Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.57 M 0.21 I 0.1 A 0.09 C Shift Assignments>> CA :: 56.57906798 CB :: 36.32847879 CG :: 30.0271152 CE :: 17.23542889 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.267998356 HB2 :: 2.211620312 HB3 :: 2.220253761 HE1 :: 2.048359801 HE2 :: 2.048359801 HE3 :: 2.048359801 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.31 R 0.11 G 0.01 HN Overlap>> 1.F77 1.F77 C Shift Assignments>> CA :: 54.44489724 CB :: 32.4374398 CG :: 24.53257282 CD :: 29.252518 CE :: 42.15115739 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.158 HA :: 4.610483913 HB2 :: 1.702471824 HB3 :: 1.807854337 HG2 :: 1.463363822 HG3 :: 1.466511967 HD2 :: 1.695346103 HD3 :: 1.685109732 HE2 :: 2.993664792 HE3 :: 2.992251476 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.295 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> CA :: 62.9225127 CB :: 32.38811945 CG :: 27.41194612 CD :: 50.64950894 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.321869406 HB2 :: 1.735500664 HB3 :: 2.148032879 HG2 :: 1.738200136 HG3 :: 1.726492263 HD2 :: 3.516082314 HD3 :: 3.803972426 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.23 C 0.22 M 0.11 E 0.07 R 0.01 C Shift Assignments>> CA :: 55.20912375 CB :: 29.80597966 CG :: 33.92762776 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.346170112 HA :: 4.278886355 HB2 :: 1.925517939 HB3 :: 2.074413991 HG2 :: 2.392722038 HG3 :: 2.394190665 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.3468988 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 HN Overlap>> 1.L24 1.L24 C Shift Assignments>> CA :: 63.8665501 CB :: 70.14013164 CG2 :: 21.53192546 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.108834278 HA :: 3.854421982 HB :: 3.710564653 HG21 :: 0.9048867632 HG22 :: 0.9048867632 HG23 :: 0.9048867632 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.6113181 Ave N Shift Values>> N :: 115.42(4.75) 1.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.12 R 0.1 H 0.09 Q 0.07 I 0.05 V 0.05 K 0.05 M 0.03 C Shift Assignments>> CA :: 59.67176259 CB :: 30.25052004 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.340819767 HA :: 4.468593987 HB2 :: 2.455133176 HB3 :: 3.555371081 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 128.4063802 Ave N Shift Values>> N :: 120.17(4.64) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 63.80453323 CB :: 68.8845503 CG2 :: 22.06935093 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.800470761 HA :: 4.057217713 HB :: 4.360205826 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.9061813 Ave N Shift Values>> N :: 115.42(4.75) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> CA :: 63.27964481 CB :: 38.23968479 CG1 :: 27.60592079 CG2 :: 18.3893454 CD1 :: 12.09900013 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.486077727 HA :: 4.110404467 HB :: 1.781955783 HG12 :: 1.417781746 HG13 :: 1.210500372 HG21 :: 0.8070226602 HG22 :: 0.8070226602 HG23 :: 0.8070226602 HD11 :: 0.7380389988 HD12 :: 0.7380389988 HD13 :: 0.7380389988 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.3599805 Ave N Shift Values>> N :: 121.46(4.28) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.16 E 0.12 R 0.12 H 0.1 K 0.07 V 0.06 Q 0.06 M 0.05 I 0.02 HN Overlap>> 1.K52 1.K52 C Shift Assignments>> CA :: 59.22115892 CB :: 30.96168598 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.311119903 HA :: 4.590767493 HB2 :: 3.065208799 HB3 :: 3.287341236 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.9581991 Ave N Shift Values>> N :: 120.17(4.64) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.25 E 0.16 K 0.03 Q 0.01 L 0.01 C Shift Assignments>> CA :: 58.11864706 CB :: 26.69772424 CG :: 36.69383166 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.602508723 HA :: 3.94473478 HB2 :: 2.233301403 HB3 :: 2.296076038 HG2 :: 2.049876259 HG3 :: 2.050842147 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 113.8341655 Ave N Shift Values>> N :: 120.67(3.48) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> CA :: 61.93138297 CB :: 70.92447899 CG2 :: 22.44778792 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.469498545 HA :: 4.642617423 HB :: 4.147267424 HG21 :: 1.140694883 HG22 :: 1.140694883 HG23 :: 1.140694883 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.0424863 Ave N Shift Values>> N :: 115.42(4.75) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> CA :: 60.78754939 CB :: 69.53114107 CG2 :: 21.53835305 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.802853118 HA :: 4.462442541 HB :: 3.946887836 HG21 :: 1.144277248 HG22 :: 1.144277248 HG23 :: 1.144277248 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.9584766 Ave N Shift Values>> N :: 115.42(4.75) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.62 P 0.37 C Shift Assignments>> CA :: 61.85847876 CB :: 32.15487914 CG :: 27.00193095 CD :: 52.16424524 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.358324063 HB2 :: 1.640966224 HB3 :: 1.893128005 HD2 :: 4.025507586 HD3 :: 3.514338731 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> CA :: 63.71200782 CB :: 32.47594387 CG1 :: 22.05677669 CG2 :: 19.90515979 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 10.01276128 HA :: 4.056214123 HB :: 2.27586819 HG11 :: 1.013014077 HG12 :: 1.013014077 HG13 :: 1.013014077 HG21 :: 1.013693846 HG22 :: 1.013693846 HG23 :: 1.013693846 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.0891584 Ave N Shift Values>> N :: 121.14(4.54) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.15 C 0.08 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> CA :: 52.19403447 CB :: 38.7462507 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.542306312 HA :: 4.554821265 HB2 :: 3.222148726 HB3 :: 3.417349051 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.0843122 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.41 C 0.04 I 0.04 V 0.01 C Shift Assignments>> CA :: 55.57707961 CB :: 18.82540915 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.099749894 HA :: 4.181451809 HB1 :: 1.505550594 HB2 :: 1.505550594 HB3 :: 1.505550594 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.5701495 Ave N Shift Values>> N :: 123.23(3.54) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 HN Overlap>> 1.L62 1.L64 1.L62 1.L64 C Shift Assignments>> CA :: 64.14370935 CB :: 37.58998768 CG1 :: 28.65324102 CG2 :: 17.60718279 CD1 :: 12.63138897 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.900397739 HA :: 3.939473303 HB :: 1.883604231 HG12 :: 1.215357173 HG13 :: 1.57908059 HG21 :: 0.9494275802 HG22 :: 0.9494275802 HG23 :: 0.9494275802 HD11 :: 0.8710103761 HD12 :: 0.8710103761 HD13 :: 0.8710103761 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.6221386 Ave N Shift Values>> N :: 121.46(4.28) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.21 D 0.15 F 0.15 Y 0.11 C 0.06 R 0.04 N 0.01 I 0.01 C Shift Assignments>> CA :: 56.42055028 CB :: 41.54253824 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.371824695 HA :: 4.157015352 HB2 :: 2.800063842 HB3 :: 2.882505108 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.7492051 Ave N Shift Values>> N :: 120.65(3.86) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.2 I 0.08 C 0.03 C Shift Assignments>> CA :: 56.05938739 CB :: 17.8479633 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.542447852 HA :: 3.866358857 HB1 :: 1.532941833 HB2 :: 1.532941833 HB3 :: 1.532941833 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.797564 Ave N Shift Values>> N :: 123.23(3.54) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 I 0.18 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> CA :: 59.55319147 CB :: 29.44303187 CG :: 36.31080804 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.765535128 HA :: 4.210662754 HB2 :: 2.28066549 HB3 :: 2.282 HG2 :: 2.279767032 HG3 :: 2.496611904 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.8082944 Ave N Shift Values>> N :: 120.67(3.48) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.23 M 0.11 C Shift Assignments>> CA :: 58.50150886 CB :: 36.43878844 CG :: 29.91983846 CE :: 16.88098731 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.120566631 HA :: 4.112106218 HB2 :: 2.368004627 HB3 :: 2.368322354 HG2 :: 2.064961107 HG3 :: 2.068801758 HE1 :: 2.082411644 HE2 :: 2.082411644 HE3 :: 2.082411644 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.1916394 Ave N Shift Values>> N :: 120.09(3.57) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.16 M 0.11 R 0.1 W 0.09 H 0.08 V 0.07 E 0.07 Q 0.06 HN Overlap>> 1.V57 1.V57 C Shift Assignments>> CA :: 58.38978661 CB :: 32.38226951 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.556411146 HA :: 4.283399721 HB2 :: 2.720695973 HB3 :: 2.845432821 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.0411615 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.21 L 0.12 K 0.12 C 0.1 D 0.08 I 0.05 C Shift Assignments>> CA :: 57.81020547 CB :: 40.87929935 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.173714692 HA :: 4.473770644 HB2 :: 2.929891581 HB3 :: 2.816915945 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.8718122 Ave N Shift Values>> N :: 120.65(3.86) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.29 G 0.15 R 0.04 A 0.01 HN Overlap>> 1.T5 1.T5 C Shift Assignments>> CA :: 56.41741094 CB :: 43.91438788 CG :: 26.83653537 CD1 :: 25.20059042 CD2 :: 23.0041515 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.054753471 HA :: 4.353681457 HB2 :: 1.595675307 HB3 :: 1.768466939 HG :: 1.870769436 HD11 :: 0.8990514919 HD12 :: 0.8990514919 HD13 :: 0.8990514919 HD21 :: 0.9073638369 HD22 :: 0.9073638369 HD23 :: 0.9073638369 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.5452195 Ave N Shift Values>> N :: 121.86(3.9) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 L 0.17 K 0.16 Y 0.16 D 0.13 C 0.08 I 0.02 R 0.01 N 0.01 HN Overlap>> 1.I48 1.I48 C Shift Assignments>> CA :: 56.94970169 CB :: 41.13126159 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.611999323 HA :: 4.995134173 HB2 :: 2.471435932 HB3 :: 2.765545063 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.777923 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 P 0.29 C 0.11 V 0.03 C Shift Assignments>> CA :: 66.21484293 CB :: 28.07128356 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.081936718 HA :: 4.087722203 HB2 :: 2.799627329 HB3 :: 2.935085686 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.5896615 Ave N Shift Values>> N :: 120.17(4.64) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.80960206 CB :: 62.4936888 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.211652836 HA :: 3.920095887 HB2 :: 3.525357677 HB3 :: 3.544218318 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.2337483 Ave N Shift Values>> N :: 116.28(3.52) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.24 C 0.18 I 0.08 D 0.05 N 0.04 E 0.03 L 0.03 M 0.01 C Shift Assignments>> CA :: 57.29332476 CB :: 38.60240554 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.628141793 HA :: 4.560116131 HB2 :: 2.757568892 HB3 :: 2.682308021 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.6271485 Ave N Shift Values>> N :: 120.52(4.2) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.21 N 0.19 Y 0.11 M 0.09 F 0.07 K 0.02 D 0.02 I 0.01 C Shift Assignments>> CA :: 54.99938023 CB :: 36.83771092 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.243575086 HA :: 4.150697565 HB2 :: 2.885696075 HB3 :: 3.068356698 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.2801084 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 C Shift Assignments>> CA :: 58.8025353 CB :: 40.25546126 CG1 :: 27.69635458 CG2 :: 17.12781026 CD1 :: 13.37080749 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.423153079 HA :: 4.520245832 HB :: 1.568897505 HG12 :: 0.6642229286 HG13 :: 1.580107053 HG21 :: 0.5354725617 HG22 :: 0.5354725617 HG23 :: 0.5354725617 HD11 :: 0.8018083706 HD12 :: 0.8018083706 HD13 :: 0.8018083706 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.2958196 Ave N Shift Values>> N :: 