LYS HD3 H 1.71 0.02 1 540 50 LYS HE2 H 3.01 0.02 1 541 50 LYS HE3 H 3.01 0.02 1 542 50 LYS C C 178.23 0.05 1 543 50 LYS CA C 58.14 0.3 1 544 50 LYS CB C 32.35 0.3 1 545 50 LYS CG C 24.99 0.3 1 546 50 LYS CD C 29.10 0.3 1 547 50 LYS N N 122.84 0.1 1 548 51 LYS H H 8.23 0.02 1 549 51 LYS HA H 4.40 0.02 1 550 51 LYS HB2 H 1.91 0.02 2 551 51 LYS HB3 H 2.12 0.02 2 552 51 LYS HG2 H 1.51 0.02 1 553 51 LYS HG3 H 1.51 0.02 1 554 51 LYS HD2 H 1.80 0.02 1 555 51 LYS HD3 H 1.80 0.02 1 556 51 LYS HE2 H 3.09 0.02 1 557 51 LYS HE3 H 3.09 0.02 1 558 51 LYS C C 176.65 0.05 1 559 51 LYS CA C 56.34 0.3 1 560 51 LYS CB C 31.94 0.3 1 561 51 LYS CG C 25.14 0.3 1 562 51 LYS CD C 29.23 0.3 1 563 51 LYS N N 118.55 0.1 1 564 52 ALA H H 7.59 0.02 1 565 52 ALA HA H 4.44 0.02 1 566 52 ALA HB H 1.72 0.02 1 567 52 ALA C C 178.80 0.05 1 568 52 ALA CA C 54.01 0.3 1 569 52 ALA CB C 21.18 0.3 1 570 52 ALA N N 121.12 0.1 1 571 53 LYS H H 7.73 0.02 1 572 53 LYS HA H 5.39 0.02 1 573 53 LYS HB2 H 1.48 0.02 2 574 53 LYS HB3 H 1.70 0.02 2 575 53 LYS HG2 H 0.92 0.02 2 576 53 LYS HG3 H 1.00 0.02 2 577 53 LYS HD2 H 1.14 0.02 1 578 53 LYS HD3 H 1.14 0.02 1 579 53 LYS HE2 H 1.62 0.02 2 580 53 LYS HE3 H 1.97 0.02 2 581 53 LYS C C 175.34 0.05 1 582 53 LYS CA C 55.41 0.3 1 583 53 LYS CB C 35.46 0.3 1 584 53 LYS CG C 25.29 0.3 1 585 53 LYS CD C 29.34 0.3 1 586 53 LYS CE C 41.21 0.3 1 587 53 LYS N N 120.78 0.1 1 588 54 HIS H H 8.48 0.02 1 589 54 HIS HA H 4.77 0.02 1 590 54 HIS HB2 H 1.90 0.02 2 591 54 HIS HB3 H 2.43 0.02 2 592 54 HIS HD2 H 6.50 0.02 1 593 54 HIS HE1 H 8.46 0.02 1 594 54 HIS C C 173.69 0.05 1 595 54 HIS CA C 54.54 0.3 1 596 54 HIS CB C 35.95 0.3 1 597 54 HIS N N 118.38 0.1 1 598 55 LYS H H 8.44 0.02 1 599 55 LYS HA H 5.49 0.02 1 600 55 LYS HB2 H 1.81 0.02 2 601 55 LYS HB3 H 1.91 0.02 2 602 55 LYS HG2 H 1.38 0.02 2 603 55 LYS HG3 H 1.52 0.02 2 604 55 LYS HD2 H 1.51 0.02 1 605 55 LYS HD3 H 1.51 0.02 1 606 55 LYS HE2 H 2.77 0.02 1 607 55 LYS HE3 H 2.77 0.02 1 608 55 LYS C C 175.96 0.05 1 609 55 LYS CA C 54.94 0.3 1 610 55 LYS CB C 36.38 0.3 1 611 55 LYS CG C 23.47 0.3 1 612 55 LYS CD C 29.78 0.3 1 613 55 LYS N N 119.75 0.1 1 614 56 THR H H 8.66 0.02 1 615 56 THR HA H 5.00 0.02 1 616 56 THR HB H 4.90 0.02 1 617 56 THR HG2 H 0.89 0.02 1 618 56 THR C C 175.63 0.05 1 619 56 THR CA C 61.26 0.3 1 620 56 THR CB C 72.16 0.3 1 621 56 THR CG2 C 20.09 0.3 1 622 56 THR N N 111.85 0.1 1 623 57 GLN H H 10.01 0.02 1 624 57 GLN HA H 4.21 0.02 1 625 57 GLN HB2 H 1.98 0.02 2 626 57 GLN HB3 H 2.27 0.02 2 627 57 GLN HG2 H 2.62 0.02 1 628 57 GLN HG3 H 2.62 0.02 1 629 57 GLN HE21 H 6.88 0.02 2 630 57 GLN HE22 H 7.91 0.02 2 631 57 GLN C C 176.09 0.05 1 632 57 GLN CA C 56.08 0.3 1 633 57 GLN CB C 30.20 0.3 1 634 57 GLN CG C 34.41 0.3 1 635 57 GLN N N 118.55 0.1 1 636 57 GLN NE2 N 114.80 0.1 1 637 58 ILE H H 8.13 0.02 1 638 58 ILE HA H 4.50 0.02 1 639 58 ILE HB H 1.27 0.02 1 640 58 ILE HG12 H 0.44 0.02 2 641 58 ILE HG13 H 1.23 0.02 2 642 58 ILE HG2 H 0.60 0.02 1 643 58 ILE HD1 H -0.08 0.02 1 644 58 ILE C C 177.50 0.05 1 645 58 ILE CA C 61.12 0.3 1 646 58 ILE CB C 39.95 0.3 1 647 58 ILE CG1 C 28.47 0.3 1 648 58 ILE CG2 C 17.96 0.3 1 649 58 ILE CD1 C 13.94 0.3 1 650 58 ILE N N 121.64 0.1 1 651 59 LYS H H 8.69 0.02 1 652 59 LYS HA H 4.70 0.02 1 653 59 LYS HB2 H 1.54 0.02 2 654 59 LYS HB3 H 1.65 0.02 2 655 59 LYS HG2 H 0.86 0.02 2 656 59 LYS HG3 H 1.26 0.02 2 657 59 LYS HD2 H 1.52 0.02 2 658 59 LYS HD3 H 1.64 0.02 2 659 59 LYS C C 174.58 0.05 1 660 59 LYS CA C 52.15 0.3 1 661 59 LYS CB C 31.73 0.3 1 662 59 LYS CG C 24.59 0.3 1 663 59 LYS CD C 27.15 0.3 1 664 59 LYS CE C 42.93 0.3 1 665 59 LYS N N 129.20 0.1 1 666 60 LYS H H 7.97 0.02 1 667 60 LYS HA H 4.68 0.02 1 668 60 LYS HB2 H 1.66 0.02 1 669 60 LYS HB3 H 1.66 0.02 1 670 60 LYS HG2 H 1.30 0.02 2 671 60 LYS HG3 H 1.51 0.02 2 672 60 LYS HD2 H 1.65 0.02 1 673 60 LYS HD3 H 1.65 0.02 1 674 60 LYS HE2 H 2.91 0.02 1 675 60 LYS HE3 H 2.91 0.02 1 676 