data_17755 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments of human regenerating family I-alpha protein (Reg I-alpha) ; _BMRB_accession_number 17755 _BMRB_flat_file_name bmr17755.str _Entry_type original _Submission_date 2011-07-01 _Accession_date 2011-07-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ho Meng-Ru . . 2 Chen Chinpan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 741 "13C chemical shifts" 552 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-04 update BMRB 'update entry citation' 2011-10-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N resonance assignments for human regenerating family I protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21918816 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ho Meng-Ru . . 2 Chen Chinpan . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 135 _Page_last 137 _Year 2012 _Details . loop_ _Keyword 'Alzheimer disease' 'C-type lectin' lithostathine NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Reg I-alpha monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Reg I-alpha monomer' $Human_Reg_I-alpha stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Human_Reg_I-alpha _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Human_Reg_I-alpha _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; SCPEGTNAYRSYCYYFNEDR ETWVDADLYCQNMNSGNLVS VLTQAEGAFVASLIKESGTD DFNVWIGLHDPKKNRRWHWS SGSLVSYKSWGIGAPSSVNP GYCVSLTSSTGFQKWKDVPC EDKFSFVCKFKN ; loop_ _Residue_seq_code _Residue_label 1 SER 2 CYS 3 PRO 4 GLU 5 GLY 6 THR 7 ASN 8 ALA 9 TYR 10 ARG 11 SER 12 TYR 13 CYS 14 TYR 15 TYR 16 PHE 17 ASN 18 GLU 19 ASP 20 ARG 21 GLU 22 THR 23 TRP 24 VAL 25 ASP 26 ALA 27 ASP 28 LEU 29 TYR 30 CYS 31 GLN 32 ASN 33 MET 34 ASN 35 SER 36 GLY 37 ASN 38 LEU 39 VAL 40 SER 41 VAL 42 LEU 43 THR 44 GLN 45 ALA 46 GLU 47 GLY 48 ALA 49 PHE 50 VAL 51 ALA 52 SER 53 LEU 54 ILE 55 LYS 56 GLU 57 SER 58 GLY 59 THR 60 ASP 61 ASP 62 PHE 63 ASN 64 VAL 65 TRP 66 ILE 67 GLY 68 LEU 69 HIS 70 ASP 71 PRO 72 LYS 73 LYS 74 ASN 75 ARG 76 ARG 77 TRP 78 HIS 79 TRP 80 SER 81 SER 82 GLY 83 SER 84 LEU 85 VAL 86 SER 87 TYR 88 LYS 89 SER 90 TRP 91 GLY 92 ILE 93 GLY 94 ALA 95 PRO 96 SER 97 SER 98 VAL 99 ASN 100 PRO 101 GLY 102 TYR 103 CYS 104 VAL 105 SER 106 LEU 107 THR 108 SER 109 SER 110 THR 111 GLY 112 PHE 113 GLN 114 LYS 115 TRP 116 LYS 117 ASP 118 VAL 119 PRO 120 CYS 121 GLU 122 ASP 123 LYS 124 PHE 125 SER 126 PHE 127 VAL 128 CYS 129 LYS 130 PHE 131 LYS 132 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-12 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 1LIT "Human Lithostathine" 100.00 144 100.00 100.00 1.09e-92 PDB 1QDD "Crystal Structure Of Human Lithostathine To 1.3 A Resolution" 100.00 144 99.24 99.24 8.71e-92 DBJ BAF84670 "unnamed protein product [Homo sapiens]" 100.00 166 99.24 100.00 1.18e-92 DBJ BAI45866 "regenerating islet-derived 1 alpha [synthetic construct]" 100.00 166 100.00 100.00 2.80e-93 GB AAA36558 "islet regenerating protein [Homo sapiens]" 100.00 166 100.00 100.00 2.80e-93 GB AAA36559 "regenerating protein (reg) [Homo sapiens]" 100.00 166 99.24 99.24 1.07e-92 GB AAA60546 "pancreatic stone protein [Homo sapiens]" 100.00 166 100.00 100.00 1.89e-93 GB AAD51330 "lithostathine [Homo sapiens]" 100.00 166 100.00 100.00 2.80e-93 GB AAH05350 "Regenerating islet-derived 1 alpha [Homo sapiens]" 100.00 166 100.00 100.00 2.80e-93 PRF 1617122A "reg protein" 100.00 166 100.00 100.00 2.80e-93 REF NP_002900 "lithostathine-1-alpha precursor [Homo sapiens]" 100.00 166 100.00 100.00 2.80e-93 REF XP_001163554 "PREDICTED: lithostathine-1-alpha [Pan troglodytes]" 100.00 166 99.24 100.00 1.41e-92 REF XP_002811895 "PREDICTED: lithostathine-1-alpha [Pongo abelii]" 100.00 166 96.97 97.73 1.32e-88 REF XP_003282186 "PREDICTED: lithostathine-1-alpha isoform X2 [Nomascus leucogenys]" 100.00 166 96.97 99.24 1.22e-90 REF XP_003816658 "PREDICTED: lithostathine-1-alpha [Pan paniscus]" 100.00 166 99.24 100.00 1.41e-92 SP P05451 "RecName: Full=Lithostathine-1-alpha; AltName: Full=Islet cells regeneration factor; Short=ICRF; AltName: Full=Islet of Langerha" 100.00 166 100.00 100.00 2.80e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Human_Reg_I-alpha Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Human_Reg_I-alpha 'recombinant technology' . Escherichia coli . pQE1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Human_Reg_I-alpha . mM 0.5 1.0 '[U-100% 13C; U-100% 15N; U-80% 2H]' NaH2PO4 20 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' 'potassium chloride' 50 mM . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Reg I-alpha monomer' _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 1 SER HA H 4.4160 0.05 1 2 1 1 SER HB2 H 3.7510 0.05 2 3 1 1 SER HB3 H 3.8110 0.05 2 4 1 1 SER C C 174.5500 0.50 1 5 1 1 SER CA C 58.0010 0.50 1 6 1 1 SER CB C 63.5940 0.50 1 7 1 1 SER N N 116.7400 0.50 1 8 2 2 CYS H H 8.5260 0.05 1 9 2 2 CYS HA H 4.7890 0.05 1 10 2 2 CYS HB2 H 2.3150 0.05 2 11 2 2 CYS HB3 H 2.3940 0.05 2 12 2 2 CYS C C 172.9530 0.50 1 13 2 2 CYS CA C 51.7130 0.50 1 14 2 2 CYS CB C 35.4690 0.50 1 15 2 2 CYS N N 120.9970 0.50 1 16 3 3 PRO HA H 4.3890 0.05 1 17 3 3 PRO HB2 H 1.8570 0.05 2 18 3 3 PRO HB3 H 2.3140 0.05 2 19 3 3 PRO HG2 H 1.9850 0.05 2 20 3 3 PRO HG3 H 1.9810 0.05 2 21 3 3 PRO HD2 H 3.5130 0.05 2 22 3 3 PRO HD3 H 3.6610 0.05 2 23 3 3 PRO C C 176.5240 0.50 1 24 3 3 PRO CA C 62.2690 0.50 1 25 3 3 PRO CB C 31.4160 0.50 1 26 3 3 PRO CG C 26.2200 0.50 1 27 3 3 PRO CD C 49.2020 0.50 1 28 4 4 GLU H H 8.7250 0.05 1 29 4 4 GLU HA H 4.0670 0.05 1 30 4 4 GLU HB2 H 1.9470 0.05 2 31 4 4 GLU HB3 H 2.0120 0.05 2 32 4 4 GLU HG2 H 2.3920 0.05 2 33 4 4 GLU HG3 H 2.4210 0.05 2 34 4 4 GLU C C 176.6620 0.50 1 35 4 4 GLU CA C 57.7660 0.50 1 36 4 4 GLU CB C 27.6870 0.50 1 37 4 4 GLU CG C 33.5050 0.50 1 38 4 4 GLU N N 122.6340 0.50 1 39 5 5 GLY H H 8.9510 0.05 1 40 5 5 GLY HA2 H 3.7340 0.05 2 41 5 5 GLY HA3 H 4.3370 0.05 2 42 5 5 GLY C C 173.7260 0.50 1 43 5 5 GLY CA C 44.1530 0.50 1 44 5 5 GLY N N 112.6380 0.50 1 45 6 6 THR H H 8.0760 0.05 1 46 6 6 THR HA H 5.1760 0.05 1 47 6 6 THR HB H 4.1140 0.05 1 48 6 6 THR HG2 H 1.0680 0.05 1 49 6 6 THR C C 173.3650 0.50 1 50 6 6 THR CA C 60.5110 0.50 1 51 6 6 THR CB C 71.0590 0.50 1 52 6 6 THR CG2 C 21.6240 0.50 1 53 6 6 THR N N 110.6510 0.50 1 54 7 7 ASN H H 9.2330 0.05 1 55 7 7 ASN HA H 5.2760 0.05 1 56 7 7 ASN HB2 H 2.5640 0.05 2 57 7 7 ASN HB3 H 2.8940 0.05 2 58 7 7 ASN HD21 H 7.2370 0.05 2 59 7 7 ASN HD22 H 6.9800 0.05 2 60 7 7 ASN C C 174.1160 0.50 1 61 7 7 ASN CA C 52.9520 0.50 1 62 7 7 ASN CB C 42.1400 0.50 1 63 7 7 ASN N N 118.0750 0.50 1 64 7 7 ASN ND2 N 113.1410 0.50 1 65 8 8 ALA H H 8.7490 0.05 1 66 8 8 ALA HA H 5.1900 0.05 1 67 8 8 ALA HB H 1.3810 0.05 1 68 8 8 ALA C C 177.8730 0.50 1 69 8 8 ALA CA C 51.8760 0.50 1 70 8 8 ALA CB C 21.0730 0.50 1 71 8 8 