121.46(4.28) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.13 H 0.13 W 0.12 M 0.12 E 0.11 K 0.1 Q 0.08 V 0.01 C Shift Assignments>> CA :: 56.86829877 CB :: 31.2450978 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.192675787 HA :: 4.388726195 HB2 :: 2.491719843 HB3 :: 3.095657567 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.3639873 Ave N Shift Values>> N :: 120.17(4.64) 1.P32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.54 C 0.45 C Shift Assignments>> CA :: 63.81247089 CB :: 32.00491929 CG :: 25.18665104 CD :: 51.49825691 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.946787445 HB2 :: 1.566930439 HB3 :: 0.8747613304 HG2 :: 0.4756412872(S) HD2 :: 4.322632683 HD3 :: 3.870153749 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.27 I 0.23 C 0.16 L 0.01 D 0.01 C Shift Assignments>> CA :: 59.57666703 CB :: 39.3258049 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.27912028 HA :: 4.570851229 HB2 :: 2.663357048 HB3 :: 3.388943684 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.9484444 Ave N Shift Values>> N :: 120.52(4.2) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.17 M 0.13 R 0.1 W 0.08 Q 0.08 H 0.08 E 0.06 V 0.06 C Shift Assignments>> CA :: 58.1098625 CB :: 32.56076653 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.584375635 HA :: 5.006159184 HB2 :: 2.345181789 HB3 :: 3.394772981 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.5712295 Ave N Shift Values>> N :: 120.17(4.64) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.39 I 0.01 C 0.01 C Shift Assignments>> CA :: 54.05561808 CB :: 16.83624128 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.852894091 HA :: 4.082991419 HB1 :: 1.422062606 HB2 :: 1.422062606 HB3 :: 1.422062606 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5185169 Ave N Shift Values>> N :: 123.23(3.54) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.58746013 CB :: 63.44572531 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.181856686 HA :: 4.25144282 HB2 :: 3.428472693 HB3 :: 3.448036488 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.101541 Ave N Shift Values>> N :: 116.28(3.52) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.37 K 0.08 G 0.06 C Shift Assignments>> CA :: 56.24264923 CB :: 30.07206013 CG :: 27.91585293 CD :: 43.34507565 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.472287281 HA :: 4.534279584 HB2 :: 1.856965507 HB3 :: 1.724970624 HG2 :: 1.591613744 HG3 :: 1.69927826 HD2 :: 3.210767787 HD3 :: 3.210926538 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.9700272 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.17 G 0.17 R 0.07 A 0.03 C Shift Assignments>> CA :: 52.85656445 CB :: 43.59401223 CG :: 27.71978219 CD1 :: 23.61526938 CD2 :: 25.34245376 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.60393313 HA :: 4.73162989 HB2 :: 1.453103728 HB3 :: 1.643106716 HG :: 1.384423006 HD11 :: 0.4461649281 HD12 :: 0.4461649281 HD13 :: 0.4461649281 HD21 :: 0.5520186378 HD22 :: 0.5520186378 HD23 :: 0.5520186378 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.4618788 Ave N Shift Values>> N :: 121.86(3.9) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> CA :: 60.34983244 CB :: 71.08175041 CG2 :: 22.0648959 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.566063562 HA :: 4.545904998 HB :: 4.550710396 HG21 :: 1.262584315 HG22 :: 1.262584315 HG23 :: 1.262584315 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.5721555 Ave N Shift Values>> N :: 115.42(4.75) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.48033502 CB :: 62.70761223 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.961110507 HA :: 4.158483388 HB2 :: 3.971078555 HB3 :: 3.97107859 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.2984784 Ave N Shift Values>> N :: 116.28(3.52) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 F 0.15 Y 0.12 N 0.11 C 0.07 K 0.05 I 0.01 C Shift Assignments>> CA :: 55.18728903 CB :: 40.53985859 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.431753947 HA :: 