60 LYS C C 177.33 0.05 1 677 60 LYS CA C 55.53 0.3 1 678 60 LYS CB C 33.46 0.3 1 679 60 LYS CG C 25.20 0.3 1 680 60 LYS CD C 28.74 0.3 1 681 60 LYS N N 119.06 0.1 1 682 61 LYS H H 9.82 0.02 1 683 61 LYS HA H 3.63 0.02 1 684 61 LYS HB2 H 1.31 0.02 2 685 61 LYS HB3 H 1.61 0.02 2 686 61 LYS HG2 H 0.65 0.02 2 687 61 LYS HG3 H 1.00 0.02 2 688 61 LYS HD2 H 1.42 0.02 2 689 61 LYS HD3 H 1.47 0.02 2 690 61 LYS C C 174.10 0.05 1 691 61 LYS CA C 56.57 0.3 1 692 61 LYS CB C 31.86 0.3 1 693 61 LYS CG C 25.90 0.3 1 694 61 LYS CD C 29.51 0.3 1 695 61 LYS CE C 42.17 0.3 1 696 61 LYS N N 126.79 0.1 1 697 62 THR H H 8.57 0.02 1 698 62 THR HA H 4.78 0.02 1 699 62 THR HB H 4.17 0.02 1 700 62 THR HG2 H 0.78 0.02 1 701 62 THR C C 170.94 0.05 1 702 62 THR CA C 60.29 0.3 1 703 62 THR CB C 68.65 0.3 1 704 62 THR CG2 C 20.51 0.3 1 705 62 THR N N 113.22 0.1 1 706 63 LEU H H 8.91 0.02 1 707 63 LEU HA H 4.58 0.02 1 708 63 LEU HB2 H 1.60 0.02 2 709 63 LEU HB3 H 2.01 0.02 2 710 63 LEU HG H 1.72 0.02 1 711 63 LEU HD1 H 0.94 0.02 1 712 63 LEU HD2 H 0.71 0.02 1 713 63 LEU C C 176.15 0.05 1 714 63 LEU CA C 52.90 0.3 1 715 63 LEU CB C 40.80 0.3 1 716 63 LEU CD1 C 24.23 0.3 1 717 63 LEU CD2 C 21.45 0.3 1 718 63 LEU N N 123.70 0.1 1 719 64 ASN H H 8.57 0.02 1 720 64 ASN HA H 5.46 0.02 1 721 64 ASN HB2 H 2.60 0.02 2 722 64 ASN HB3 H 2.73 0.02 2 723 64 ASN HD21 H 7.58 0.02 2 724 64 ASN HD22 H 7.25 0.02 2 725 64 ASN C C 172.74 0.05 1 726 64 ASN CA C 50.98 0.3 1 727 64 ASN CB C 41.35 0.3 1 728 64 ASN N N 117.00 0.1 1 729 64 ASN ND2 N 119.20 0.1 1 730 65 PRO HA H 4.08 0.02 1 731 65 PRO HB2 H 0.64 0.02 2 732 65 PRO HB3 H 2.00 0.02 2 733 65 PRO HG2 H 1.45 0.02 1 734 65 PRO HG3 H 1.45 0.02 1 735 65 PRO HD2 H 3.03 0.02 1 736 65 PRO HD3 H 3.03 0.02 1 737 65 PRO C C 174.89 0.05 1 738 65 PRO CA C 62.40 0.3 1 739 65 PRO CB C 31.99 0.3 1 740 65 PRO CG C 28.76 0.3 1 741 65 PRO CD C 50.24 0.3 1 742 66 GLU H H 8.17 0.02 1 743 66 GLU HA H 4.38 0.02 1 744 66 GLU HB2 H 1.86 0.02 2 745 66 GLU HB3 H 1.97 0.02 2 746 66 GLU HG2 H 2.12 0.02 2 747 66 GLU HG3 H 2.22 0.02 2 748 66 GLU C C 175.27 0.05 1 749 66 GLU CA C 54.99 0.3 1 750 66 GLU CB C 30.53 0.3 1 751 66 GLU CG C 35.95 0.3 1 752 66 GLU N N 121.12 0.1 1 753 67 PHE H H 8.20 0.02 1 754 67 PHE HA H 4.71 0.02 1 755 67 PHE HB2 H 2.88 0.02 2 756 67 PHE HB3 H 3.16 0.02 2 757 67 PHE HD1 H 7.06 0.02 1 758 67 PHE HD2 H 7.06 0.02 1 759 67 PHE HE1 H 6.78 0.02 1 760 67 PHE HE2 H 6.78 0.02 1 761 67 PHE HZ H 7.62 0.02 1 762 67 PHE C C 175.99 0.05 1 763 67 PHE CA C 59.90 0.3 1 764 67 PHE CB C 40.49 0.3 1 765 67 PHE N N 121.47 0.1 1 766 68 ASN H H 9.22 0.02 1 767 68 ASN HA H 4.33 0.02 1 768 68 ASN HB2 H 2.85 0.02 1 769 68 ASN HB3 H 2.85 0.02 1 770 68 ASN HD21 H 7.55 0.02 2 771 68 ASN HD22 H 6.94 0.02 2 772 68 ASN C C 174.06 0.05 1 773 68 ASN CA C 54.71 0.3 1 774 68 ASN CB C 37.70 0.3 1 775 68 ASN N N 117.69 0.1 1 776 68 ASN ND2 N 114.10 0.1 1 777 69 GLU H H 7.73 0.02 1 778 69 GLU HA H 4.59 0.02 1 779 69 GLU HB2 H 1.48 0.02 2 780 69 GLU HB3 H 1.85 0.02 2 781 69 GLU HG2 H 2.07 0.02 2 782 69 GLU HG3 H 2.31 0.02 2 783 69 GLU C C 175.05 0.05 1 784 69 GLU CA C 56.05 0.3 1 785 69 GLU CB C 35.32 0.3 1 786 69 GLU N N 116.83 0.1 1 787 70 GLU H H 8.13 0.02 1 788 70 GLU HA H 5.16 0.02 1 789 70 GLU HB2 H 1.55 0.02 1 790 70 GLU HB3 H 1.55 0.02 1 791 70 GLU HG2 H 1.81 0.02 2 792 70 GLU HG3 H 1.97 0.02 2 793 70 GLU C C 174.84 0.05 1 794 70 GLU CA C 54.08 0.3 1 795 70 GLU CB C 33.22 0.3 1 796 70 GLU CG C 36.59 0.3 1 797 70 GLU N N 121.47 0.1 1 798 71 PHE H H 8.92 0.02 1 799 71 PHE HA H 4.37 0.02 1 800 71 PHE HB2 H 1.83 0.02 2 801 71 PHE HB3 H 2.15 0.02 2 802 71 PHE HD1 H 6.78 0.02 1 803 71 PHE HD2 H 6.78 0.02 1 804 71 PHE HE1 H 6.99 0.02 1 805 71 PHE HE2 H 6.99 0.02 1 806 71 PHE HZ H 6.95 0.02 1 807 71 PHE C C 173.25 0.05 1 808 71 PHE CA C 56.39 0.3 1 809 71 PHE CB C 42.56 0.3 1 810 71 PHE N N 120.78 0.1 1 811 72 PHE H H 8.28 0.02 1 812 72 PHE HA H 5.38 0.02 1 813 72 