ALA N N 125.9920 0.50 1 72 9 9 TYR H H 8.4520 0.05 1 73 9 9 TYR HA H 3.9280 0.05 1 74 9 9 TYR HB2 H 1.0860 0.05 2 75 9 9 TYR HB3 H 1.9900 0.05 2 76 9 9 TYR HD1 H 6.9650 0.05 3 77 9 9 TYR HD2 H 6.9650 0.05 3 78 9 9 TYR HE1 H 6.5300 0.05 3 79 9 9 TYR HE2 H 6.5300 0.05 3 80 9 9 TYR C C 174.1640 0.50 1 81 9 9 TYR CA C 59.4560 0.50 1 82 9 9 TYR CB C 37.7450 0.50 1 83 9 9 TYR CD1 C 130.2970 0.50 3 84 9 9 TYR CD2 C 130.2970 0.50 3 85 9 9 TYR CE1 C 114.8990 0.50 3 86 9 9 TYR CE2 C 114.8990 0.50 3 87 9 9 TYR N N 120.5030 0.50 1 88 10 10 ARG H H 8.6260 0.05 1 89 10 10 ARG HA H 3.4320 0.05 1 90 10 10 ARG HB2 H 1.2940 0.05 2 91 10 10 ARG HB3 H 1.5960 0.05 2 92 10 10 ARG HG2 H 1.7380 0.05 2 93 10 10 ARG HG3 H 1.8760 0.05 2 94 10 10 ARG HD2 H 3.0330 0.05 2 95 10 10 ARG HD3 H 3.0330 0.05 2 96 10 10 ARG C C 176.3530 0.50 1 97 10 10 ARG CA C 57.1130 0.50 1 98 10 10 ARG CB C 26.9310 0.50 1 99 10 10 ARG CG C 25.3530 0.50 1 100 10 10 ARG CD C 42.0910 0.50 1 101 10 10 ARG N N 125.8740 0.50 1 102 11 11 SER H H 8.1780 0.05 1 103 11 11 SER HA H 4.1210 0.05 1 104 11 11 SER HB2 H 3.7980 0.05 2 105 11 11 SER HB3 H 3.9490 0.05 2 106 11 11 SER C C 172.3520 0.50 1 107 11 11 SER CA C 60.2200 0.50 1 108 11 11 SER CB C 61.9960 0.50 1 109 11 11 SER N N 112.5890 0.50 1 110 12 12 TYR H H 8.0950 0.05 1 111 12 12 TYR HA H 4.5800 0.05 1 112 12 12 TYR HB2 H 3.0380 0.05 2 113 12 12 TYR HB3 H 3.1100 0.05 2 114 12 12 TYR HD1 H 6.9700 0.05 3 115 12 12 TYR HD2 H 6.9700 0.05 3 116 12 12 TYR HE1 H 6.7050 0.05 3 117 12 12 TYR HE2 H 6.7050 0.05 3 118 12 12 TYR C C 175.8120 0.50 1 119 12 12 TYR CA C 54.2260 0.50 1 120 12 12 TYR CB C 39.2390 0.50 1 121 12 12 TYR CD1 C 132.9130 0.50 3 122 12 12 TYR CD2 C 132.9130 0.50 3 123 12 12 TYR CE1 C 117.9680 0.50 3 124 12 12 TYR CE2 C 117.9680 0.50 3 125 12 12 TYR N N 119.2040 0.50 1 126 13 13 CYS H H 8.5760 0.05 1 127 13 13 CYS HA H 4.6670 0.05 1 128 13 13 CYS HB2 H 2.3130 0.05 2 129 13 13 CYS HB3 H 2.9450 0.05 2 130 13 13 CYS C C 174.2340 0.50 1 131 13 13 CYS CA C 56.9070 0.50 1 132 13 13 CYS CB C 41.7880 0.50 1 133 13 13 CYS N N 118.6740 0.50 1 134 14 14 TYR H H 8.8950 0.05 1 135 14 14 TYR HA H 5.2690 0.05 1 136 14 14 TYR HB2 H 0.5700 0.05 2 137 14 14 TYR HB3 H 2.2630 0.05 2 138 14 14 TYR HD1 H 6.7810 0.05 3 139 14 14 TYR HD2 H 6.7810 0.05 3 140 14 14 TYR HE1 H 7.0070 0.05 3 141 14 14 TYR HE2 H 7.0070 0.05 3 142 14 14 TYR C C 173.2880 0.50 1 143 14 14 TYR CA C 52.3360 0.50 1 144 14 14 TYR CB C 41.6130 0.50 1 145 14 14 TYR CD1 C 133.7250 0.50 3 146 14 14 TYR CD2 C 133.7250 0.50 3 147 14 14 TYR CE1 C 118.1030 0.50 3 148 14 14 TYR CE2 C 118.1030 0.50 3 149 14 14 TYR N N 118.6530 0.50 1 150 15 15 TYR H H 9.1600 0.05 1 151 15 15 TYR HA H 5.2410 0.05 1 152 15 15 TYR HB2 H 2.8300 0.05 2 153 15 15 TYR HB3 H 3.0240 0.05 2 154 15 15 TYR HD1 H 6.5040 0.05 3 155 15 15 TYR HD2 H 6.5040 0.05 3 156 15 15 TYR HE1 H 7.1470 0.05 3 157 15 15 TYR HE2 H 7.1470 0.05 3 158 15 15 TYR C C 172.4950 0.50 1 159 15 15 TYR CA C 55.7640 0.50 1 160 15 15 TYR CB C 41.5250 0.50 1 161 15 15 TYR CD1 C 131.5610 0.50 3 162 15 15 TYR CD2 C 131.5610 0.50 3 163 15 15 TYR CE1 C 117.9000 0.50 3 164 15 15 TYR CE2 C 117.9000 0.50 3 165 15 15 TYR N N 118.3580 0.50 1 166 16 16 PHE H H 8.8140 0.05 1 167 16 16 PHE HA H 4.8460 0.05 1 168 16 16 PHE HB2 H 2.4570 0.05 2 169 16 16 PHE HB3 H 2.7650 0.05 2 170 16 16 PHE HD1 H 6.8370 0.05 3 171 16 16 PHE HD2 H 6.8370 0.05 3 172 16 16 PHE HE1 H 6.9510 0.05 3 173 16 16 PHE HE2 H 6.9510 0.05 3 174 16 16 PHE C C 171.2530 0.50 1 175 16 16 PHE CA C 54.7170 0.50 1 176 16 16 PHE CB C 38.2940 0.50 1 177 16 16 PHE CD1 C 130.2080 0.50 3 178 16 16 PHE CD2 C 129.5320 0.50 3 179 16 16 PHE CE1 C 129.5320 0.50 3 180 16 16 PHE CE2 C 130.2080 0.50 3 181 16 16 PHE N N 127.5640 0.50 1 182 17 17 ASN H H 8.1990 0.05 1 183 17 17 ASN HA H 3.8850 0.05 1 184 17 17 ASN HB2 H 0.9140 0.05 2 185 17 17 ASN HB3 H 1.0860 0.05 2 186 17 17 ASN HD21 H 7.1940 0.05 2 187 17 17 ASN HD22 H 6.4870 0.05 2 188 17 17 ASN C C 172.6700 0.50 1 189 17 17 ASN CA C 53.7400 0.50 1 190 17 17 ASN CB C 39.3590 0.50 1 191 17 17 ASN N N 127.0950 0.50 1 192 17 17 ASN ND2 N 110.5710 0.50 1 193 18 18 GLU H H 7.6530 0.05 1 194 18 18 GLU HA H 3.6690 0.05 1 195 18 18 GLU HB2 H 1.6890 0.05 2 196 18 18 GLU HB3 H 1.9400 0.05 2 197 18 18 GLU HG2 H 2.3370 0.05 2 198 18 18 GLU HG3 H 2.3360 0.05 2 199 18 18 GLU C C 176.4780 0.50 1 200 18 18 GLU CA C 55.6930 0.50 1 201 18 18 GLU CB C 27.5530 0.50 1 202 18 18 GLU CG C 33.3310 0.50 1 203 18 18 GLU N N 120.1060 0.50 1 204 19 19 ASP H H 7.7540 0.05 1 205 19 19 ASP HA H 3.8920 0.05 1 206 19 19 ASP HB2 H 0.9140 0.05 2 207 19 19 ASP HB3 H 1.0860 0.05 2 208 19 19 ASP C C 173.3390 0.50 1 209 19 19 ASP CA C 53.8290 0.50 1 210 19 19 ASP CB C 39.3590 0.50 1 211 19 19 ASP N N 121.9300 0.50 1 212 20 20 ARG H H 7.6530 0.05 1 213 20 20 ARG HA H 4.0850 0.05 1 214 20 20 ARG HB2 H 1.1650 0.05 2 215 20 20 ARG HB3 H 1.6600 0.05 2 216 20 20 ARG HG2 H 1.5460 0.05 2 217 20 20 ARG HG3 H 1.5490 0.05 2 218 20 20 ARG HD2 H 2.9670 0.05 2 219 20 20 ARG HD3 H 3.0060 0.05 2 220 20 20 ARG C C 176.5850 0.50 1 221 20 20 ARG CA C 55.9590 0.50 1 222 20 20 ARG CB C 28.2630 0.50 1 223 20 20 ARG CG C 26.5670 0.50 1 224 20 20 ARG CD C 42.6980 0.50 1 225 20 20 ARG N N 120.1060 0.50 1 226 21 21 GLU H H 8.6470 0.05 1 227 21 21 GLU HA H 4.8460 0.05 1 228 21 21 GLU HB2 H 1.4810 0.05 2 229 21 21 GLU HB3 H 2.2490 0.05 2 230 21 21 GLU HG2 H 2.4520 0.05 2 231 21 21 GLU HG3 H 2.4670 0.05 2 232 21 21 GLU C C 176.2250 0.50 1 233 21 21 GLU CA C 53.5670 0.50 1 234 21 21 GLU CB C 32.9980 0.50 1 235 21 21 GLU CG C 35.2040 0.50 1 236 21 21 GLU N N 122.8390 0.50 1 237 22 22 THR H H 9.0730 0.05 1 238 22 22 THR HA H 5.4840 0.05 1 239 22 22 THR HB H 4.7410 0.05 1 240 22 22 THR HG2 H -0.0550 0.05 1 241 22 22 THR C C 173.8030 0.50 1 242 22 22 THR CA C 61.6410 0.50 1 243 22 22 THR CB C 70.0740 0.50 1 244 22 22 THR CG2 C 21.0170 0.50 1 245 22 22 THR N N 114.3570 0.50 1 246 23 23 TRP H H 7.4900 0.05 1 247 23 23 TRP HA H 2.8370 0.05 1 248 23 23 TRP HB2 H 1.4520 0.05 2 249 23 23 TRP HB3 H 2.3420 0.05 2 250 23 23 TRP HD1 H 7.0700 0.05 1 251 23 23 TRP HE1 H 10.6850 0.05 1 252 23 23 TRP C C 177.3110 0.50 1 253 23 23 TRP CA C 62.9720 0.50 1 254 23 23 TRP CB C 29.5950 0.50 1 255 23 23 TRP CD1 C 127.0000 0.50 1 256 23 23 TRP N N 120.5990 0.50 1 257 23 23 TRP NE1 N 130.2900 0.50 1 258 24 24 VAL H H 8.5280 0.05 1 259 24 24 VAL HA H 3.3970 0.05 1 260 24 24 VAL HB H 1.9830 0.05 1 261 24 24 VAL HG1 H 0.9210 0.05 2 262 24 24 VAL HG2 H 1.1190 0.05 2 263 24 24 VAL C C 177.8120 0.50 1 264 24 24 VAL CA C 65.2800 0.50 1 265 24 24 VAL CB C 30.7490 0.50 1 266 24 24 VAL CG1 C 21.4500 0.50 2 267 24 24 VAL CG2 C 19.3690 0.50 2 268 24 24 VAL N N 113.6080 0.50 1 269 25 25 ASP H H 7.0010 0.05 1 270 25 25 ASP HA H 4.2580 0.05 1 271 25 25 ASP HB2 H 2.5720 0.05 2 272 25 25 ASP HB3 