4.591822695 HB2 :: 2.67506586 HB3 :: 2.695836832 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.2139345 Ave N Shift Values>> N :: 120.65(3.86) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.41098896 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.833528966 HA2 :: 3.744125347 HA3 :: 3.88480227 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.646608 Ave N Shift Values>> N :: 109.67(3.87) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.33 R 0.11 G 0.01 C Shift Assignments>> CA :: 59.40490088 CB :: 42.02259268 CG :: 27.33914121 CD1 :: 24.30536458 CD2 :: 26.216694 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.891627243 HA :: 4.046337827 HB2 :: 1.8672009 HB3 :: 1.862187056 HG :: 1.643136036 HD11 :: 0.842892786 HD12 :: 0.842892786 HD13 :: 0.842892786 HD21 :: 1.052432659 HD22 :: 1.052432659 HD23 :: 1.052432659 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.9217034 Ave N Shift Values>> N :: 121.86(3.9) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.16 I 0.12 C 0.03 V 0.01 C Shift Assignments>> CA :: 56.54157699 CB :: 18.02435693 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.700223918 HA :: 4.171243528 HB1 :: 1.473877959 HB2 :: 1.473877959 HB3 :: 1.473877959 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1288904 Ave N Shift Values>> N :: 123.23(3.54) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.42 K 0.06 G 0.06 C Shift Assignments>> CA :: 58.07858347 CB :: 30.17696105 CG :: 27.58861192 CD :: 43.32356938 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.086704939 HA :: 4.096505962 HB3 :: 1.832818935 HG2 :: 1.662683376 HG3 :: 1.742584661 HD2 :: 3.234664412 HD3 :: 3.236870339 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.4233117 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.16 E 0.11 I 0.11 K 0.1 H 0.08 Q 0.08 R 0.08 V 0.02 M 0.01 C Shift Assignments>> CA :: 59.66479004 CB :: 29.35085132 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.861656297 HA :: 4.338816 HB2 :: 3.49034094 HB3 :: 3.490859172 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.1646939 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> CA :: 68.09628943 CB :: 32.40529533 CG1 :: 23.51306354 CG2 :: 23.56206049 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.815551884 HA :: 3.57855041 HB :: 2.265441169 HG11 :: 1.370551855 HG12 :: 1.370551855 HG13 :: 1.370551855 HG21 :: 1.596152984 HG22 :: 1.596152984 HG23 :: 1.596152984 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.9037969 Ave N Shift Values>> N :: 121.14(4.54) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 HN Overlap>> 1.N25 1.N25 C Shift Assignments>> CA :: 63.45440523 CB :: 38.14297809 CG1 :: 29.16314286 CG2 :: 17.41035232 CD1 :: 13.87012886 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.573665434 HA :: 3.865484185 HB :: 1.93037689 HG12 :: 1.2744095 HG13 :: 1.552097052 HG21 :: 0.925093214 HG22 :: 0.925093214 HG23 :: 0.925093214 HD11 :: 0.913168764 HD12 :: 0.913168764 HD13 :: 0.913168764 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.6795705 Ave N Shift Values>> N :: 121.46(4.28) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.22 C 0.22 M 0.15 E 0.03 R 0.01 C Shift Assignments>> CA :: 54.05502973 CB :: 29.92545784 CG :: 33.50821663 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 6.980454048 HA :: 4.555478688 HB2 :: 2.077836982 HB3 :: 2.071801758 HG2 :: 2.306850968 HG3 :: 2.436724449 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.2031467 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.14 K 0.13 Q 0.12 E 0.11 I 0.09 H 0.09 R 0.08 L 0.02 M 0.01 C Shift Assignments>> CA :: 58.59351283 CB :: 28.4480111 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.356688657 HA :: 3.961995188 HB2 :: 2.688462098 HB3 :: 2.853609026 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 127.3146537 Ave N Shift Values>> N :: 120.17(4.64) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.35 C Shift Assignments>> CA :: 65.02101598 CB :: 32.4513564 CG :: 27.42236166 CD :: 52.09017068 