PHE HB2 H 2.68 0.02 2 814 72 PHE HB3 H 2.91 0.02 2 815 72 PHE HD1 H 6.97 0.02 1 816 72 PHE HD2 H 6.97 0.02 1 817 72 PHE HE1 H 6.88 0.02 1 818 72 PHE HE2 H 6.88 0.02 1 819 72 PHE HZ H 6.92 0.02 1 820 72 PHE C C 174.80 0.05 1 821 72 PHE CA C 56.29 0.3 1 822 72 PHE CB C 42.21 0.3 1 823 72 PHE N N 122.67 0.1 1 824 73 TYR H H 8.60 0.02 1 825 73 TYR HA H 4.51 0.02 1 826 73 TYR HB2 H 2.56 0.02 1 827 73 TYR HB3 H 2.56 0.02 1 828 73 TYR HD1 H 7.05 0.02 1 829 73 TYR HD2 H 7.05 0.02 1 830 73 TYR HE1 H 6.88 0.02 1 831 73 TYR HE2 H 6.88 0.02 1 832 73 TYR C C 173.57 0.05 1 833 73 TYR CA C 56.96 0.3 1 834 73 TYR CB C 41.18 0.3 1 835 73 TYR N N 126.79 0.1 1 836 74 ASP H H 8.58 0.02 1 837 74 ASP HA H 4.27 0.02 1 838 74 ASP HB2 H 2.66 0.02 2 839 74 ASP HB3 H 2.83 0.02 2 840 74 ASP C C 174.94 0.05 1 841 74 ASP CA C 53.96 0.3 1 842 74 ASP CB C 40.19 0.3 1 843 74 ASP N N 124.22 0.1 1 844 75 ILE H H 7.73 0.02 1 845 75 ILE HA H 4.50 0.02 1 846 75 ILE HB H 1.94 0.02 1 847 75 ILE HG12 H 1.36 0.02 2 848 75 ILE HG13 H 1.70 0.02 2 849 75 ILE HG2 H 0.83 0.02 1 850 75 ILE HD1 H 0.74 0.02 1 851 75 ILE C C 173.72 0.05 1 852 75 ILE CA C 59.87 0.3 1 853 75 ILE CB C 40.30 0.3 1 854 75 ILE CG1 C 27.71 0.3 1 855 75 ILE CG2 C 16.35 0.3 1 856 75 ILE CD1 C 15.79 0.3 1 857 75 ILE N N 124.73 0.1 1 858 76 LYS H H 8.97 0.02 1 859 76 LYS HA H 4.30 0.02 1 860 76 LYS HB2 H 1.74 0.02 2 861 76 LYS HB3 H 1.90 0.02 2 862 76 LYS HG2 H 1.55 0.02 2 863 76 LYS HG3 H 1.62 0.02 2 864 76 LYS HD2 H 1.70 0.02 1 865 76 LYS HD3 H 1.70 0.02 1 866 76 LYS HE2 H 3.00 0.02 1 867 76 LYS HE3 H 3.00 0.02 1 868 76 LYS C C 178.03 0.05 1 869 76 LYS CA C 56.52 0.3 1 870 76 LYS CB C 32.82 0.3 1 871 76 LYS CG C 25.11 0.3 1 872 76 LYS CD C 29.07 0.3 1 873 76 LYS N N 128.51 0.1 1 874 77 HIS H H 8.57 0.02 1 875 77 HIS HA H 3.18 0.02 1 876 77 HIS HB2 H 2.11 0.02 2 877 77 HIS HB3 H 2.61 0.02 2 878 77 HIS HD2 H 5.87 0.02 1 879 77 HIS HE1 H 7.63 0.02 1 880 77 HIS C C 177.86 0.05 1 881 77 HIS CA C 61.32 0.3 1 882 77 HIS CB C 30.63 0.3 1 883 77 HIS N N 126.45 0.1 1 884 78 SER H H 8.16 0.02 1 885 78 SER HA H 3.94 0.02 1 886 78 SER HB2 H 3.83 0.02 2 887 78 SER HB3 H 3.88 0.02 2 888 78 SER C C 176.39 0.05 1 889 78 SER CA C 60.17 0.3 1 890 78 SER CB C 62.16 0.3 1 891 78 SER N N 110.82 0.1 1 892 79 ASP H H 7.19 0.02 1 893 79 ASP HA H 4.65 0.02 1 894 79 ASP HB2 H 2.61 0.02 2 895 79 ASP HB3 H 2.70 0.02 2 896 79 ASP C C 178.28 0.05 1 897 79 ASP CA C 55.53 0.3 1 898 79 ASP CB C 41.18 0.3 1 899 79 ASP N N 121.12 0.1 1 900 80 LEU H H 7.53 0.02 1 901 80 LEU HA H 3.88 0.02 1 902 80 LEU HB2 H 1.37 0.02 1 903 80 LEU HB3 H 1.37 0.02 1 904 80 LEU HG H 1.44 0.02 1 905 80 LEU HD1 H 0.73 0.02 1 906 80 LEU HD2 H 0.59 0.02 1 907 80 LEU C C 178.43 0.05 1 908 80 LEU CA C 57.74 0.3 1 909 80 LEU CB C 41.55 0.3 1 910 80 LEU CD1 C 25.87 0.3 1 911 80 LEU CD2 C 25.61 0.3 1 912 80 LEU N N 121.81 0.1 1 913 81 ALA H H 7.61 0.02 1 914 81 ALA HA H 4.06 0.02 1 915 81 ALA HB H 1.41 0.02 1 916 81 ALA C C 178.75 0.05 1 917 81 ALA CA C 54.47 0.3 1 918 81 ALA CB C 18.28 0.3 1 919 81 ALA N N 118.03 0.1 1 920 82 LYS H H 7.49 0.02 1 921 82 LYS HA H 4.39 0.02 1 922 82 LYS HB2 H 1.77 0.02 2 923 82 LYS HB3 H 2.06 0.02 2 924 82 LYS HG2 H 1.41 0.02 1 925 82 LYS HG3 H 1.41 0.02 1 926 82 LYS HD2 H 1.67 0.02 1 927 82 LYS HD3 H 1.67 0.02 1 928 82 LYS HE2 H 2.97 0.02 1 929 82 LYS HE3 H 2.97 0.02 1 930 82 LYS C C 176.67 0.05 1 931 82 LYS CA C 55.78 0.3 1 932 82 LYS CB C 33.07 0.3 1 933 82 LYS CG C 25.18 0.3 1 934 82 LYS CD C 29.21 0.3 1 935 82 LYS N N 115.97 0.1 1 936 83 LYS H H 7.55 0.02 1 937 83 LYS HA H 5.05 0.02 1 938 83 LYS HB2 H 1.80 0.02 2 939 83 LYS HB3 H 1.92 0.02 2 940 83 LYS HG2 H 1.17 0.02 2 941 83 LYS HG3 H 1.72 0.02 2 942 83 LYS HD2 H 1.33 0.02 2 943 83 LYS HD3 H 1.47 0.02 2 944 83 LYS C C 175.28 0.05 1 945 83 LYS CA C 53.25 0.3 1 946 83 LYS CB C 34.76 0.3 1 947 83 LYS CG C 25.24 0.3 1 948 83 LYS CD C 28.40 0.3 1 949 83 LYS CE C 42.54 0.3 1 950 83 LYS