H 2.7440 0.05 2 273 25 25 ASP C C 178.2380 0.50 1 274 25 25 ASP CA C 56.2260 0.50 1 275 25 25 ASP CB C 38.2050 0.50 1 276 25 25 ASP N N 120.9360 0.50 1 277 26 26 ALA H H 8.4160 0.05 1 278 26 26 ALA HA H 2.8800 0.05 1 279 26 26 ALA HB H 0.3190 0.05 1 280 26 26 ALA C C 177.7980 0.50 1 281 26 26 ALA CA C 53.9180 0.50 1 282 26 26 ALA CB C 16.7980 0.50 1 283 26 26 ALA N N 125.7190 0.50 1 284 27 27 ASP H H 7.6740 0.05 1 285 27 27 ASP HA H 3.7480 0.05 1 286 27 27 ASP HB2 H 1.3160 0.05 2 287 27 27 ASP HB3 H 1.9550 0.05 2 288 27 27 ASP C C 179.0300 0.50 1 289 27 27 ASP CA C 58.5340 0.50 1 290 27 27 ASP CB C 40.3360 0.50 1 291 27 27 ASP N N 116.1840 0.50 1 292 28 28 LEU H H 7.8460 0.05 1 293 28 28 LEU HA H 4.3940 0.05 1 294 28 28 LEU HB2 H 0.9860 0.05 2 295 28 28 LEU HB3 H 1.5380 0.05 2 296 28 28 LEU HG H 1.6630 0.05 1 297 28 28 LEU HD1 H 0.4870 0.05 2 298 28 28 LEU HD2 H 0.5280 0.05 2 299 28 28 LEU C C 179.3820 0.50 1 300 28 28 LEU CA C 57.6460 0.50 1 301 28 28 LEU CB C 40.3360 0.50 1 302 28 28 LEU CG C 22.8070 0.50 1 303 28 28 LEU CD1 C 20.0210 0.50 2 304 28 28 LEU CD2 C 20.0210 0.50 2 305 28 28 LEU N N 117.7960 0.50 1 306 29 29 TYR H H 8.0810 0.05 1 307 29 29 TYR HA H 3.8700 0.05 1 308 29 29 TYR HB2 H 3.0090 0.05 2 309 29 29 TYR HB3 H 3.5040 0.05 2 310 29 29 TYR HD1 H 7.2340 0.05 3 311 29 29 TYR HD2 H 7.2340 0.05 3 312 29 29 TYR HE1 H 7.1640 0.05 3 313 29 29 TYR HE2 H 7.1640 0.05 3 314 29 29 TYR C C 179.9760 0.50 1 315 29 29 TYR CA C 61.7290 0.50 1 316 29 29 TYR CB C 36.3410 0.50 1 317 29 29 TYR CD1 C 132.0160 0.50 3 318 29 29 TYR CD2 C 132.0160 0.50 3 319 29 29 TYR CE1 C 118.1070 0.50 3 320 29 29 TYR CE2 C 118.1070 0.50 3 321 29 29 TYR N N 122.2060 0.50 1 322 30 30 CYS H H 8.4490 0.05 1 323 30 30 CYS HA H 4.4870 0.05 1 324 30 30 CYS HB2 H 2.6790 0.05 2 325 30 30 CYS HB3 H 2.7650 0.05 2 326 30 30 CYS C C 178.3700 0.50 1 327 30 30 CYS CA C 54.5390 0.50 1 328 30 30 CYS CB C 32.9680 0.50 1 329 30 30 CYS N N 116.8380 0.50 1 330 31 31 GLN H H 8.3550 0.05 1 331 31 31 GLN HA H 4.2720 0.05 1 332 31 31 GLN HB2 H 1.9900 0.05 2 333 31 31 GLN HB3 H 2.0190 0.05 2 334 31 31 GLN HG2 H 2.3340 0.05 2 335 31 31 GLN HG3 H 2.4070 0.05 1 336 31 31 GLN HE21 H 7.3720 0.05 2 337 31 31 GLN HE22 H 6.6850 0.05 2 338 31 31 GLN C C 177.9960 0.50 1 339 31 31 GLN CA C 58.1790 0.50 1 340 31 31 GLN CB C 27.9970 0.50 1 341 31 31 GLN CG C 33.1580 0.50 1 342 31 31 GLN N N 122.1610 0.50 1 343 31 31 GLN NE2 N 111.0180 0.50 1 344 32 32 ASN H H 7.5570 0.05 1 345 32 32 ASN HA H 4.4510 0.05 1 346 32 32 ASN HB2 H 2.5210 0.05 2 347 32 32 ASN HB3 H 2.6220 0.05 2 348 32 32 ASN HD21 H 6.7000 0.05 2 349 32 32 ASN HD22 H 7.2850 0.05 2 350 32 32 ASN C C 174.4980 0.50 1 351 32 32 ASN CA C 53.8290 0.50 1 352 32 32 ASN CB C 38.2940 0.50 1 353 32 32 ASN N N 115.8970 0.50 1 354 32 32 ASN ND2 N 113.3250 0.50 1 355 33 33 MET H H 7.3990 0.05 1 356 33 33 MET HA H 3.7480 0.05 1 357 33 33 MET HB2 H 1.3160 0.05 2 358 33 33 MET HB3 H 1.9550 0.05 2 359 33 33 MET HG2 H 2.4520 0.05 2 360 33 33 MET HG3 H 2.2680 0.05 2 361 33 33 MET HE H 1.9080 0.05 1 362 33 33 MET C C 173.7940 0.50 1 363 33 33 MET CA C 53.9180 0.50 1 364 33 33 MET CB C 30.7490 0.50 1 365 33 33 MET N N 120.3810 0.50 1 366 34 34 ASN H H 7.8770 0.05 1 367 34 34 ASN HA H 4.0710 0.05 1 368 34 34 ASN HB2 H 1.7180 0.05 2 369 34 34 ASN HB3 H 2.4850 0.05 2 370 34 34 ASN HD21 H 6.2610 0.05 2 371 34 34 ASN HD22 H 4.8890 0.05 2 372 34 34 ASN C C 173.8820 0.50 1 373 34 34 ASN CA C 53.6510 0.50 1 374 34 34 ASN CB C 36.9630 0.50 1 375 34 34 ASN N N 117.9780 0.50 1 376 34 34 ASN ND2 N 112.3370 0.50 1 377 35 35 SER H H 7.8430 0.05 1 378 35 35 SER HA H 4.2720 0.05 1 379 35 35 SER HB2 H 3.8700 0.05 2 380 35 35 SER HB3 H 4.0930 0.05 2 381 35 35 SER C C 175.1140 0.50 1 382 35 35 SER CA C 58.0900 0.50 1 383 35 35 SER CB C 61.0190 0.50 1 384 35 35 SER N N 108.6310 0.50 1 385 36 36 GLY H H 7.0270 0.05 1 386 36 36 GLY HA2 H 3.9630 0.05 2 387 36 36 GLY HA3 H 4.6020 0.05 2 388 36 36 GLY C C 171.6160 0.50 1 389 36 36 GLY CA C 43.7090 0.50 1 390 36 36 GLY N N 106.6450 0.50 1 391 37 37 ASN H H 7.8670 0.05 1 392 37 37 ASN HA H 4.5950 0.05 1 393 37 37 ASN HB2 H 2.1410 0.05 2 394 37 37 ASN HB3 H 2.1840 0.05 2 395 37 37 ASN HD21 H 7.4230 0.05 2 396 37 37 ASN HD22 H 6.7910 0.05 2 397 37 37 ASN C C 175.1580 0.50 1 398 37 37 ASN CA C 53.7430 0.50 1 399 37 37 ASN CB C 45.5680 0.50 1 400 37 37 ASN N N 112.4020 0.50 1 401 37 37 ASN ND2 N 111.6340 0.50 1 402 38 38 LEU H H 8.9670 0.05 1 403 38 38 LEU HA H 4.8530 0.05 1 404 38 38 LEU HB2 H 1.6100 0.05 2 405 38 38 LEU HB3 H 1.6460 0.05 2 406 38 38 LEU HG H 1.5460 0.05 1 407 38 38 LEU HD1 H 0.8110 0.05 2 408 38 38 LEU HD2 H 0.8030 0.05 2 409 38 38 LEU C C 179.4260 0.50 1 410 38 38 LEU CA C 56.3800 0.50 1 411 38 38 LEU CB C 43.1950 0.50 1 412 38 38 LEU CG C 28.3880 0.50 1 413 38 38 LEU CD1 C 23.8780 0.50 2 414 38 38 LEU CD2 C 23.8780 0.50 2 415 38 38 LEU N N 121.2500 0.50 1 416 39 39 VAL H H 8.7560 0.05 1 417 39 39 VAL HA H 3.7120 0.05 1 418 39 39 VAL HB H 1.9190 0.05 1 419 39 39 VAL HG1 H 0.8670 0.05 2 420 39 39 VAL HG2 H 0.8330 0.05 2 421 39 39 VAL C C 171.3300 0.50 1 422 39 39 VAL CA C 62.3510 0.50 1 423 39 39 VAL CB C 31.7250 0.50 1 424 39 39 VAL CG1 C 21.9710 0.50 2 425 39 39 VAL CG2 C 19.8890 0.50 2 426 39 39 VAL N N 120.3100 0.50 1 427 40 40 SER H H 6.2470 0.05 1 428 40 40 SER HA H 3.7410 0.05 1 429 40 40 SER HB2 H 3.1600 0.05 2 430 40 40 SER HB3 H 3.2170 0.05 2 431 40 40 SER C C 174.0140 0.50 1 432 40 40 SER CA C 62.1630 0.50 1 433 40 40 SER CB C 63.5940 0.50 1 434 40 40 SER N N 120.6670 0.50 1 435 41 41 VAL H H 4.8150 0.05 1 436 41 41 VAL HA H 4.5660 0.05 1 437 41 41 VAL HB H 2.4070 0.05 1 438 41 41 VAL HG1 H 0.8500 0.05 2 439 41 41 VAL HG2 H 0.8500 0.05 2 440 41 41 VAL C C 174.4980 0.50 1 441 41 41 VAL CA C 61.3020 0.50 1 442 41 41 VAL CB C 31.1520 0.50 1 443 41 41 VAL CG1 C 20.8860 0.50 2 444 41 41 VAL CG2 C 18.5320 0.50 2 445 41 41 VAL N N 120.8380 0.50 1 446 42 42 LEU H H 8.7610 0.05 1 447 42 42 LEU HA H 4.5880 0.05 1 448 42 42 LEU HB2 H 1.6390 0.05 2 449 42 42 LEU HB3 H 1.7110 0.05 2 450 42 42 LEU HG H 1.4020 0.05 1 451 42 42 LEU HD1 H 0.7480 0.05 2 452 42 42 LEU HD2 H 0.7310 0.05 2 453 42 42 LEU C C 177.4460 0.50 1 454 42 42 LEU CA C 54.5390 0.50 1 455 42 42 LEU CB C 40.6910 0.50 1 456 42 42 LEU CG C 26.0470 0.50 1 457 42 42 LEU CD1 C 20.5830 0.50 2 458 42 42 LEU CD2 C 23.3580 0.50 2 459 42 42 LEU N N 123.1290 0.50 1 460 43 43 THR H H 7.2230 0.05 1 461 43 43 THR HA H 4.3800 0.05 1 462 43 43 THR HB H 4.0350 0.05 1 463 43 43 THR C C 175.6580 0.50 1 464 43 43 THR CA C 58.0900 0.50 1 465 43 43 THR CB C 73.4470 0.50 1 466 43 43 THR CG2 C 21.0170 0.50 1 467 43 43 THR N N 106.1620 0.50 1 468 44 44 GLN H H 8.4250 0.05 1 469 44 44 GLN HA H 3.5040 0.05 1 470 44 44 GLN HB2 H 1.9110 0.05 2 471 44 44 GLN HB3 H 1.9470 0.05 2 472 44 44 GLN HG2 H 2.3780 