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.361623428 HB2 :: 2.050402766 HB3 :: 2.445392083 HG2 :: 2.111492087 HG3 :: 2.116245873 HD2 :: 4.006006826 HD3 :: 4.346375316 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.34 R 0.26 HN Overlap>> 1.C9 1.C9 C Shift Assignments>> CA :: 56.41205173 CB :: 32.1428819 CG :: 25.06039659 CD :: 27.80244989 CE :: 42.0574164 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.268756935 HA :: 4.326447923 HB2 :: 1.836011316 HG2 :: 1.461658243 HD2 :: 1.673728141 HD3 :: 1.617289854 HE2 :: 2.963584942 HE3 :: 2.963584942 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.0600826 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.4 R 0.06 L 0.01 V 0.01 C Shift Assignments>> CA :: 59.60893779 CB :: 29.37322316 CG :: 24.73113398 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.278898092 HA :: 3.101218312 HB2 :: 1.765508909 HG2 :: 1.272749224 HG3 :: 1.382023796 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.1670939 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 R 0.08 K 0.04 G 0.01 C Shift Assignments>> CA :: 59.73590394 CG :: 24.74364149 CD :: 32.02752651 CE :: 42.07562095 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.659036523 HA :: 3.780725816 HG2 :: 1.27617732 HG3 :: 1.386043347 HD2 :: 1.770220429 HD3 :: 1.814367907 HE2 :: 2.946736729 HE3 :: 2.957741804 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.3845699 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.23 Y 0.14 I 0.14 F 0.08 M 0.04 K 0.02 V 0.01 C Shift Assignments>> CA :: 59.13908662 CG :: 36.52440434 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.840581698 HA :: 4.071376694 HG2 :: 2.261384566 HG3 :: 2.257904295 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.6142259 Ave N Shift Values>> N :: 120.67(3.48) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.44 R 0.08 C Shift Assignments>> CA :: 57.72948595 CB :: 33.72784354 CG :: 24.70905618 CD :: 29.23036077 CE :: 42.22741544 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.580342692 HA :: 4.122963527 HB2 :: 1.701923702 HB3 :: 1.807068685 HG2 :: 1.379760914 HG3 :: 1.383933214 HD2 :: 1.66594567 HD3 :: 1.669339613 HE2 :: 2.98316226 HE3 :: 2.984660012 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.1776034 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.H22 1.H22 C Shift Assignments>> CA :: 66.27501661 CB :: 31.7881243 CG1 :: 22.50287082 CG2 :: 22.51110928 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.587272531 HA :: 3.697218402 HB :: 2.103953503 HG11 :: 0.8944896196 HG12 :: 0.8944896196 HG13 :: 0.8944896196 HG21 :: 0.8965446875 HG22 :: 0.8965446875 HG23 :: 0.8965446875 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.0288532 Ave N Shift Values>> N :: 121.14(4.54) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 W 0.08 I 0.08 V 0.05 T 0.05 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 HN Overlap>> 1.F77 1.F77 C Shift Assignments>> CA :: 59.54 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2210859 HA :: 3.863518655 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.4119403 Ave N Shift Values>> N :: 120.67(3.48) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.38 I 0.11 K 0.04 M 0.03 Q 0.02 C Shift Assignments>> CA :: 58.90651591 CB :: 30.03381139 CG :: 36.49152162 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.036267006 HA :: 4.131464484 HB2 :: 2.232104201 HB3 :: 2.240960083 HG2 :: 2.450686794 HG3 :: 2.450905651 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.5762054 Ave N Shift Values>> N :: 120.67(3.48) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 65.16682267 CB :: 69.32602716 CG2 :: 22.14612751 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.919600667 HA :: 4.170900971 HB :: 4.329947727 HG21 :: 1.388898665 HG22 :: 1.388898665 HG23 :: 1.388898665 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.6668428 Ave N Shift Values>> N :: 115.42(4.75) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.18 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> CA :: 58.87954726 CB :: 29.32013019 CG :: 36.76170556 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.998598971 HA :: 4.084285525 HB2 :: 2.050033707 HB3 :: 2.10267297 HG2 :: 2.25692754 HG3 :: 2.453082317 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.40051 Ave N Shift Values>> N :: 120.67(3.48) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.37 R 0.02 HN Overlap>> 1.L64 1.I17 1.L64 1.I17 C Shift Assignments>> CA :: 57.14742875 CB :: 42.06661901 CG :: 26.91130707 CD1 :: 23.98651188 CD2 :: 24.65081029 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.873063263 HA :: 4.160986924 HB2 :: 1.557271914 HB3 :: 1.766365469 HG :: 1.579425156 HD11 :: 0.8352194125 HD12 :: 0.8352194125 HD13 :: 0.8352194125 HD21 :: 0.8989930545 HD22 :: 0.8989930545 HD23 :: 0.8989930545 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.5223772 Ave N Shift Values>> N :: 121.86(3.9) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 I 0.25 C 0.21 F 0.19 E 0.05 C Shift Assignments>> CA :: 59.55167757 CB :: 38.05080282 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.873723457 HA :: 4.384117134 HB2 :: 3.055192544 HB3 :: 3.151721117 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.2470378 Ave N Shift Values>> N :: 120.52(4.2) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.35 R 0.04 HN Overlap>> 1.L62 1.L62 1.I17 1.I17 C Shift Assignments>> CA :: 56.54620298 CB :: 42.08222182 CG :: 26.86690881 CD1 :: 23.46134655 CD2 :: 25.22656819 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.968364496 HA :: 4.162681185 HB2 :: 1.557006162 HB3 :: 1.663482381 HG :: 1.722380845 HD11 :: 0.9195499629 HD12 :: 0.9195499629 HD13 :: 0.9195499629 HD21 :: 0.9368038192 HD22 :: 0.9368038192 HD23 :: 0.9368038192 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.5770027 Ave N Shift Values>> N :: 121.86(3.9) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.15 Y 0.13 C 0.12 F 0.12 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> CA :: 54.39934223 CB :: 38.65747475 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.135120968 HA :: 4.61219421 HB2 :: 2.82147484 HB3 :: 2.858653674 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.7454261 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.35 R 0.03 A 0.01 C Shift Assignments>> CA :: 56.42548526 CB :: 42.0863605 CG :: 26.80134222 CD1 :: 23.18037572 CD2 :: 25.10076533 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.04268625 HA :: 4.189399754 HB2 :: 1.504988956 HB3 :: 1.694836754 HG :: 1.705535488 HD11 :: 0.8280635474 HD12 :: 0.8280635474 HD13 :: 0.8280635474 HD21 :: 0.8724569537 HD22 :: 0.8724569537 HD23 :: 0.8724569537 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.0093265 Ave N Shift Values>> N :: 121.86(3.9) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 K 0.07 I 0.06 M 0.05 Q 0.04 C Shift Assignments>> CA :: 57.61086198 CB :: 29.88945772 CG :: 36.38387601 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.210190074 HA :: 4.130162638 HB2 :: 1.975166161 HB3 :: 1.967976128 HG2 :: 2.19926854 HG3 :: 2.195942226 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.8630286 Ave N Shift Values>> N :: 120.67(3.48) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.4 G 0.06 K 0.05 C Shift Assignments>> CA :: 56.75166532 CB :: 30.5975514 CG :: 27.22091814 CD :: 43.36950483 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.968342732 HA :: 4.240385832 HB2 :: 1.795217969 HB3 :: 1.82123495 HG2 :: 1.529766246 HG3 :: 1.612102363 HD2 :: 3.106259502 HD3 :: 3.105132697 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.13098 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 61.78710831 CB :: 38.52008693 CG1 :: 27.42991776 CG2 :: 17.45723056 CD1 :: 13.07692541 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.001905562 HA :: 4.119196356 HB :: 1.898264886 HG12 :: 1.208551633 HG13 :: 1.472855318 HG21 :: 0.8967999345 HG22 :: 0.8967999345 HG23 :: 0.8967999345 HD11 :: 0.8390304956 HD12 :: 0.8390304956 HD13 :: 0.8390304956 