N N 118.72 0.1 1 951 84 SER H H 8.57 0.02 1 952 84 SER HA H 4.21 0.02 1 953 84 SER HB2 H 3.13 0.02 2 954 84 SER HB3 H 3.20 0.02 2 955 84 SER C C 171.61 0.05 1 956 84 SER CA C 56.50 0.3 1 957 84 SER CB C 65.55 0.3 1 958 84 SER N N 113.40 0.1 1 959 85 LEU H H 8.42 0.02 1 960 85 LEU HA H 4.77 0.02 1 961 85 LEU HB2 H 1.06 0.02 2 962 85 LEU HB3 H 1.62 0.02 2 963 85 LEU HG H 1.36 0.02 1 964 85 LEU HD1 H 0.84 0.02 1 965 85 LEU HD2 H 0.96 0.02 1 966 85 LEU C C 173.79 0.05 1 967 85 LEU CA C 53.12 0.3 1 968 85 LEU CB C 45.06 0.3 1 969 85 LEU CD1 C 23.52 0.3 1 970 85 LEU CD2 C 28.48 0.3 1 971 85 LEU N N 124.73 0.1 1 972 86 ASP H H 9.18 0.02 1 973 86 ASP HA H 4.81 0.02 1 974 86 ASP HB2 H 2.27 0.02 2 975 86 ASP HB3 H 3.06 0.02 2 976 86 ASP C C 175.45 0.05 1 977 86 ASP CA C 54.07 0.3 1 978 86 ASP CB C 43.79 0.3 1 979 86 ASP N N 130.05 0.1 1 980 87 ILE H H 8.71 0.02 1 981 87 ILE HA H 4.82 0.02 1 982 87 ILE HB H 2.05 0.02 1 983 87 ILE HG12 H 0.72 0.02 2 984 87 ILE HG13 H 1.54 0.02 2 985 87 ILE HG2 H 0.65 0.02 1 986 87 ILE HD1 H 0.65 0.02 1 987 87 ILE C C 174.90 0.05 1 988 87 ILE CA C 60.43 0.3 1 989 87 ILE CB C 39.28 0.3 1 990 87 ILE CG1 C 27.57 0.3 1 991 87 ILE CG2 C 17.82 0.3 1 992 87 ILE CD1 C 14.45 0.3 1 993 87 ILE N N 127.99 0.1 1 994 88 SER H H 9.38 0.02 1 995 88 SER HA H 5.11 0.02 1 996 88 SER HB2 H 3.73 0.02 2 997 88 SER HB3 H 4.13 0.02 2 998 88 SER C C 171.63 0.05 1 999 88 SER CA C 56.68 0.3 1 1000 88 SER CB C 65.83 0.3 1 1001 88 SER N N 121.64 0.1 1 1002 89 VAL H H 9.04 0.02 1 1003 89 VAL HA H 4.68 0.02 1 1004 89 VAL HB H 1.64 0.02 1 1005 89 VAL HG1 H 0.90 0.02 1 1006 89 VAL HG2 H 0.78 0.02 1 1007 89 VAL C C 173.86 0.05 1 1008 89 VAL CA C 61.23 0.3 1 1009 89 VAL CB C 31.85 0.3 1 1010 89 VAL CG1 C 21.43 0.3 1 1011 89 VAL CG2 C 22.88 0.3 1 1012 89 VAL N N 124.22 0.1 1 1013 90 TRP H H 8.64 0.02 1 1014 90 TRP HA H 4.64 0.02 1 1015 90 TRP HB2 H 1.34 0.02 2 1016 90 TRP HB3 H 2.60 0.02 2 1017 90 TRP HD1 H 6.56 0.02 1 1018 90 TRP HE1 H 10.52 0.02 1 1019 90 TRP HZ2 H 6.56 0.02 1 1020 90 TRP HZ3 H 7.19 0.02 1 1021 90 TRP HH2 H 6.99 0.02 1 1022 90 TRP C C 172.93 0.05 1 1023 90 TRP CA C 55.34 0.3 1 1024 90 TRP CB C 33.63 0.3 1 1025 90 TRP N N 127.99 0.1 1 1026 90 TRP NE1 N 128.70 0.1 1 1027 91 ASP H H 9.66 0.02 1 1028 91 ASP HA H 4.78 0.02 1 1029 91 ASP HB2 H 2.54 0.02 2 1030 91 ASP HB3 H 2.70 0.02 2 1031 91 ASP C C 175.31 0.05 1 1032 91 ASP CA C 51.44 0.3 1 1033 91 ASP CB C 42.74 0.3 1 1034 91 ASP N N 120.27 0.1 1 1035 92 TYR H H 9.62 0.02 1 1036 92 TYR HA H 4.61 0.02 1 1037 92 TYR HB2 H 3.18 0.02 1 1038 92 TYR HB3 H 3.18 0.02 1 1039 92 TYR HD1 H 6.99 0.02 1 1040 92 TYR HD2 H 6.99 0.02 1 1041 92 TYR HE1 H 6.70 0.02 1 1042 92 TYR HE2 H 6.70 0.02 1 1043 92 TYR C C 175.68 0.05 1 1044 92 TYR CA C 58.86 0.3 1 1045 92 TYR CB C 39.49 0.3 1 1046 92 TYR N N 127.65 0.1 1 1047 93 ASP H H 8.20 0.02 1 1048 93 ASP HA H 4.82 0.02 1 1049 93 ASP HB2 H 2.48 0.02 1 1050 93 ASP HB3 H 2.48 0.02 1 1051 93 ASP C C 172.64 0.05 1 1052 93 ASP CA C 51.95 0.3 1 1053 93 ASP CB C 43.69 0.3 1 1054 93 ASP N N 111.34 0.1 1 1055 94 ILE H H 7.97 0.02 1 1056 94 ILE HA H 3.85 0.02 1 1057 94 ILE HB H 1.66 0.02 1 1058 94 ILE HG12 H 1.14 0.02 2 1059 94 ILE HG13 H 1.52 0.02 2 1060 94 ILE HG2 H 0.88 0.02 1 1061 94 ILE HD1 H 0.92 0.02 1 1062 94 ILE C C 177.85 0.05 1 1063 94 ILE CA C 61.36 0.3 1 1064 94 ILE CB C 38.61 0.3 1 1065 94 ILE CG1 C 28.21 0.3 1 1066 94 ILE CG2 C 17.07 0.3 1 1067 94 ILE CD1 C 13.81 0.3 1 1068 94 ILE N N 119.92 0.1 1 1069 95 GLY H H 8.68 0.02 1 1070 95 GLY HA2 H 3.69 0.02 2 1071 95 GLY HA3 H 4.00 0.02 2 1072 95 GLY C C 173.16 0.05 1 1073 95 GLY CA C 45.48 0.3 1 1074 95 GLY N N 115.11 0.1 1 1075 96 LYS H H 7.58 0.02 1 1076 96 LYS HA H 4.57 0.02 1 1077 96 LYS HB2 H 1.89 0.02 1 1078 96 LYS HB3 H 1.89 0.02 1 1079 96 LYS HG2 H 1.21 0.02 2 1080 96 LYS HG3 H 1.31 0.02 2 1081 96 LYS HD2 H 1.56 0.02 2 1082 96 LYS HD3 H 1.80 0.02 2 1083 96 LYS C C 174.74 0.05 1 1084 96 LYS CA