0.05 2 473 44 44 GLN HG3 H 2.4460 0.05 2 474 44 44 GLN HE21 H 7.1600 0.05 2 475 44 44 GLN HE22 H 6.5350 0.05 2 476 44 44 GLN C C 178.8540 0.50 1 477 44 44 GLN CA C 58.3560 0.50 1 478 44 44 GLN CB C 26.9310 0.50 1 479 44 44 GLN CG C 32.5510 0.50 1 480 44 44 GLN N N 122.2100 0.50 1 481 44 44 GLN NE2 N 112.8690 0.50 1 482 45 45 ALA H H 8.2640 0.05 1 483 45 45 ALA HA H 3.9990 0.05 1 484 45 45 ALA HB H 1.3590 0.05 1 485 45 45 ALA C C 180.6140 0.50 1 486 45 45 ALA CA C 54.4500 0.50 1 487 45 45 ALA CB C 17.0780 0.50 1 488 45 45 ALA N N 122.2130 0.50 1 489 46 46 GLU H H 8.1410 0.05 1 490 46 46 GLU HA H 3.5760 0.05 1 491 46 46 GLU HB2 H 1.9690 0.05 2 492 46 46 GLU HB3 H 2.1910 0.05 2 493 46 46 GLU HG2 H 2.4470 0.05 2 494 46 46 GLU HG3 H 2.4340 0.05 2 495 46 46 GLU C C 178.5460 0.50 1 496 46 46 GLU CA C 58.5340 0.50 1 497 46 46 GLU CB C 28.7070 0.50 1 498 46 46 GLU CG C 34.9790 0.50 1 499 46 46 GLU N N 122.6900 0.50 1 500 47 47 GLY H H 8.1150 0.05 1 501 47 47 GLY HA2 H 3.6330 0.05 2 502 47 47 GLY HA3 H 3.9130 0.05 2 503 47 47 GLY C C 176.8300 0.50 1 504 47 47 GLY CA C 47.1710 0.50 1 505 47 47 GLY N N 107.2430 0.50 1 506 48 48 ALA H H 8.2440 0.05 1 507 48 48 ALA HA H 4.0060 0.05 1 508 48 48 ALA HB H 1.3880 0.05 1 509 48 48 ALA C C 180.0860 0.50 1 510 48 48 ALA CA C 54.2730 0.50 1 511 48 48 ALA CB C 16.6340 0.50 1 512 48 48 ALA N N 126.0820 0.50 1 513 49 49 PHE H H 7.6990 0.05 1 514 49 49 PHE HA H 3.8270 0.05 1 515 49 49 PHE HB2 H 2.2410 0.05 2 516 49 49 PHE HB3 H 2.2990 0.05 2 517 49 49 PHE C C 177.7540 0.50 1 518 49 49 PHE CA C 61.2860 0.50 1 519 49 49 PHE CB C 36.8740 0.50 1 520 49 49 PHE N N 121.6880 0.50 1 521 50 50 VAL H H 8.3280 0.05 1 522 50 50 VAL HA H 2.7940 0.05 1 523 50 50 VAL HB H 2.0620 0.05 1 524 50 50 VAL HG1 H 0.9370 0.05 2 525 50 50 VAL HG2 H 0.9750 0.05 2 526 50 50 VAL C C 176.7200 0.50 1 527 50 50 VAL CA C 66.1680 0.50 1 528 50 50 VAL CB C 30.4820 0.50 1 529 50 50 VAL CG1 C 23.6180 0.50 2 530 50 50 VAL CG2 C 20.9300 0.50 2 531 50 50 VAL N N 120.6080 0.50 1 532 51 51 ALA H H 7.7950 0.05 1 533 51 51 ALA HA H 3.7770 0.05 1 534 51 51 ALA HB H 1.4380 0.05 1 535 51 51 ALA C C 179.4920 0.50 1 536 51 51 ALA CA C 55.0720 0.50 1 537 51 51 ALA CB C 17.5220 0.50 1 538 51 51 ALA N N 119.8470 0.50 1 539 52 52 SER H H 7.5900 0.05 1 540 52 52 SER HA H 3.8990 0.05 1 541 52 52 SER HB2 H 3.6980 0.05 2 542 52 52 SER HB3 H 3.7270 0.05 2 543 52 52 SER C C 175.6200 0.50 1 544 52 52 SER CA C 60.8420 0.50 1 545 52 52 SER CB C 62.0850 0.50 1 546 52 52 SER N N 112.9160 0.50 1 547 53 53 LEU H H 7.4490 0.05 1 548 53 53 LEU HA H 3.5980 0.05 1 549 53 53 LEU HB2 H 0.8500 0.05 2 550 53 53 LEU HB3 H 1.4590 0.05 2 551 53 53 LEU HG H 1.5160 0.05 1 552 53 53 LEU HD1 H 0.6270 0.05 2 553 53 53 LEU HD2 H 0.6270 0.05 2 554 53 53 LEU C C 179.2720 0.50 1 555 53 53 LEU CA C 57.1130 0.50 1 556 53 53 LEU CB C 40.5130 0.50 1 557 53 53 LEU CG C 24.5720 0.50 1 558 53 53 LEU CD1 C 23.6180 0.50 2 559 53 53 LEU CD2 C 23.6180 0.50 2 560 53 53 LEU N N 124.1250 0.50 1 561 54 54 ILE H H 7.3280 0.05 1 562 54 54 ILE HA H 2.4140 0.05 1 563 54 54 ILE HB H 0.8350 0.05 1 564 54 54 ILE HG12 H 1.2110 0.05 2 565 54 54 ILE HG13 H 1.2220 0.05 2 566 54 54 ILE HG2 H 0.4380 0.05 1 567 54 54 ILE HD1 H 0.7370 0.05 1 568 54 54 ILE C C 180.0200 0.50 1 569 54 54 ILE CA C 64.0370 0.50 1 570 54 54 ILE CB C 37.0510 0.50 1 571 54 54 ILE CG1 C 26.3940 0.50 1 572 54 54 ILE CG2 C 15.3940 0.50 1 573 54 54 ILE CD1 C 11.5690 0.50 1 574 54 54 ILE N N 118.7730 0.50 1 575 55 55 LYS H H 8.2240 0.05 1 576 55 55 LYS HA H 3.8510 0.05 1 577 55 55 LYS HB2 H 1.7460 0.05 2 578 55 55 LYS HB3 H 1.7750 0.05 2 579 55 55 LYS HG2 H 1.2140 0.05 2 580 55 55 LYS HG3 H 1.2710 0.05 2 581 55 55 LYS HD2 H 1.8940 0.05 2 582 55 55 LYS HD3 H 1.8940 0.05 2 583 55 55 LYS HE2 H 2.9050 0.05 2 584 55 55 LYS HE3 H 2.9050 0.05 2 585 55 55 LYS C C 180.3940 0.50 1 586 55 55 LYS CA C 59.5990 0.50 1 587 55 55 LYS CB C 30.6600 0.50 1 588 55 55 LYS CG C 23.9650 0.50 1 589 55 55 LYS CD C 27.5210 0.50 1 590 55 55 LYS CE C 40.5300 0.50 1 591 55 55 LYS N N 120.6480 0.50 1 592 56 56 GLU H H 8.1560 0.05 1 593 56 56 GLU HA H 3.9710 0.05 1 594 56 56 GLU HB2 H 1.9900 0.05 2 595 56 56 GLU HB3 H 2.0260 0.05 2 596 56 56 GLU HG2 H 2.4460 0.05 2 597 56 56 GLU HG3 H 2.4800 0.05 2 598 56 56 GLU C C 177.2920 0.50 1 599 56 56 GLU CA C 57.3800 0.50 1 600 56 56 GLU CB C 26.7540 0.50 1 601 56 56 GLU CG C 32.8980 0.50 1 602 56 56 GLU N N 117.6750 0.50 1 603 57 57 SER H H 7.2280 0.05 1 604 57 57 SER HA H 4.1640 0.05 1 605 57 57 SER HB2 H 3.7700 0.05 2 606 57 57 SER HB3 H 3.9350 0.05 2 607 57 57 SER C C 176.2580 0.50 1 608 57 57 SER CA C 60.2200 0.50 1 609 57 57 SER CB C 64.1260 0.50 1 610 57 57 SER N N 113.9000 0.50 1 611 58 58 GLY H H 7.5700 0.05 1 612 58 58 GLY HA2 H 3.7480 0.05 2 613 58 58 GLY HA3 H 4.0140 0.05 2 614 58 58 GLY C C 174.2780 0.50 1 615 58 58 GLY CA C 45.0410 0.50 1 616 58 58 GLY N N 108.9240 0.50 1 617 59 59 THR H H 7.5950 0.05 1 618 59 59 THR HA H 4.5300 0.05 1 619 59 59 THR HB H 3.8770 0.05 1 620 59 59 THR HG2 H 1.1070 0.05 1 621 59 59 THR C C 173.4940 0.50 1 622 59 59 THR CA C 61.9070 0.50 1 623 59 59 THR CB C 67.7660 0.50 1 624 59 59 THR CG2 C 18.6750 0.50 1 625 59 59 THR N N 113.9450 0.50 1 626 60 60 ASP H H 8.3990 0.05 1 627 60 60 ASP HA H 4.5520 0.05 1 628 60 60 ASP HB2 H 3.1020 0.05 2 629 60 60 ASP HB3 H 3.1530 0.05 2 630 60 60 ASP C C 175.6840 0.50 1 631 60 60 ASP CA C 52.4600 0.50 1 632 60 60 ASP CB C 38.7570 0.50 1 633 60 60 ASP N N 124.7110 0.50 1 634 61 61 ASP H H 8.4660 0.05 1 635 61 61 ASP HA H 4.1710 0.05 1 636 61 61 ASP HB2 H 2.4640 0.05 2 637 61 61 ASP HB3 H 2.5500 0.05 2 638 61 61 ASP C C 175.2900 0.50 1 639 61 61 ASP CA C 55.0720 0.50 1 640 61 61 ASP CB C 39.8030 0.50 1 641 61 61 ASP N N 122.6810 0.50 1 642 62 62 PHE H H 8.3790 0.05 1 643 62 62 PHE HA H 4.8600 0.05 1 644 62 62 PHE HB2 H 2.9590 0.05 2 645 62 62 PHE HB3 H 3.1310 0.05 2 646 62 62 PHE HD1 H 7.1400 0.05 3 647 62 62 PHE HD2 H 7.1400 0.05 3 648 62 62 PHE HE1 H 7.1580 0.05 3 649 62 62 PHE HE2 H 7.1580 0.05 3 650 62 62 PHE C C 176.4560 0.50 1 651 62 62 PHE CA C 57.1130 0.50 1 652 62 62 PHE CB C 38.9150 0.50 1 653 62 62 PHE CD1 C 132.5290 0.50 3 654 62 62 PHE CD2 C 132.5290 0.50 3 655 62 62 PHE CE1 C 131.3430 0.50 3 656 62 62 PHE CE2 C 131.3430 0.50 3 657 62 62 PHE N N 117.8360 0.50 1 658 63 63 ASN H H 7.3110 0.05 1 659 63 63 ASN HA H 5.6350 0.05 1 660 63 63 ASN HB2 H 0.3470 0.05 2 661 63 63 ASN HB3 H 0.9720 0.05 2 662 63 63 ASN HD21 H 6.6440 0.05 2 663 63 63 ASN HD22 H 6.5820 0.05 2 664 63 63 ASN C C 172.9360 0.50 1 665 63 63 ASN CA C 51.7870 0.50 1 666 63 63 ASN CB C 39.4480 0.50 1 667 63 63 ASN N N 114.6210 0.50 1 668 63 63 ASN ND2 N 110.8360 0.50 1 669 64 64 VAL H H 7.8230 0.05 1 670 64 64 VAL HA H 4.3080 0.05 1 671 64 64 VAL HB H 1.4950 0.05 1 672 64 64 VAL HG1 H 0.8450 0.05 2 673 64 64 