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.0141578 Ave N Shift Values>> N :: 121.46(4.28) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.42092648 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.264067792 HA2 :: 3.885193948 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.5007544 Ave N Shift Values>> N :: 109.67(3.87) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.33896525 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.166916654 HA2 :: 3.742999746 HA3 :: 4.27490806 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.4549181 Ave N Shift Values>> N :: 109.67(3.87) 1.W72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 W 0.46 C Shift Assignments>> CA :: 57.27178571 CB :: 29.72678643 CG :: 108.5784314 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.953105427 HA :: 4.635175122 HB2 :: 3.199407637 HB3 :: 3.26202621 HE1 :: 10.11047757 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.3591816 NE1 :: 129.3917017 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.07488394 CB :: 63.83872297 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.034342563 HA :: 4.31213381 HB2 :: 3.631229241 HB3 :: 3.649421349 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.1636509 Ave N Shift Values>> N :: 116.28(3.52) 1.H74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 Q 0.2 C 0.18 K 0.16 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> CA :: 54.03500602 CB :: 33.48610573 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.152071333 HA :: 4.555523623 HB2 :: 2.305468196 HB3 :: 2.437031705 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.1625208 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 63.3491671 CB :: 32.12452473 CG :: 27.41514469 CD :: 50.66862958 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.32977699 HB2 :: 1.747245631 HB3 :: 2.203753571 HG2 :: 1.954523536 HG3 :: 1.953746691 HD2 :: 3.475906224 HD3 :: 3.690347834 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.24 M 0.07 E 0.06 R 0.03 C Shift Assignments>> CA :: 56.01772793 CB :: 29.4697132 CG :: 33.68620375 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.584354112 HA :: 4.219711745 HB2 :: 1.86367402 HB3 :: 1.929053216 HG2 :: 2.168504135 HG3 :: 2.208795707 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.5624605 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.08 I 0.07 N 0.03 HN Overlap>> 1.K2 1.E58 1.K2 1.E58 C Shift Assignments>> CA :: 57.34972199 CB :: 39.70783897 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.164579674 HA :: 4.668638695 HB2 :: 2.983230275 HB3 :: 3.183582936 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.3513498 Ave N Shift Values>> N :: 120.45(4.18) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.13 Q 0.05 K 0.04 I 0.02 C Shift Assignments>> CA :: 56.61130012 CB :: 30.56435473 CG :: 36.25972399 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.321053818 HA :: 4.262673446 HB2 :: 1.888054575 HB3 :: 2.033052515 HG2 :: 2.221837809 HG3 :: 2.22113776 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.6684459 Ave N Shift Values>> N :: 120.67(3.48) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.23 C Shift Assignments>> CA :: 57.72772183 CB :: 31.92190768 CG :: 24.93232812 CD :: 28.09543509 CE :: 42.05389012 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.901449862 HA :: 4.280195525 HB2 :: 1.930882435 HB3 :: 2.120170772 HG2 :: 1.740871929 HG3 :: 1.743659926 HD2 :: 1.813401803 HD3 :: 1.850950833 HE2 :: 3.075470559 HE3 :: 3.071868879 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.1143379 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 78 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 79 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 0 C Shift Results: #Consistent: 244 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 490 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 74 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P32 HG2 = 0.4756412872(S), Expected = 1.93, Std = 0.3100, ChiSquare = 2.7124e-06