C 54.66 0.3 1 1085 96 LYS CB C 32.28 0.3 1 1086 96 LYS CG C 20.89 0.3 1 1087 96 LYS CD C 28.00 0.3 1 1088 96 LYS CE C 40.15 0.3 1 1089 96 LYS N N 116.32 0.1 1 1090 97 SER H H 8.16 0.02 1 1091 97 SER HA H 4.36 0.02 1 1092 97 SER HB2 H 3.95 0.02 2 1093 97 SER HB3 H 3.98 0.02 2 1094 97 SER C C 173.81 0.05 1 1095 97 SER CA C 58.27 0.3 1 1096 97 SER CB C 63.54 0.3 1 1097 97 SER N N 113.91 0.1 1 1098 98 ASN H H 8.41 0.02 1 1099 98 ASN HA H 4.83 0.02 1 1100 98 ASN HB2 H 2.71 0.02 2 1101 98 ASN HB3 H 3.02 0.02 2 1102 98 ASN HD21 H 7.59 0.02 2 1103 98 ASN HD22 H 7.15 0.02 2 1104 98 ASN C C 175.96 0.05 1 1105 98 ASN CA C 53.92 0.3 1 1106 98 ASN CB C 39.44 0.3 1 1107 98 ASN N N 120.64 0.1 1 1108 98 ASN ND2 N 114.60 0.1 1 1109 99 ASP H H 8.46 0.02 1 1110 99 ASP HA H 5.19 0.02 1 1111 99 ASP HB2 H 2.60 0.02 2 1112 99 ASP HB3 H 3.14 0.02 2 1113 99 ASP C C 175.61 0.05 1 1114 99 ASP CA C 54.05 0.3 1 1115 99 ASP CB C 43.32 0.3 1 1116 99 ASP N N 121.64 0.1 1 1117 100 TYR H H 8.97 0.02 1 1118 100 TYR HA H 3.50 0.02 1 1119 100 TYR HB2 H 2.27 0.02 2 1120 100 TYR HB3 H 2.45 0.02 2 1121 100 TYR HD1 H 5.57 0.02 1 1122 100 TYR HD2 H 5.57 0.02 1 1123 100 TYR HE1 H 6.38 0.02 1 1124 100 TYR HE2 H 6.38 0.02 1 1125 100 TYR C C 174.73 0.05 1 1126 100 TYR CA C 57.88 0.3 1 1127 100 TYR CB C 38.56 0.3 1 1128 100 TYR N N 126.62 0.1 1 1129 101 ILE H H 7.83 0.02 1 1130 101 ILE HA H 3.73 0.02 1 1131 101 ILE HB H 1.14 0.02 1 1132 101 ILE HG12 H 1.13 0.02 2 1133 101 ILE HG13 H 1.41 0.02 2 1134 101 ILE HG2 H 0.77 0.02 1 1135 101 ILE HD1 H 0.73 0.02 1 1136 101 ILE C C 175.18 0.05 1 1137 101 ILE CA C 63.72 0.3 1 1138 101 ILE CB C 37.97 0.3 1 1139 101 ILE CG2 C 18.65 0.3 1 1140 101 ILE CD1 C 14.26 0.3 1 1141 101 ILE N N 127.13 0.1 1 1142 102 GLY H H 6.49 0.02 1 1143 102 GLY HA2 H 3.34 0.02 2 1144 102 GLY HA3 H 3.48 0.02 2 1145 102 GLY C C 170.66 0.05 1 1146 102 GLY N N 102.52 0.1 1 1147 103 GLY H H 9.08 0.02 1 1148 103 GLY HA2 H 4.12 0.02 2 1149 103 GLY HA3 H 4.83 0.02 2 1150 103 GLY C C 172.64 0.05 1 1151 103 GLY CA C 45.82 0.3 1 1152 103 GLY N N 107.44 0.1 1 1153 104 CYS H H 9.08 0.02 1 1154 104 CYS HA H 4.84 0.02 1 1155 104 CYS HB2 H 2.57 0.02 2 1156 104 CYS HB3 H 3.02 0.02 2 1157 104 CYS C C 171.58 0.05 1 1158 104 CYS CA C 57.06 0.3 1 1159 104 CYS CB C 29.93 0.3 1 1160 104 CYS N N 114.60 0.1 1 1161 105 GLN H H 7.59 0.02 1 1162 105 GLN HA H 5.29 0.02 1 1163 105 GLN HB2 H 1.75 0.02 2 1164 105 GLN HB3 H 1.86 0.02 2 1165 105 GLN HG2 H 1.88 0.02 2 1166 105 GLN HG3 H 2.06 0.02 2 1167 105 GLN HE21 H 6.59 0.02 2 1168 105 GLN HE22 H 7.73 0.02 2 1169 105 GLN C C 174.30 0.05 1 1170 105 GLN CA C 54.24 0.3 1 1171 105 GLN CB C 31.18 0.3 1 1172 105 GLN CG C 34.48 0.3 1 1173 105 GLN N N 121.98 0.1 1 1174 105 GLN NE2 N 112.40 0.1 1 1175 106 LEU H H 8.65 0.02 1 1176 106 LEU HA H 4.32 0.02 1 1177 106 LEU HB2 H 1.40 0.02 2 1178 106 LEU HB3 H 1.49 0.02 2 1179 106 LEU HG H 1.50 0.02 1 1180 106 LEU HD1 H 0.72 0.02 1 1181 106 LEU HD2 H 0.49 0.02 1 1182 106 LEU C C 174.05 0.05 1 1183 106 LEU CA C 53.15 0.3 1 1184 106 LEU CB C 44.69 0.3 1 1185 106 LEU CD1 C 26.08 0.3 1 1186 106 LEU CD2 C 23.49 0.3 1 1187 106 LEU N N 123.87 0.1 1 1188 107 GLY H H 6.27 0.02 1 1189 107 GLY HA2 H 1.84 0.02 2 1190 107 GLY HA3 H 3.48 0.02 2 1191 107 GLY C C 173.68 0.05 1 1192 107 GLY CA C 43.78 0.3 1 1193 107 GLY N N 106.14 0.1 1 1194 108 ILE H H 8.32 0.02 1 1195 108 ILE HA H 4.09 0.02 1 1196 108 ILE HB H 1.98 0.02 1 1197 108 ILE HG12 H 1.45 0.02 1 1198 108 ILE HG13 H 1.45 0.02 1 1199 108 ILE HG2 H 0.93 0.02 1 1200 108 ILE HD1 H 0.93 0.02 1 1201 108 ILE C C 176.05 0.05 1 1202 108 ILE CA C 62.10 0.3 1 1203 108 ILE CB C 38.03 0.3 1 1204 108 ILE CG1 C 28.03 0.3 1 1205 108 ILE CG2 C 18.22 0.3 1 1206 108 ILE CD1 C 13.58 0.3 1 1207 108 ILE N N 117.35 0.1 1 1208 109 SER H H 7.85 0.02 1 1209 109 SER HA H 4.50 0.02 1 1210 109 SER HB2 H 3.70 0.02 2 1211 109 SER HB3 H 3.84 0.02 2 1212 109 SER C C 174.38 0.05 1 1213 109 SER CA