VAL HG2 H 0.8450 0.05 2 674 64 64 VAL C C 176.2580 0.50 1 675 64 64 VAL CA C 60.2470 0.50 1 676 64 64 VAL CB C 36.5140 0.50 1 677 64 64 VAL CG1 C 19.8020 0.50 2 678 64 64 VAL CG2 C 19.0220 0.50 2 679 64 64 VAL N N 119.1790 0.50 1 680 65 65 TRP H H 9.8520 0.05 1 681 65 65 TRP HA H 5.4630 0.05 1 682 65 65 TRP HB2 H 3.4180 0.05 2 683 65 65 TRP HB3 H 3.5110 0.05 2 684 65 65 TRP HD1 H 7.0160 0.05 1 685 65 65 TRP HE1 H 9.8100 0.05 1 686 65 65 TRP HE3 H 7.2740 0.05 1 687 65 65 TRP C C 176.6320 0.50 1 688 65 65 TRP CA C 58.7110 0.50 1 689 65 65 TRP CB C 32.3460 0.50 1 690 65 65 TRP CD1 C 126.6480 0.50 1 691 65 65 TRP CE3 C 120.0610 0.50 1 692 65 65 TRP N N 126.5030 0.50 1 693 65 65 TRP NE1 N 126.7290 0.50 1 694 66 66 ILE H H 8.2200 0.05 1 695 66 66 ILE HA H 4.9460 0.05 1 696 66 66 ILE HB H 2.2200 0.05 1 697 66 66 ILE HG12 H 0.7860 0.05 2 698 66 66 ILE HG13 H 0.8380 0.05 2 699 66 66 ILE HG2 H 0.1620 0.05 1 700 66 66 ILE HD1 H -0.9130 0.05 1 701 66 66 ILE C C 176.8520 0.50 1 702 66 66 ILE CA C 59.7200 0.50 1 703 66 66 ILE CB C 40.2060 0.50 1 704 66 66 ILE CG1 C 24.4860 0.50 1 705 66 66 ILE CG2 C 16.7670 0.50 1 706 66 66 ILE CD1 C 11.0430 0.50 1 707 66 66 ILE N N 107.0910 0.50 1 708 67 67 GLY H H 9.2900 0.05 1 709 67 67 GLY HA2 H 4.2430 0.05 2 710 67 67 GLY HA3 H 4.3800 0.05 2 711 67 67 GLY C C 172.7600 0.50 1 712 67 67 GLY CA C 48.3250 0.50 1 713 67 67 GLY N N 105.5180 0.50 1 714 68 68 LEU H H 6.8050 0.05 1 715 68 68 LEU HA H 4.6950 0.05 1 716 68 68 LEU HB2 H 0.9290 0.05 2 717 68 68 LEU HB3 H 0.9640 0.05 2 718 68 68 LEU HG H 1.6540 0.05 1 719 68 68 LEU HD1 H -0.7690 0.05 2 720 68 68 LEU HD2 H -0.3350 0.05 2 721 68 68 LEU C C 174.7620 0.50 1 722 68 68 LEU CA C 53.3850 0.50 1 723 68 68 LEU CB C 40.5130 0.50 1 724 68 68 LEU CG C 25.1790 0.50 1 725 68 68 LEU CD1 C 19.1950 0.50 2 726 68 68 LEU CD2 C 20.5830 0.50 2 727 68 68 LEU N N 125.9050 0.50 1 728 69 69 HIS H H 8.9670 0.05 1 729 69 69 HIS HA H 4.3290 0.05 1 730 69 69 HIS HB2 H 2.9660 0.05 2 731 69 69 HIS HB3 H 2.9880 0.05 2 732 69 69 HIS HD2 H 6.9100 0.05 1 733 69 69 HIS C C 171.4180 0.50 1 734 69 69 HIS CA C 53.4540 0.50 1 735 69 69 HIS CB C 30.0380 0.50 1 736 69 69 HIS CD2 C 117.9490 0.50 1 737 69 69 HIS N N 118.5160 0.50 1 738 70 70 ASP H H 8.4450 0.05 1 739 70 70 ASP HA H 5.1990 0.05 1 740 70 70 ASP HB2 H 2.3490 0.05 2 741 70 70 ASP HB3 H 2.4260 0.05 2 742 70 70 ASP C C 175.5290 0.50 1 743 70 70 ASP CA C 53.0130 0.50 1 744 70 70 ASP CB C 38.4150 0.50 1 745 70 70 ASP N N 121.2380 0.50 1 746 71 71 PRO HA H 3.8490 0.05 1 747 71 71 PRO HB2 H 1.7460 0.05 2 748 71 71 PRO HB3 H 1.7890 0.05 2 749 71 71 PRO HG2 H 1.9190 0.05 2 750 71 71 PRO HG3 H 1.9870 0.05 2 751 71 71 PRO HD2 H 3.5150 0.05 2 752 71 71 PRO HD3 H 3.6550 0.05 2 753 71 71 PRO C C 177.8730 0.50 1 754 71 71 PRO CA C 63.9490 0.50 1 755 71 71 PRO CB C 31.0150 0.50 1 756 71 71 PRO CG C 25.2660 0.50 1 757 71 71 PRO CD C 49.4620 0.50 1 758 72 72 LYS H H 8.5340 0.05 1 759 72 72 LYS HA H 4.1570 0.05 1 760 72 72 LYS HB2 H 1.3160 0.05 2 761 72 72 LYS HB3 H 1.7610 0.05 2 762 72 72 LYS HG2 H 1.4790 0.05 2 763 72 72 LYS HG3 H 1.4790 0.05 2 764 72 72 LYS HD2 H 1.9370 0.05 2 765 72 72 LYS HD3 H 1.9370 0.05 2 766 72 72 LYS HE2 H 2.4420 0.05 2 767 72 72 LYS HE3 H 2.4680 0.05 2 768 72 72 LYS C C 174.7560 0.50 1 769 72 72 LYS CA C 53.8290 0.50 1 770 72 72 LYS CB C 29.5950 0.50 1 771 72 72 LYS CG C 23.9650 0.50 1 772 72 72 LYS CD C 27.0870 0.50 1 773 72 72 LYS CE C 41.1370 0.50 1 774 72 72 LYS N N 115.2500 0.50 1 775 73 73 LYS H H 7.1190 0.05 1 776 73 73 LYS HA H 3.3970 0.05 1 777 73 73 LYS HB2 H 1.1080 0.05 2 778 73 73 LYS HB3 H 1.6320 0.05 2 779 73 73 LYS HG2 H 0.8120 0.05 2 780 73 73 LYS HG3 H 0.8120 0.05 2 781 73 73 LYS HD2 H 1.5260 0.05 2 782 73 73 LYS HD3 H 1.5260 0.05 2 783 73 73 LYS HE2 H 2.9220 0.05 2 784 73 73 LYS HE3 H 2.9220 0.05 2 785 73 73 LYS C C 175.1940 0.50 1 786 73 73 LYS CA C 56.9070 0.50 1 787 73 73 LYS CB C 27.2850 0.50 1 788 73 73 LYS CG C 22.6640 0.50 1 789 73 73 LYS CD C 28.4750 0.50 1 790 73 73 LYS CE C 41.0500 0.50 1 791 73 73 LYS N N 115.7760 0.50 1 792 74 74 ASN H H 8.7190 0.05 1 793 74 74 ASN HA H 4.6450 0.05 1 794 74 74 ASN HB2 H 2.2920 0.05 2 795 74 74 ASN HB3 H 2.9450 0.05 2 796 74 74 ASN HD21 H 7.3220 0.05 2 797 74 74 ASN HD22 H 6.6680 0.05 2 798 74 74 ASN C C 174.5420 0.50 1 799 74 74 ASN CA C 50.4030 0.50 1 800 74 74 ASN CB C 36.6020 0.50 1 801 74 74 ASN N N 118.7520 0.50 1 802 74 74 ASN ND2 N 108.9090 0.50 1 803 75 75 ARG H H 10.6830 0.05 1 804 75 75 ARG HA H 2.7150 0.05 1 805 75 75 ARG HB2 H 1.7970 0.05 2 806 75 75 ARG HB3 H 2.0410 0.05 2 807 75 75 ARG HG2 H 1.4800 0.05 2 808 75 75 ARG HG3 H 1.4800 0.05 2 809 75 75 ARG HD2 H 3.0610 0.05 2 810 75 75 ARG HD3 H 3.0610 0.05 2 811 75 75 ARG C C 174.6740 0.50 1 812 75 75 ARG CA C 55.4270 0.50 1 813 75 75 ARG CB C 23.7360 0.50 1 814 75 75 ARG CG C 27.7810 0.50 1 815 75 75 ARG CD C 41.5700 0.50 1 816 75 75 ARG N N 121.8870 0.50 1 817 76 76 ARG H H 6.8800 0.05 1 818 76 76 ARG HA H 4.4510 0.05 1 819 76 76 ARG HB2 H 1.5170 0.05 2 820 76 76 ARG HB3 H 1.6820 0.05 2 821 76 76 ARG HG2 H 1.2420 0.05 2 822 76 76 ARG HG3 H 1.3320 0.05 2 823 76 76 ARG HD2 H 3.7150 0.05 2 824 76 76 ARG HD3 H 3.7150 0.05 2 825 76 76 ARG C C 174.5860 0.50 1 826 76 76 ARG CA C 54.0060 0.50 1 827 76 76 ARG CB C 27.8190 0.50 1 828 76 76 ARG CG C 25.2660 0.50 1 829 76 76 ARG CD C 42.1770 0.50 1 830 76 76 ARG N N 118.4990 0.50 1 831 77 77 TRP H H 7.5330 0.05 1 832 77 77 TRP HA H 4.4870 0.05 1 833 77 77 TRP HB2 H 2.8150 0.05 2 834 77 77 TRP HB3 H 2.8800 0.05 2 835 77 77 TRP HD1 H 6.9780 0.05 1 836 77 77 TRP HE1 H 9.6440 0.05 1 837 77 77 TRP C C 176.0160 0.50 1 838 77 77 TRP CA C 56.1160 0.50 1 839 77 77 TRP CB C 28.9550 0.50 1 840 77 77 TRP CD1 C 126.3330 0.50 1 841 77 77 TRP N N 123.1860 0.50 1 842 77 77 TRP NE1 N 128.3320 0.50 1 843 78 78 HIS H H 9.2080 0.05 1 844 78 78 HIS HA H 4.8600 0.05 1 845 78 78 HIS HB2 H 2.5000 0.05 2 846 78 78 HIS HB3 H 3.2750 0.05 2 847 78 78 HIS HD2 H 7.0110 0.05 1 848 78 78 HIS C C 175.2020 0.50 1 849 78 78 HIS CA C 53.7430 0.50 1 850 78 78 HIS CB C 32.2070 0.50 1 851 78 78 HIS CD2 C 118.3550 0.50 1 852 78 78 HIS N N 117.0580 0.50 1 853 79 79 TRP H H 8.8810 0.05 1 854 79 79 TRP HA H 5.4560 0.05 1 855 79 79 TRP HB2 H 3.2460 0.05 2 856 79 79 TRP HB3 H 3.6620 0.05 2 857 79 79 TRP HD1 H 7.0700 0.05 1 858 79 79 TRP HE1 H 10.3610 0.05 1 859 79 79 TRP HE3 H 7.5890 0.05 1 860 79 79 TRP C C 180.5040 0.50 1 861 79 79 TRP CA C 55.6770 0.50 1 862 79 79 TRP CB C 32.2190 0.50 1 863 79 79 TRP CD1 C 126.9620 0.50 1 864 79 79 TRP CE3 C 121.0210 0.50 1 865 79 79 TRP N N 124.2060 0.50 1 866 79 79 TRP NE1 N 130.1300 0.50 1 867 80 80 SER H H 10.1730 0.05 1 868 80 80 SER HA H 4.5370 0.05 1 869 80 80 SER HB2 H 4.1210 0.05 2 870 80 80 SER HB3 H 4.3370 0.05 2 871 80 80 SER C C 175.7740 0.50 1 872 80 80 SER CA C 60.7530 0.50 1 