C 57.33 0.3 1 1214 109 SER CB C 63.06 0.3 1 1215 109 SER N N 114.43 0.1 1 1216 110 ALA H H 7.05 0.02 1 1217 110 ALA HA H 4.35 0.02 1 1218 110 ALA HB H 1.32 0.02 1 1219 110 ALA C C 174.25 0.05 1 1220 110 ALA CA C 51.02 0.3 1 1221 110 ALA CB C 20.63 0.3 1 1222 110 ALA N N 124.90 0.1 1 1223 111 LYS H H 7.64 0.02 1 1224 111 LYS HA H 4.71 0.02 1 1225 111 LYS HB2 H 1.75 0.02 2 1226 111 LYS HB3 H 1.91 0.02 2 1227 111 LYS HG2 H 1.39 0.02 2 1228 111 LYS HG3 H 1.45 0.02 2 1229 111 LYS HD2 H 1.66 0.02 2 1230 111 LYS HD3 H 1.71 0.02 2 1231 111 LYS C C 178.29 0.05 1 1232 111 LYS CA C 54.39 0.3 1 1233 111 LYS CB C 35.97 0.3 1 1234 111 LYS CG C 24.74 0.3 1 1235 111 LYS CD C 28.98 0.3 1 1236 111 LYS N N 114.94 0.1 1 1237 112 GLY H H 8.85 0.02 1 1238 112 GLY HA2 H 3.93 0.02 2 1239 112 GLY HA3 H 4.09 0.02 2 1240 112 GLY CA C 47.04 0.3 1 1241 112 GLY N N 109.48 0.1 1 1242 113 GLU H H 7.62 0.02 1 1243 113 GLU HA H 4.23 0.02 1 1244 113 GLU HB2 H 2.37 0.02 1 1245 113 GLU HB3 H 2.37 0.02 1 1246 113 GLU HG2 H 2.48 0.02 2 1247 113 GLU HG3 H 2.54 0.02 2 1248 113 GLU C C 179.30 0.05 1 1249 113 GLU CA C 58.56 0.3 1 1250 113 GLU CB C 29.66 0.3 1 1251 113 GLU CG C 36.36 0.3 1 1252 113 GLU N N 120.24 0.1 1 1253 114 ARG H H 8.01 0.02 1 1254 114 ARG HA H 4.11 0.02 1 1255 114 ARG HB2 H 2.27 0.02 1 1256 114 ARG HB3 H 2.27 0.02 1 1257 114 ARG HG2 H 1.45 0.02 2 1258 114 ARG HG3 H 1.99 0.02 2 1259 114 ARG HD2 H 3.49 0.02 2 1260 114 ARG HD3 H 3.63 0.02 2 1261 114 ARG C C 177.25 0.05 1 1262 114 ARG CA C 59.88 0.3 1 1263 114 ARG CB C 30.85 0.3 1 1264 114 ARG CG C 28.56 0.3 1 1265 114 ARG CD C 43.97 0.3 1 1266 114 ARG N N 121.47 0.1 1 1267 115 LEU H H 6.57 0.02 1 1268 115 LEU HA H 4.36 0.02 1 1269 115 LEU HB2 H 1.31 0.02 2 1270 115 LEU HB3 H 1.73 0.02 2 1271 115 LEU HG H 1.51 0.02 1 1272 115 LEU HD1 H 0.97 0.02 1 1273 115 LEU HD2 H 0.97 0.02 1 1274 115 LEU C C 178.89 0.05 1 1275 115 LEU CA C 56.61 0.3 1 1276 115 LEU CB C 41.66 0.3 1 1277 115 LEU CD1 C 24.19 0.3 1 1278 115 LEU CD2 C 25.34 0.3 1 1279 115 LEU N N 120.95 0.1 1 1280 116 LYS H H 8.01 0.02 1 1281 116 LYS HA H 4.03 0.02 1 1282 116 LYS HB2 H 1.85 0.02 2 1283 116 LYS HB3 H 2.01 0.02 2 1284 116 LYS HG2 H 1.51 0.02 2 1285 116 LYS HG3 H 1.59 0.02 2 1286 116 LYS HD2 H 1.71 0.02 1 1287 116 LYS HD3 H 1.71 0.02 1 1288 116 LYS HE2 H 2.98 0.02 1 1289 116 LYS HE3 H 2.98 0.02 1 1290 116 LYS C C 178.75 0.05 1 1291 116 LYS CA C 59.73 0.3 1 1292 116 LYS CB C 32.82 0.3 1 1293 116 LYS CG C 25.24 0.3 1 1294 116 LYS CD C 29.34 0.3 1 1295 116 LYS N N 117.86 0.1 1 1296 117 HIS H H 8.26 0.02 1 1297 117 HIS HA H 4.56 0.02 1 1298 117 HIS HB2 H 3.45 0.02 2 1299 117 HIS HB3 H 3.54 0.02 2 1300 117 HIS HD2 H 7.11 0.02 1 1301 117 HIS HE1 H 7.95 0.02 1 1302 117 HIS C C 177.17 0.05 1 1303 117 HIS CA C 57.40 0.3 1 1304 117 HIS CB C 33.62 0.3 1 1305 117 HIS N N 118.03 0.1 1 1306 118 TRP H H 7.28 0.02 1 1307 118 TRP HA H 4.00 0.02 1 1308 118 TRP HB2 H 3.02 0.02 2 1309 118 TRP HB3 H 3.24 0.02 2 1310 118 TRP HD1 H 6.54 0.02 1 1311 118 TRP HE1 H 9.42 0.02 1 1312 118 TRP HE3 H 7.00 0.02 1 1313 118 TRP HZ2 H 7.25 0.02 1 1314 118 TRP HZ3 H 6.59 0.02 1 1315 118 TRP HH2 H 6.54 0.02 1 1316 118 TRP C C 178.02 0.05 1 1317 118 TRP CA C 60.06 0.3 1 1318 118 TRP CB C 30.88 0.3 1 1319 118 TRP N N 118.20 0.1 1 1320 118 TRP NE1 N 127.30 0.1 1 1321 119 TYR H H 8.80 0.02 1 1322 119 TYR HA H 4.08 0.02 1 1323 119 TYR HB2 H 3.08 0.02 1 1324 119 TYR HB3 H 3.08 0.02 1 1325 119 TYR HD1 H 7.11 0.02 1 1326 119 TYR HD2 H 7.11 0.02 1 1327 119 TYR HE1 H 6.86 0.02 1 1328 119 TYR HE2 H 6.86 0.02 1 1329 119 TYR C C 178.35 0.05 1 1330 119 TYR CA C 61.39 0.3 1 1331 119 TYR CB C 38.34 0.3 1 1332 119 TYR N N 117.00 0.1 1 1333 120 GLU H H 8.80 0.02 1 1334 120 GLU HA H 3.88 0.02 1 1335 120 GLU HB2 H 2.07 0.02 2 1336 120 GLU HB3 H 2.41 0.02 2 1337 120 GLU HG2 H 2.36 0.02 2 1338 120 GLU HG3 H 2.54 0.02 2 1339 120 GLU C C 179.37 0.05 1 1340 120 GLU CA C 59.82 0.3 1 1341 120 GLU CB C 29.77 