873 80 80 SER CB C 62.2620 0.50 1 874 80 80 SER N N 124.3120 0.50 1 875 81 81 SER H H 8.4700 0.05 1 876 81 81 SER HA H 4.3150 0.05 1 877 81 81 SER HB2 H 3.8850 0.05 2 878 81 81 SER HB3 H 4.1210 0.05 2 879 81 81 SER C C 176.0820 0.50 1 880 81 81 SER CA C 58.7110 0.50 1 881 81 81 SER CB C 63.6820 0.50 1 882 81 81 SER N N 115.1690 0.50 1 883 82 82 GLY H H 8.2390 0.05 1 884 82 82 GLY HA2 H 3.9060 0.05 2 885 82 82 GLY HA3 H 4.5090 0.05 2 886 82 82 GLY C C 174.8060 0.50 1 887 82 82 GLY CA C 44.3300 0.50 1 888 82 82 GLY N N 109.9060 0.50 1 889 83 83 SER H H 7.6130 0.05 1 890 83 83 SER HA H 4.3870 0.05 1 891 83 83 SER HB2 H 3.3460 0.05 2 892 83 83 SER HB3 H 3.9850 0.05 2 893 83 83 SER C C 173.1340 0.50 1 894 83 83 SER CA C 59.8080 0.50 1 895 83 83 SER CB C 63.7630 0.50 1 896 83 83 SER N N 116.7540 0.50 1 897 84 84 LEU H H 8.6870 0.05 1 898 84 84 LEU HA H 4.3220 0.05 1 899 84 84 LEU HB2 H 1.5670 0.05 2 900 84 84 LEU HB3 H 1.7250 0.05 2 901 84 84 LEU HG H 1.4390 0.05 1 902 84 84 LEU HD1 H 1.1620 0.05 2 903 84 84 LEU HD2 H 1.2430 0.05 2 904 84 84 LEU C C 178.5000 0.50 1 905 84 84 LEU CA C 54.7040 0.50 1 906 84 84 LEU CB C 40.9090 0.50 1 907 84 84 LEU CG C 29.6020 0.50 1 908 84 84 LEU CD1 C 22.3170 0.50 2 909 84 84 LEU CD2 C 22.7510 0.50 2 910 84 84 LEU N N 124.9440 0.50 1 911 85 85 VAL H H 8.6120 0.05 1 912 85 85 VAL HA H 4.4510 0.05 1 913 85 85 VAL HB H 2.1200 0.05 1 914 85 85 VAL HG1 H 1.0170 0.05 2 915 85 85 VAL HG2 H 0.9780 0.05 2 916 85 85 VAL C C 175.9720 0.50 1 917 85 85 VAL CA C 61.8180 0.50 1 918 85 85 VAL CB C 29.4170 0.50 1 919 85 85 VAL CG1 C 20.4100 0.50 2 920 85 85 VAL CG2 C 19.9760 0.50 2 921 85 85 VAL N N 123.0650 0.50 1 922 86 86 SER H H 8.5070 0.05 1 923 86 86 SER HA H 4.5300 0.05 1 924 86 86 SER HB2 H 3.8770 0.05 2 925 86 86 SER HB3 H 3.9920 0.05 2 926 86 86 SER C C 173.6840 0.50 1 927 86 86 SER CA C 58.3560 0.50 1 928 86 86 SER CB C 62.7950 0.50 1 929 86 86 SER N N 122.2510 0.50 1 930 87 87 TYR H H 8.4380 0.05 1 931 87 87 TYR HA H 4.4580 0.05 1 932 87 87 TYR HB2 H 2.6000 0.05 2 933 87 87 TYR HB3 H 3.0590 0.05 2 934 87 87 TYR HD1 H 7.1780 0.05 3 935 87 87 TYR HD2 H 7.1780 0.05 3 936 87 87 TYR HE1 H 7.0450 0.05 3 937 87 87 TYR HE2 H 7.0450 0.05 3 938 87 87 TYR C C 173.9480 0.50 1 939 87 87 TYR CA C 58.1790 0.50 1 940 87 87 TYR CB C 39.7140 0.50 1 941 87 87 TYR CD1 C 132.1020 0.50 3 942 87 87 TYR CD2 C 132.1020 0.50 3 943 87 87 TYR CE1 C 118.2380 0.50 3 944 87 87 TYR CE2 C 118.2380 0.50 3 945 87 87 TYR N N 124.2780 0.50 1 946 88 88 LYS H H 7.2090 0.05 1 947 88 88 LYS HA H 3.9420 0.05 1 948 88 88 LYS HB2 H 1.1150 0.05 2 949 88 88 LYS HB3 H 1.1650 0.05 2 950 88 88 LYS HG2 H 1.3160 0.05 2 951 88 88 LYS HG3 H 1.3340 0.05 2 952 88 88 LYS HD2 H 1.5110 0.05 2 953 88 88 LYS HD3 H 1.6820 0.05 2 954 88 88 LYS HE2 H 3.0680 0.05 2 955 88 88 LYS HE3 H 3.0680 0.05 2 956 88 88 LYS C C 173.3760 0.50 1 957 88 88 LYS CA C 53.6510 0.50 1 958 88 88 LYS CB C 34.7430 0.50 1 959 88 88 LYS CG C 23.0980 0.50 1 960 88 88 LYS CD C 28.3880 0.50 1 961 88 88 LYS CE C 40.9630 0.50 1 962 88 88 LYS N N 123.1460 0.50 1 963 89 89 SER H H 2.3190 0.05 1 964 89 89 SER HA H 3.7550 0.05 1 965 89 89 SER HB2 H 1.9900 0.05 2 966 89 89 SER HB3 H 2.3130 0.05 2 967 89 89 SER C C 173.0020 0.50 1 968 89 89 SER CA C 52.4970 0.50 1 969 89 89 SER CB C 61.4630 0.50 1 970 89 89 SER N N 109.9650 0.50 1 971 90 90 TRP H H 7.2800 0.05 1 972 90 90 TRP HA H 4.3220 0.05 1 973 90 90 TRP HB2 H 2.7510 0.05 2 974 90 90 TRP HB3 H 3.3180 0.05 2 975 90 90 TRP HD1 H 6.5710 0.05 1 976 90 90 TRP HE1 H 10.0490 0.05 1 977 90 90 TRP C C 178.4360 0.50 1 978 90 90 TRP CA C 57.7860 0.50 1 979 90 90 TRP CB C 29.5700 0.50 1 980 90 90 TRP CD1 C 125.1240 0.50 1 981 90 90 TRP N N 121.0270 0.50 1 982 90 90 TRP NE1 N 127.9680 0.50 1 983 91 91 GLY H H 9.1560 0.05 1 984 91 91 GLY HA2 H 3.8560 0.05 2 985 91 91 GLY HA3 H 4.1210 0.05 2 986 91 91 GLY C C 172.8920 0.50 1 987 91 91 GLY CA C 43.5320 0.50 1 988 91 91 GLY N N 109.5050 0.50 1 989 92 92 ILE H H 8.4070 0.05 1 990 92 92 ILE HA H 3.7910 0.05 1 991 92 92 ILE HB H 1.6750 0.05 1 992 92 92 ILE HG12 H 1.1730 0.05 2 993 92 92 ILE HG13 H 1.5470 0.05 2 994 92 92 ILE HG2 H 1.0760 0.05 1 995 92 92 ILE HD1 H 0.8070 0.05 1 996 92 92 ILE C C 178.8540 0.50 1 997 92 92 ILE CA C 62.5330 0.50 1 998 92 92 ILE CB C 36.1630 0.50 1 999 92 92 ILE CG1 C 26.5670 0.50 1 1000 92 92 ILE CG2 C 15.5530 0.50 1 1001 92 92 ILE CD1 C 11.0430 0.50 1 1002 92 92 ILE N N 120.1180 0.50 1 1003 93 93 GLY H H 8.8720 0.05 1 1004 93 93 GLY HA2 H 3.5980 0.05 2 1005 93 93 GLY HA3 H 4.0140 0.05 2 1006 93 93 GLY C C 172.6500 0.50 1 1007 93 93 GLY CA C 44.6860 0.50 1 1008 93 93 GLY N N 116.0690 0.50 1 1009 94 94 ALA H H 7.8990 0.05 1 1010 94 94 ALA HA H 4.5560 0.05 1 1011 94 94 ALA HB H 1.5840 0.05 1 1012 94 94 ALA C C 173.5970 0.50 1 1013 94 94 ALA CA C 48.3260 0.50 1 1014 94 94 ALA CB C 21.1840 0.50 1 1015 94 94 ALA N N 122.5550 0.50 1 1016 95 95 PRO HA H 4.4080 0.05 1 1017 95 95 PRO HB2 H 0.9930 0.05 2 1018 95 95 PRO HB3 H 1.6600 0.05 2 1019 95 95 PRO HG2 H 1.9080 0.05 2 1020 95 95 PRO HG3 H 1.9080 0.05 2 1021 95 95 PRO HD2 H 3.7050 0.05 2 1022 95 95 PRO HD3 H 3.9090 0.05 2 1023 95 95 PRO C C 177.1600 0.50 1 1024 95 95 PRO CA C 60.5010 0.50 1 1025 95 95 PRO CB C 31.7960 0.50 1 1026 95 95 PRO CG C 22.5780 0.50 1 1027 95 95 PRO CD C 46.9470 0.50 1 1028 96 96 SER H H 9.5530 0.05 1 1029 96 96 SER HA H 4.2860 0.05 1 1030 96 96 SER HB2 H 3.8850 0.05 2 1031 96 96 SER HB3 H 4.0350 0.05 2 1032 96 96 SER C C 175.6860 0.50 1 1033 96 96 SER CA C 58.7530 0.50 1 1034 96 96 SER CB C 63.9390 0.50 1 1035 96 96 SER N N 121.6840 0.50 1 1036 97 97 SER H H 8.9320 0.05 1 1037 97 97 SER HA H 4.5450 0.05 1 1038 97 97 SER HB2 H 3.7630 0.05 2 1039 97 97 SER HB3 H 3.7980 0.05 2 1040 97 97 SER C C 174.4540 0.50 1 1041 97 97 SER CA C 58.4450 0.50 1 1042 97 97 SER CB C 63.5050 0.50 1 1043 97 97 SER N N 118.2670 0.50 1 1044 98 98 VAL H H 7.6710 0.05 1 1045 98 98 VAL HA H 3.7830 0.05 1 1046 98 98 VAL HB H 1.5960 0.05 1 1047 98 98 VAL HG1 H 1.1770 0.05 2 1048 98 98 VAL HG2 H 0.8110 0.05 2 1049 98 98 VAL C C 175.3230 0.50 1 1050 98 98 VAL CA C 62.1850 0.50 1 1051 98 98 VAL CB C 31.7960 0.50 1 1052 98 98 VAL CG1 C 19.8020 0.50 2 1053 98 98 VAL CG2 C 19.2820 0.50 2 1054 98 98 VAL N N 122.0810 0.50 1 1055 99 99 ASN H H 8.4970 0.05 1 1056 99 99 ASN HA H 4.6770 0.05 1 1057 99 99 ASN HB2 H 2.5920 0.05 2 1058 99 99 ASN HB3 H 2.6960 0.05 2 1059 99 99 ASN HD21 H 7.5300 0.05 2 1060 99 99 ASN HD22 H 6.7920 0.05 2 1061 99 99 ASN C C 171.8200 0.50 1 1062 99 99 ASN CA C 52.1290 0.50 1 1063 99 99 ASN CB C 37.7840 0.50 1 1064 99 99 ASN N N 119.9560 0.50 1 1065 99 99 ASN ND2 N 112.9650 0.50 1 1066 100 100 PRO HA H 3.9710 0.05 1 1067 100 100 PRO HB2 H 1.2370 0.05 2 1068 100 100 PRO HB3 H 1.8830 0.05 2 1069 100 100 PRO HG2 H 1.7380 0.05 2 1070 100 100 PRO HG3 H 1.7380 0.05 2 1071 100 100 PRO HD2 H 3.0360 0.05 2 1072 100 100 PRO HD3 H 3.4960 0.05 2 1073 100 100 PRO C C 177.1380 0.50 1 1074 100 100 PRO CA C 63.1480 0.50 1 1075 100 100 PRO CB C 31.2400 0.50 1 1076 100 100 PRO CG C 26.1330 0.50 1 1077 100 100 PRO CD C 49.8090 0.50 1 1078 101 101 GLY H H 8.6520 0.05 1 1079 101 101 GLY HA2 H 3.0950 0.05 2 1080 101 101 GLY HA3 H 4.0850 0.05 2 1081 101 101 GLY C C 174.4320 0.50 1 1082 101 101 GLY CA C 42.2890 0.50 1 1083 101 101 GLY N N 108.0560 0.50 1 1084 102 102 TYR H H 7.5460 0.05 1 1085 102 102 TYR HA H 4.5800 0.05 1 1086 102 102 TYR HB2 H 3.0380 0.05 2 1087 102 102 TYR HB3 H 3.1020 0.05 2 1088 102 102 TYR HD1 H 6.9890 0.05 3 1089 102 102 TYR HD2 H 6.9890 0.05 3 1090 102 102 TYR HE1 H 6.5920 0.05 3 1091 102 102 TYR HE2 H 6.5920 0.05 3 1092 102 102 TYR C C 173.6620 0.50 1 1093 102 102 TYR CA C 58.4010 0.50 1 1094 102 102 TYR CB C 36.6900 0.50 1 1095 102 102 TYR CD1 C 132.9790 0.50 3 1096 102 102 TYR CD2 C 132.9790 0.50 3 1097 102 102 TYR CE1 C 117.6790 0.50 3 1098 102 102 TYR CE2 C 117.6790 0.50 3 1099 102 102 TYR N N 118.3430 0.50 1 1100 103 103 CYS H H 8.5840 0.05 1 1101 103 103 CYS HA H 5.0180 0.05 1 1102 103 103 CYS HB2 H 2.6430 0.05 2 1103 103 103 CYS HB3 H 2.8370 0.05 2 1104 103 103 CYS C C 172.2540 0.50 1 1105 103 103 CYS CA C 59.4210 0.50 1 1106 103 103 CYS CB C 46.7270 0.50 1 1107 103 103 CYS N N 119.0860 0.50 1 1108 104 104 VAL H H 7.3440 0.05 1 1109 104 104 VAL HA H 5.0900 0.05 1 1110 104 104 VAL HB H 1.6530 0.05 1 1111 104 104 VAL HG1 H 1.0290 0.05 2 1112 104 104 VAL HG2 H 1.0290 0.05 2 1113 104 104 VAL C C 172.5180 0.50 1 1114 104 104 VAL CA C 62.7090 0.50 1 1115 104 104 VAL CB C 33.0860 0.50 1 1116 104 104 VAL CG1 C 24.1390 0.50 2 1117 104 104 VAL CG2 C 21.8840 0.50 2 1118 104 104 VAL N N 119.8540 0.50 1 1119 105 105 SER H H 8.9530 0.05 1 1120 105 105 SER HA H 5.6490 0.05 1 1121 105 105 SER HB2 H 3.5620 0.05 2 1122 105 105 SER HB3 H 3.5980 0.05 2 1123 105 105 SER C C 173.1340 0.50 1 1124 105 105 SER CA C 54.6220 0.50 1 1125 105 105 SER CB C 68.4220 0.50 1 1126 105 105 SER N N 117.0210 0.50 1 1127 106 106 LEU H H 9.4420 0.05 1 1128 106 106 LEU HA H 5.2050 0.05 1 1129 106 106 LEU HB2 H 1.3160 0.05 2 1130 106 106 LEU HB3 H 1.7890 0.05 2 1131 106 106 LEU HG H 1.5220 0.05 1 1132 106 106 LEU HD1 H 0.7340 0.05 2 1133 106 106 LEU HD2 H 0.8630 0.05 2 1134 106 106 LEU C C 179.4480 0.50 1 1135 106 106 LEU CA C 52.8520 0.50 1 1136 106 106 LEU CB C 44.4190 0.50 1 1137 106 106 LEU CG C 25.4400 0.50 1 1138 106 106 LEU CD1 C 23.0110 0.50 2 1139 106 106 LEU CD2 C 24.0520 0.50 2 1140 106 106 LEU N N 118.5030 0.50 1 1141 107 107 THR H H 7.4940 0.05 1 1142 107 107 THR HA H 4.9820 0.05 1 1143 107 107 THR HB H 4.2650 0.05 1 1144 107 107 THR C C 177.0280 0.50 1 1145 107 107 THR CA C 58.1380 0.50 1 1146 107 107 THR CB C 69.8280 0.50 1 1147 107 107 THR CG2 C 22.0570 0.50 1 1148 107 107 THR N N 106.3340 0.50 1 1149 108 108 SER H H 9.0240 0.05 1 1150 108 108 SER HA H 3.8630 0.05 1 1151 108 108 SER HB2 H 3.4970 0.05 2 1152 108 108 SER HB3 H 3.5330 0.05 2 1153 108 108 SER C C 178.6560 0.50 1 1154 108 108 SER CA C 60.1320 0.50 1 1155 108 108 SER CB C 61.6410 0.50 1 1156 108 108 SER N N 124.1800 0.50 1 1157 109 109 SER H H 8.0680 0.05 1 1158 109 109 SER HA H 4.1140 0.05 1 1159 109 109 SER HB2 H 3.8340 0.05 2 1160 109 109 SER HB3 H 3.9060 0.05 2 1161 109 109 SER C C 175.3340 0.50 1 1162 109 109 SER CA C 59.9540 0.50 1 1163 109 109 SER CB C 61.6410 0.50 1 1164 109 109 SER N N 117.8670 0.50 1 1165 110 110 THR H H 6.9510 0.05 1 1166 110 110 THR HA H 4.5300 0.05 1 1167 110 110 THR HB H 4.4080 0.05 1 1168 110 110 THR C C 176.6980 0.50 1 1169 110 110 THR CA C 60.3090 0.50 1 1170 110 110 THR CB C 68.8310 0.50 1 1171 110 110 THR CG2 C 20.4100 0.50 1 1172 110 110 THR N N 110.5950 0.50 1 1173 111 111 GLY H H 7.9590 0.05 1 1174 111 111 GLY HA2 H 3.6410 0.05 2 1175 111 111 GLY HA3 H 3.8060 0.05 2 1176 111 111 GLY C C 174.7180 0.50 1 1177 111 111 GLY CA C 45.9280 0.50 1 1178 111 111 GLY N N 114.0640 0.50 1 1179 112 112 PHE H H 7.8830 0.05 1 1180 112 112 PHE HA H 3.6050 0.05 1 1181 112 112 PHE HB2 H 3.1020 0.05 2 1182 112 112 PHE HB3 H 3.1740 0.05 2 1183 112 112 PHE HD1 H 7.0110 0.05 3 1184 112 112 PHE HD2 H 7.0110 0.05 3 1185 112 112 PHE HE1 H 7.0580 0.05 3 1186 112 112 PHE HE2 H 7.0580 0.05 3 1187 112 112 PHE C C 173.1780 0.50 1 1188 112 112 PHE CA C 59.6880 0.50 1 1189 112 112 PHE CB C 34.2990 0.50 1 1190 112 112 PHE CD1 C 132.9670 0.50 3 1191 112 112 PHE CD2 C 132.9670 0.50 3 1192 112 112 PHE CE1 C 129.5540 0.50 3 1193 112 112 PHE CE2 C 129.5540 0.50 3 1194 112 112 PHE N N 108.0370 0.50 1 1195 113 113 GLN H H 7.0410 0.05 1 1196 113 113 GLN HA H 4.4230 0.05 1 1197 113 113 GLN HB2 H 1.8250 0.05 2 1198 113 113 GLN HB3 H 2.1770 0.05 2 1199 113 113 GLN HG2 H 2.4810 0.05 2 1200 113 113 GLN HG3 H 2.4810 0.05 2 1201 113 113 GLN HE21 H 7.4130 0.05 2 1202 113 113 GLN HE22 H 6.7690 0.05 2 1203 113 113 GLN C C 175.4880 0.50 1 1204 113 113 GLN CA C 52.6750 0.50 1 1205 113 113 GLN CB C 32.8790 0.50 1 1206 113 113 GLN CG C 34.0250 0.50 1 1207 113 113 GLN N N 112.0580 0.50 1 1208 113 113 GLN NE2 N 112.4430 0.50 1 1209 114 114 LYS H H 8.0920 0.05 1 1210 114 114 LYS HA H 5.5130 0.05 1 1211 114 114 LYS HB2 H 2.4930 0.05 2 1212 114 114 LYS HB3 H 2.5280 0.05 2 1213 114 114 LYS HG2 H 1.3540 0.05 2 1214 114 114 LYS HG3 H 1.3540 0.05 2 1215 114 114 LYS HD2 H 1.7230 0.05 2 1216 114 114 LYS HD3 H 1.7230 0.05 2 1217 114 114 LYS HE2 H 3.6480 0.05 2 1218 114 114 LYS HE3 H 3.6480 0.05 2 1219 114 114 LYS C C 178.1850 0.50 1 1220 114 114 LYS CA C 52.6250 0.50 1 1221 114 114 LYS CB C 31.6290 0.50 1 1222 114 114 LYS CG C 22.6640 0.50 1 1223 114 114 LYS CD C 26.0470 0.50 1 1224 114 114 LYS CE C 40.0090 0.50 1 1225 114 114 LYS N N 116.9980 0.50 1 1226 115 115 TRP H H 9.5920 0.05 1 1227 115 115 TRP HA H 4.5520 0.05 1 1228 115 115 TRP HB2 H 1.5240 0.05 2 1229 115 115 TRP HB3 H 1.7250 0.05 2 1230 115 115 TRP HD1 H 7.2630 0.05 1 1231 115 115 TRP HE1 H 10.8170 0.05 1 1232 115 115 TRP C C 174.0320 0.50 1 1233 115 115 TRP CA C 56.0520 0.50 1 1234 115 115 TRP CB C 36.6850 0.50 1 1235 115 115 TRP CD1 C 126.9550 0.50 1 1236 115 115 TRP N N 123.8660 0.50 1 1237 115 115 TRP NE1 N 129.1420 0.50 1 1238 116 116 LYS H H 9.9700 0.05 1 1239 116 116 LYS HA H 5.3480 0.05 1 1240 116 116 LYS HB2 H 2.4280 0.05 2 1241 116 116 LYS HB3 H 2.7150 0.05 2 1242 116 116 LYS HG2 H 0.9840 0.05 2 1243 116 116 LYS HG3 H 1.0540 0.05 2 1244 116 116 LYS HD2 H 1.5360 0.05 2 1245 116 116 LYS HD3 H 1.5360 0.05 2 1246 116 116 LYS HE2 H 2.9250 0.05 2 1247 116 116 LYS HE3 H 2.9250 0.05 2 1248 116 116 LYS C C 174.6300 0.50 1 1249 116 116 LYS CA C 52.7760 0.50 1 1250 116 116 LYS CB C 39.1510 0.50 1 1251 116 116 LYS CG C 23.2710 0.50 1 1252 116 116 LYS CD C 28.4750 0.50 1 1253 116 116 LYS CE C 40.7900 0.50 1 1254 116 116 LYS N N 