0.3 1 1342 120 GLU CG C 37.19 0.3 1 1343 120 GLU N N 119.06 0.1 1 1344 121 CYS H H 7.63 0.02 1 1345 121 CYS HA H 4.13 0.02 1 1346 121 CYS HB2 H 2.62 0.02 1 1347 121 CYS HB3 H 2.62 0.02 1 1348 121 CYS C C 175.84 0.05 1 1349 121 CYS CA C 61.20 0.3 1 1350 121 CYS CB C 26.11 0.3 1 1351 121 CYS N N 119.75 0.1 1 1352 122 LEU H H 7.64 0.02 1 1353 122 LEU HA H 3.60 0.02 1 1354 122 LEU HB2 H 1.33 0.02 2 1355 122 LEU HB3 H 1.56 0.02 2 1356 122 LEU HG H 1.29 0.02 1 1357 122 LEU HD1 H 0.41 0.02 1 1358 122 LEU HD2 H 0.26 0.02 1 1359 122 LEU C C 179.99 0.05 1 1360 122 LEU CA C 57.68 0.3 1 1361 122 LEU CB C 41.43 0.3 1 1362 122 LEU CD1 C 24.68 0.3 1 1363 122 LEU CD2 C 23.21 0.3 1 1364 122 LEU N N 117.69 0.1 1 1365 123 LYS H H 8.05 0.02 1 1366 123 LYS HA H 4.10 0.02 1 1367 123 LYS HB2 H 1.62 0.02 2 1368 123 LYS HB3 H 1.75 0.02 2 1369 123 LYS HG2 H 1.25 0.02 2 1370 123 LYS HG3 H 1.32 0.02 2 1371 123 LYS HD2 H 1.53 0.02 1 1372 123 LYS HD3 H 1.53 0.02 1 1373 123 LYS HE2 H 2.82 0.02 2 1374 123 LYS HE3 H 2.89 0.02 2 1375 123 LYS C C 176.59 0.05 1 1376 123 LYS CA C 56.87 0.3 1 1377 123 LYS CB C 33.50 0.3 1 1378 123 LYS CG C 24.70 0.3 1 1379 123 LYS CD C 28.66 0.3 1 1380 123 LYS CE C 41.96 0.3 1 1381 123 LYS N N 116.49 0.1 1 1382 124 ASN H H 7.52 0.02 1 1383 124 ASN HA H 5.04 0.02 1 1384 124 ASN HB2 H 2.30 0.02 2 1385 124 ASN HB3 H 2.93 0.02 2 1386 124 ASN HD21 H 8.21 0.02 2 1387 124 ASN HD22 H 7.21 0.02 2 1388 124 ASN C C 173.28 0.05 1 1389 124 ASN CA C 51.72 0.3 1 1390 124 ASN CB C 40.34 0.3 1 1391 124 ASN N N 120.27 0.1 1 1392 124 ASN ND2 N 118.00 0.1 1 1393 125 LYS H H 8.12 0.02 1 1394 125 LYS HA H 4.21 0.02 1 1395 125 LYS HB2 H 1.69 0.02 1 1396 125 LYS HB3 H 1.69 0.02 1 1397 125 LYS HG2 H 1.03 0.02 2 1398 125 LYS HG3 H 1.34 0.02 2 1399 125 LYS HD2 H 1.14 0.02 2 1400 125 LYS HD3 H 1.29 0.02 2 1401 125 LYS C C 176.55 0.05 1 1402 125 LYS CA C 58.29 0.3 1 1403 125 LYS CB C 33.05 0.3 1 1404 125 LYS CG C 25.14 0.3 1 1405 125 LYS CD C 29.48 0.3 1 1406 125 LYS CE C 40.70 0.3 1 1407 125 LYS N N 120.61 0.1 1 1408 126 ASP H H 9.45 0.02 1 1409 126 ASP HA H 4.41 0.02 1 1410 126 ASP HB2 H 2.92 0.02 2 1411 126 ASP HB3 H 3.02 0.02 2 1412 126 ASP C C 174.19 0.05 1 1413 126 ASP CA C 57.33 0.3 1 1414 126 ASP CB C 38.85 0.3 1 1415 126 ASP N N 114.60 0.1 1 1416 127 LYS H H 7.74 0.02 1 1417 127 LYS HA H 4.60 0.02 1 1418 127 LYS HB2 H 1.66 0.02 2 1419 127 LYS HB3 H 1.71 0.02 2 1420 127 LYS HG2 H 1.23 0.02 2 1421 127 LYS HG3 H 1.38 0.02 2 1422 127 LYS HD2 H 1.60 0.02 1 1423 127 LYS HD3 H 1.60 0.02 1 1424 127 LYS HE2 H 2.97 0.02 1 1425 127 LYS HE3 H 2.97 0.02 1 1426 127 LYS C C 174.64 0.05 1 1427 127 LYS CA C 54.67 0.3 1 1428 127 LYS CB C 35.06 0.3 1 1429 127 LYS CG C 24.71 0.3 1 1430 127 LYS CD C 29.09 0.3 1 1431 127 LYS N N 118.72 0.1 1 1432 128 LYS H H 8.68 0.02 1 1433 128 LYS HA H 4.53 0.02 1 1434 128 LYS HB2 H 1.77 0.02 1 1435 128 LYS HB3 H 1.77 0.02 1 1436 128 LYS HG2 H 1.34 0.02 1 1437 128 LYS HG3 H 1.34 0.02 1 1438 128 LYS HD2 H 1.64 0.02 1 1439 128 LYS HD3 H 1.64 0.02 1 1440 128 LYS HE2 H 1.13 0.02 2 1441 128 LYS HE3 H 2.90 0.02 2 1442 128 LYS C C 176.33 0.05 1 1443 128 LYS CA C 56.23 0.3 1 1444 128 LYS CB C 32.70 0.3 1 1445 128 LYS CG C 25.42 0.3 1 1446 128 LYS CD C 29.41 0.3 1 1447 128 LYS CE C 41.44 0.3 1 1448 128 LYS N N 127.31 0.1 1 1449 129 ILE H H 9.21 0.02 1 1450 129 ILE HA H 4.47 0.02 1 1451 129 ILE HB H 2.08 0.02 1 1452 129 ILE HG12 H 1.37 0.02 2 1453 129 ILE HG13 H 1.52 0.02 2 1454 129 ILE HG2 H 0.95 0.02 1 1455 129 ILE HD1 H 0.80 0.02 1 1456 129 ILE C C 177.17 0.05 1 1457 129 ILE CA C 59.65 0.3 1 1458 129 ILE CB C 39.22 0.3 1 1459 129 ILE CG1 C 26.42 0.3 1 1460 129 ILE CG2 C 18.96 0.3 1 1461 129 ILE CD1 C 12.74 0.3 1 1462 129 ILE N N 128.68 0.1 1 1463 130 GLU H H 9.44 0.02 1 1464 130 GLU HA H 5.42 0.02 1 1465 130 GLU HB2 H 1.74 0.02 1 1466 130 GLU HB3 H 1.74 0.02 1 1467 130 GLU HG2 H 1.91 0.02 2 1468 130 GLU HG3 H 1.83 0.02 2 1469 130 GLU C C 175.62 