125.0790 0.50 1 1255 117 117 ASP H H 9.3780 0.05 1 1256 117 117 ASP HA H 4.5320 0.05 1 1257 117 117 ASP HB2 H 2.4300 0.05 2 1258 117 117 ASP HB3 H 2.5000 0.05 2 1259 117 117 ASP C C 172.9530 0.50 1 1260 117 117 ASP CA C 58.4280 0.50 1 1261 117 117 ASP CB C 32.9010 0.50 1 1262 117 117 ASP N N 118.0790 0.50 1 1263 119 119 PRO HA H 4.8820 0.05 1 1264 119 119 PRO HB2 H 1.8610 0.05 2 1265 119 119 PRO HB3 H 2.5500 0.05 2 1266 119 119 PRO HG2 H 2.2810 0.05 2 1267 119 119 PRO HG3 H 2.2810 0.05 2 1268 119 119 PRO HD2 H 3.4580 0.05 2 1269 119 119 PRO HD3 H 3.5120 0.05 2 1270 119 119 PRO C C 179.0740 0.50 1 1271 119 119 PRO CA C 63.0600 0.50 1 1272 119 119 PRO CB C 31.0650 0.50 1 1273 119 119 PRO CG C 26.8270 0.50 1 1274 119 119 PRO CD C 50.5900 0.50 1 1275 120 120 CYS H H 9.1890 0.05 1 1276 120 120 CYS HA H 4.5950 0.05 1 1277 120 120 CYS HB2 H 3.0380 0.05 2 1278 120 120 CYS HB3 H 3.0880 0.05 2 1279 120 120 CYS C C 175.6800 0.50 1 1280 120 120 CYS CA C 57.8740 0.50 1 1281 120 120 CYS CB C 44.0740 0.50 1 1282 120 120 CYS N N 122.3350 0.50 1 1283 121 121 GLU H H 8.7030 0.05 1 1284 121 121 GLU HA H 4.3650 0.05 1 1285 121 121 GLU HB2 H 2.0840 0.05 2 1286 121 121 GLU HB3 H 2.1770 0.05 2 1287 121 121 GLU HG2 H 2.3170 0.05 2 1288 121 121 GLU HG3 H 2.3170 0.05 2 1289 121 121 GLU C C 176.2140 0.50 1 1290 121 121 GLU CA C 56.6700 0.50 1 1291 121 121 GLU CB C 27.3750 0.50 1 1292 121 121 GLU CG C 34.8060 0.50 1 1293 121 121 GLU N N 117.1940 0.50 1 1294 122 122 ASP H H 7.6790 0.05 1 1295 122 122 ASP HA H 4.2220 0.05 1 1296 122 122 ASP HB2 H 1.4880 0.05 2 1297 122 122 ASP HB3 H 2.6650 0.05 2 1298 122 122 ASP C C 172.3860 0.50 1 1299 122 122 ASP CA C 53.3850 0.50 1 1300 122 122 ASP CB C 37.0510 0.50 1 1301 122 122 ASP N N 120.6550 0.50 1 1302 123 123 LYS H H 7.4800 0.05 1 1303 123 123 LYS HA H 4.3870 0.05 1 1304 123 123 LYS HB2 H 0.9860 0.05 2 1305 123 123 LYS HB3 H 1.5240 0.05 2 1306 123 123 LYS HG2 H 1.3070 0.05 2 1307 123 123 LYS HG3 H 1.3070 0.05 2 1308 123 123 LYS HD2 H 1.6630 0.05 2 1309 123 123 LYS HD3 H 1.6630 0.05 2 1310 123 123 LYS HE2 H 2.7130 0.05 2 1311 123 123 LYS HE3 H 2.7130 0.05 2 1312 123 123 LYS C C 174.4540 0.50 1 1313 123 123 LYS CA C 54.1840 0.50 1 1314 123 123 LYS CB C 31.1040 0.50 1 1315 123 123 LYS CG C 23.9650 0.50 1 1316 123 123 LYS CD C 28.5620 0.50 1 1317 123 123 LYS CE C 41.2230 0.50 1 1318 123 123 LYS N N 115.8260 0.50 1 1319 124 124 PHE H H 8.1030 0.05 1 1320 124 124 PHE HA H 5.5710 0.05 1 1321 124 124 PHE HB2 H 1.5100 0.05 2 1322 124 124 PHE HB3 H 3.2030 0.05 2 1323 124 124 PHE HD1 H 6.8180 0.05 3 1324 124 124 PHE HD2 H 7.1400 0.05 3 1325 124 124 PHE HE1 H 7.1400 0.05 3 1326 124 124 PHE HE2 H 6.8180 0.05 3 1327 124 124 PHE C C 176.5440 0.50 1 1328 124 124 PHE CA C 52.8520 0.50 1 1329 124 124 PHE CB C 41.8450 0.50 1 1330 124 124 PHE CD1 C 130.8170 0.50 3 1331 124 124 PHE CD2 C 130.0730 0.50 3 1332 124 124 PHE CE1 C 130.0730 0.50 3 1333 124 124 PHE CE2 C 130.8170 0.50 3 1334 124 124 PHE N N 121.9210 0.50 1 1335 125 125 SER H H 8.1410 0.05 1 1336 125 125 SER HA H 4.8390 0.05 1 1337 125 125 SER HB2 H 3.6840 0.05 2 1338 125 125 SER HB3 H 4.2070 0.05 2 1339 125 125 SER C C 173.8160 0.50 1 1340 125 125 SER CA C 58.1790 0.50 1 1341 125 125 SER CB C 63.3270 0.50 1 1342 125 125 SER N N 115.6360 0.50 1 1343 126 126 PHE H H 7.9850 0.05 1 1344 126 126 PHE HA H 5.4340 0.05 1 1345 126 126 PHE HB2 H 2.8370 0.05 2 1346 126 126 PHE HB3 H 3.5400 0.05 2 1347 126 126 PHE HD1 H 6.7620 0.05 3 1348 126 126 PHE HD2 H 6.7620 0.05 3 1349 126 126 PHE HE1 H 7.0830 0.05 3 1350 126 126 PHE HE2 H 7.0830 0.05 3 1351 126 126 PHE C C 171.9460 0.50 1 1352 126 126 PHE CA C 56.4030 0.50 1 1353 126 126 PHE CB C 40.9570 0.50 1 1354 126 126 PHE CD1 C 133.4540 0.50 3 1355 126 126 PHE CD2 C 133.4540 0.50 3 1356 126 126 PHE CE1 C 130.1410 0.50 3 1357 126 126 PHE CE2 C 130.1410 0.50 3 1358 126 126 PHE N N 109.6840 0.50 1 1359 127 127 VAL H H 6.7310 0.05 1 1360 127 127 VAL HA H 5.4060 0.05 1 1361 127 127 VAL HB H 1.9620 0.05 1 1362 127 127 VAL HG1 H 1.1160 0.05 2 1363 127 127 VAL HG2 H 0.9170 0.05 2 1364 127 127 VAL C C 176.1040 0.50 1 1365 127 127 VAL CA C 59.3680 0.50 1 1366 127 127 VAL CB C 33.8770 0.50 1 1367 127 127 VAL CG1 C 20.5830 0.50 2 1368 127 127 VAL CG2 C 19.9760 0.50 2 1369 127 127 VAL N N 115.8870 0.50 1 1370 128 128 CYS H H 9.1940 0.05 1 1371 128 128 CYS HA H 5.5060 0.05 1 1372 128 128 CYS HB2 H 2.4070 0.05 2 1373 128 128 CYS HB3 H 3.6480 0.05 2 1374 128 128 CYS C C 173.4860 0.50 1 1375 128 128 CYS CA C 51.3690 0.50 1 1376 128 128 CYS CB C 38.0970 0.50 1 1377 128 128 CYS N N 123.6130 0.50 1 1378 129 129 LYS H H 8.5880 0.05 1 1379 129 129 LYS HA H 5.1110 0.05 1 1380 129 129 LYS HB2 H 1.3300 0.05 2 1381 129 129 LYS HB3 H 1.5960 0.05 2 1382 129 129 LYS HG2 H 1.3050 0.05 2 1383 129 129 LYS HG3 H 1.3350 0.05 2 1384 129 129 LYS HD2 H 1.6140 0.05 2 1385 129 129 LYS HD3 H 1.6140 0.05 2 1386 129 129 LYS HE2 H 3.1250 0.05 2 1387 129 129 LYS HE3 H 3.1250 0.05 2 1388 129 129 LYS C C 174.9160 0.50 1 1389 129 129 LYS CA C 54.1820 0.50 1 1390 129 129 LYS CB C 38.1840 0.50 1 1391 129 129 LYS CG C 23.7050 0.50 1 1392 129 129 LYS CD C 30.2960 0.50 1 1393 129 129 LYS CE C 40.0090 0.50 1 1394 129 129 LYS N N 122.5150 0.50 1 1395 130 130 PHE H H 9.0990 0.05 1 1396 130 130 PHE HA H 5.2190 0.05 1 1397 130 130 PHE HB2 H 3.0590 0.05 2 1398 130 130 PHE HB3 H 3.1310 0.05 2 1399 130 130 PHE HD1 H 6.7810 0.05 3 1400 130 130 PHE HD2 H 6.7810 0.05 3 1401 130 130 PHE HE1 H 6.9890 0.05 3 1402 130 130 PHE HE2 H 6.9890 0.05 3 1403 130 130 PHE C C 172.2980 0.50 1 1404 130 130 PHE CA C 55.3250 0.50 1 1405 130 130 PHE CB C 40.5580 0.50 1 1406 130 130 PHE CD1 C 130.8840 0.50 3 1407 130 130 PHE CD2 C 130.8840 0.50 3 1408 130 130 PHE CE1 C 129.6670 0.50 3 1409 130 130 PHE CE2 C 129.6670 0.50 3 1410 130 130 PHE N N 124.6770 0.50 1 1411 131 131 LYS H H 9.0240 0.05 1 1412 131 131 LYS HA H 3.7270 0.05 1 1413 131 131 LYS HB2 H 1.5170 0.05 2 1414 131 131 LYS HB3 H 1.7250 0.05 2 1415 131 131 LYS HG2 H 1.2450 0.05 2 1416 131 131 LYS HG3 H 1.2450 0.05 2 1417 131 131 LYS HD2 H 1.7450 0.05 2 1418 131 131 LYS HD3 H 1.8670 0.05 2 1419 131 131 LYS HE2 H 3.0920 0.05 2 1420 131 131 LYS HE3 H 3.0920 0.05 2 1421 131 131 LYS C C 175.3340 0.50 1 1422 131 131 LYS CA C 56.0480 0.50 1 1423 131 131 LYS CB C 32.3460 0.50 1 1424 131 131 LYS CG C 23.4450 0.50 1 1425 131 131 LYS CD C 27.4340 0.50 1 1426 131 131 LYS CE C 41.2230 0.50 1 1427 131 131 LYS N N 123.0460 0.50 1 1428 132 132 ASN H H 7.9050 0.05 1 1429 132 132 ASN HA H 4.5730 0.05 1 1430 132 132 ASN HB2 H 2.4820 0.05 2 1431 132 132 ASN HB3 H 2.5340 0.05 2 1432 132 132 ASN HD21 H 7.2040 0.05 2 1433 132 132 ASN HD22 H 6.5020 0.05 2 1434 132 132 ASN CA C 53.9560 0.50 1 1435 132 132 ASN CB C 39.9890 0.50 1 1436 132 132 ASN N N 126.5160 0.50 1 1437 132 132 ASN ND2 N 111.2200 0.50 1 stop_ save_