0.05 1 1470 130 GLU CA C 54.84 0.3 1 1471 130 GLU CB C 32.02 0.3 1 1472 130 GLU CG C 36.31 0.3 1 1473 130 GLU N N 128.31 0.1 1 1474 131 ARG H H 8.52 0.02 1 1475 131 ARG HA H 4.36 0.02 1 1476 131 ARG HB2 H 0.84 0.02 2 1477 131 ARG HB3 H 1.21 0.02 2 1478 131 ARG HG2 H 0.72 0.02 2 1479 131 ARG HG3 H 0.99 0.02 2 1480 131 ARG HD2 H 2.86 0.02 2 1481 131 ARG HD3 H 3.21 0.02 2 1482 131 ARG C C 174.61 0.05 1 1483 131 ARG CA C 53.98 0.3 1 1484 131 ARG CB C 34.95 0.3 1 1485 131 ARG CG C 27.02 0.3 1 1486 131 ARG CD C 42.58 0.3 1 1487 131 ARG N N 123.36 0.1 1 1488 132 TRP H H 8.25 0.02 1 1489 132 TRP HA H 5.06 0.02 1 1490 132 TRP HB2 H 2.79 0.02 2 1491 132 TRP HB3 H 2.96 0.02 2 1492 132 TRP HD1 H 7.26 0.02 1 1493 132 TRP HE1 H 10.28 0.02 1 1494 132 TRP HE3 H 7.22 0.02 1 1495 132 TRP HZ2 H 7.47 0.02 1 1496 132 TRP HZ3 H 6.74 0.02 1 1497 132 TRP HH2 H 6.78 0.02 1 1498 132 TRP C C 176.79 0.05 1 1499 132 TRP CA C 56.37 0.3 1 1500 132 TRP CB C 30.95 0.3 1 1501 132 TRP N N 121.98 0.1 1 1502 132 TRP NE1 N 131.10 0.1 1 1503 133 HIS H H 9.53 0.02 1 1504 133 HIS HA H 5.09 0.02 1 1505 133 HIS HB2 H 2.70 0.02 2 1506 133 HIS HB3 H 3.07 0.02 2 1507 133 HIS HD2 H 6.70 0.02 1 1508 133 HIS HE1 H 7.72 0.02 1 1509 133 HIS C C 175.81 0.05 1 1510 133 HIS CA C 55.43 0.3 1 1511 133 HIS CB C 35.64 0.3 1 1512 133 HIS N N 119.23 0.1 1 1513 134 GLN H H 8.72 0.02 1 1514 134 GLN HA H 4.49 0.02 1 1515 134 GLN HB2 H 2.15 0.02 1 1516 134 GLN HB3 H 2.15 0.02 1 1517 134 GLN HG2 H 2.45 0.02 1 1518 134 GLN HG3 H 2.45 0.02 1 1519 134 GLN HE21 H 7.13 0.02 2 1520 134 GLN HE22 H 7.82 0.02 2 1521 134 GLN C C 176.12 0.05 1 1522 134 GLN CA C 55.80 0.3 1 1523 134 GLN CB C 29.91 0.3 1 1524 134 GLN CG C 33.91 0.3 1 1525 134 GLN N N 122.84 0.1 1 1526 134 GLN NE2 N 114.30 0.1 1 1527 135 LEU H H 8.64 0.02 1 1528 135 LEU HA H 4.29 0.02 1 1529 135 LEU HB2 H 0.68 0.02 2 1530 135 LEU HB3 H 1.54 0.02 2 1531 135 LEU HG H 1.35 0.02 1 1532 135 LEU HD1 H 0.46 0.02 1 1533 135 LEU HD2 H 0.47 0.02 1 1534 135 LEU C C 176.67 0.05 1 1535 135 LEU CA C 53.96 0.3 1 1536 135 LEU CB C 42.26 0.3 1 1537 135 LEU CD1 C 26.44 0.3 1 1538 135 LEU CD2 C 22.36 0.3 1 1539 135 LEU N N 124.90 0.1 1 1540 136 GLN H H 9.06 0.02 1 1541 136 GLN HA H 4.92 0.02 1 1542 136 GLN HB2 H 2.04 0.02 2 1543 136 GLN HB3 H 2.20 0.02 2 1544 136 GLN HG2 H 2.37 0.02 1 1545 136 GLN HG3 H 2.37 0.02 1 1546 136 GLN HE21 H 6.84 0.02 2 1547 136 GLN HE22 H 7.44 0.02 2 1548 136 GLN C C 176.00 0.05 1 1549 136 GLN CA C 53.62 0.3 1 1550 136 GLN CB C 32.16 0.3 1 1551 136 GLN CG C 33.47 0.3 1 1552 136 GLN N N 120.61 0.1 1 1553 136 GLN NE2 N 111.50 0.1 1 1554 137 ASN H H 9.18 0.02 1 1555 137 ASN HA H 4.89 0.02 1 1556 137 ASN HB2 H 2.56 0.02 2 1557 137 ASN HB3 H 3.04 0.02 2 1558 137 ASN HD21 H 7.52 0.02 2 1559 137 ASN HD22 H 6.77 0.02 2 1560 137 ASN C C 174.88 0.05 1 1561 137 ASN CA C 52.46 0.3 1 1562 137 ASN CB C 37.44 0.3 1 1563 137 ASN N N 120.95 0.1 1 1564 137 ASN ND2 N 110.50 0.1 1 1565 138 GLU H H 8.16 0.02 1 1566 138 GLU HA H 4.40 0.02 1 1567 138 GLU HB2 H 1.74 0.02 2 1568 138 GLU HB3 H 2.06 0.02 2 1569 138 GLU HG2 H 2.06 0.02 1 1570 138 GLU HG3 H 2.06 0.02 1 1571 138 GLU C C 175.89 0.05 1 1572 138 GLU CA C 55.56 0.3 1 1573 138 GLU CB C 30.36 0.3 1 1574 138 GLU CG C 35.86 0.3 1 1575 138 GLU N N 124.73 0.1 1 1576 139 ASN H H 8.21 0.02 1 1577 139 ASN HA H 4.38 0.02 1 1578 139 ASN HB2 H 2.37 0.02 2 1579 139 ASN HB3 H 2.56 0.02 2 1580 139 ASN HD21 H 7.34 0.02 2 1581 139 ASN HD22 H 6.72 0.02 2 1582 139 ASN C C 175.20 0.05 1 1583 139 ASN CA C 53.66 0.3 1 1584 139 ASN CB C 38.14 0.3 1 1585 139 ASN N N 119.23 0.1 1 1586 139 ASN ND2 N 112.70 0.1 1 1587 140 HIS H H 8.08 0.02 1 1588 140 HIS HA H 4.62 0.02 1 1589 140 HIS HB2 H 2.93 0.02 1 1590 140 HIS HB3 H 2.93 0.02 1 1591 140 HIS HD2 H 7.06 0.02 1 1592 140 HIS HE1 H 8.36 0.02 1 1593 140 HIS C C 174.22 0.05 1 1594 140 HIS CA C 55.43 0.3 1 1595 140 HIS CB C 29.52 0.3 1 1596 140 HIS N N 120.09 0.1 1 stop_ save_