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: Consistent PRTL>> M 0.6 C 0.38 E 0.01 C Shift Assignments>> C :: 174.73 CA :: 54.94 CB :: 32.97 CG :: 32.38 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 :: 8.37 HA :: 4.49 HB3 :: 2.01 HG2 :: 2.31 HG3 :: 2.55 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 :: 121.89 Ave N Shift Values>> N :: 120.09(3.57) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.3 M 0.28 C Shift Assignments>> C :: 175.34 CA :: 55.81 CB :: 32.06 CG :: 36.24 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 :: 7.98 HA :: 4.42 HB2 :: 2.00 HB3 :: 1.86 HG2 :: 2.26 HG3 :: 2.18 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 :: 121.33 Ave N Shift Values>> N :: 120.67(3.48) 1.V3 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.37 CA :: 62.40 CB :: 31.96 CG1 :: 23.04 CG2 :: 20.81 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 :: 6.96 HA :: 3.69 HB :: 0.41(S) HG11 :: 0.50 HG12 :: 0.50 HG13 :: 0.50 HG21 :: -0.18(S) HG22 :: -0.18(S) HG23 :: -0.18(S) 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 :: 123.75 Ave N Shift Values>> N :: 121.14(4.54) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.38 R 0.04 C Shift Assignments>> C :: 174.71 CA :: 55.09 CB :: 34.62 CG :: 24.48 CD :: 29.20 CE :: 41.80 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 :: 7.69 HA :: 4.46 HB2 :: 1.61 HB3 :: 1.75 HG2 :: 1.40 HG3 :: 1.30 HD3 :: 1.60 HE3 :: 2.89 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 :: 128.30 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.15 CA :: 61.57 CB :: 40.84 CG1 :: 28.55 CG2 :: 17.97 CD1 :: 15.29 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 :: 8.40 HA :: 4.55 HB :: 1.61 HG12 :: 1.32 HG13 :: 0.68 HG21 :: 0.82 HG22 :: 0.82 HG23 :: 0.82 HD11 :: 0.81 HD12 :: 0.81 HD13 :: 0.81 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 :: 125.35 Ave N Shift Values>> N :: 121.46(4.28) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 M 0.11 E 0.05 C Shift Assignments>> C :: 173.91 CA :: 54.20 CB :: 34.37 CG :: 36.90 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 :: 9.17 HA :: 4.80 HB3 :: 2.06 HG2 :: 2.05 HG3 :: 2.19 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 :: 127.81 Ave N Shift Values>> N :: 120.67(3.48) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.25 R 0.21 G 0.05 C Shift Assignments>> C :: 174.91 CA :: 52.42 CB :: 32.06 CG :: 24.74 CD :: 28.87 CE :: 42.66 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 :: 8.61 HA :: 5.35 HB3 :: 1.88 HG2 :: 1.48 HG3 :: 1.58 HD2 :: 1.70 HD3 :: 1.85 HE2 :: 3.06 HE3 :: 2.97 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 :: 122.73 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 176.74 CA :: 62.28 CB :: 32.34 CG :: 27.91 CD :: 51.15 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 :: 4.81 HB2 :: 2.06 HB3 :: 1.96 HG2 :: 2.05 HG3 :: 1.95 HD2 :: 3.94 HD3 :: 4.50 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.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.3 C Shift Assignments>> C :: 173.72 CA :: 59.66 CB :: 68.62 CG2 :: 22.54 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 :: 7.91 HA :: 4.69 HB :: 4.82 HG21 :: 1.46 HG22 :: 1.46 HG23 :: 1.46 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 :: 111.85 Ave N Shift Values>> N :: 115.42(4.75) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 179.95 CA :: 65.54 CB :: 31.79 CG :: 28.15 CD :: 50.42 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 :: 4.12 HB2 :: 1.90 HB3 :: 2.38 HG2 :: 2.25 HG3 :: 2.05 HD3 :: 3.93 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.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.37 E 0.16 K 0.01 C Shift Assignments>> C :: 178.70 CA :: 60.51 CB :: 28.83 CG :: 37.25 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 :: 8.62 HA :: 3.93 HB2 :: 1.93 HB3 :: 2.07 HG2 :: 2.45 HG3 :: 2.25 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 :: 117.67 Ave N Shift Values>> N :: 120.67(3.48) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.4 R 0.17 C Shift Assignments>> C :: 178.30 CA :: 58.37 CB :: 31.56 CG :: 24.46 CD :: 28.61 CE :: 41.97 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 :: 7.82 HA :: 4.12 HB2 :: 1.96 HB3 :: 1.91 HG2 :: 1.30 HG3 :: 1.41 HD2 :: 1.75 HD3 :: 1.69 HE2 :: 2.90 HE3 :: 2.85 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 :: 123.92 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.43 R 0.01 C Shift Assignments>> C :: 179.96 CA :: 57.87 CB :: 41.28 CG :: 26.47 CD1 :: 25.35 CD2 :: 22.33 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 :: 7.66 HA :: 3.60 HB2 :: 1.71 HB3 :: 1.06 HG :: 1.40 HD11 :: 0.44 HD12 :: 0.44 HD13 :: 0.44 HD21 :: 0.07 HD22 :: 0.07 HD23 :: 0.07 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 :: 117.53 Ave N Shift Values>> N :: 121.86(3.9) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.12 HN Overlap>> 1.K70 1.K70 C Shift Assignments>> C :: 179.53 CA :: 59.01 CB :: 32.20 CG :: 24.85 CD :: 28.97 CE :: 42.15 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 :: 7.63 HA :: 4.03 HB3 :: 1.88 HG2 :: 1.48 HG3 :: 1.42 HD3 :: 1.66 HE3 :: 2.95 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 :: 119.62 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.38 I 0.12 K 0.06 M 0.03 HN Overlap>> 1.K57 1.K57 C Shift Assignments>> C :: 178.60 CA :: 59.20 CB :: 29.84 CG :: 36.20 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 :: 8.02 HA :: 3.97 HB3 :: 2.17 HG2 :: 2.38 HG3 :: 2.21 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 :: 122.60 Ave N Shift Values>> N :: 120.67(3.48) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 C 0.3 G 0.2 R 0.13 C Shift Assignments>> C :: 176.46 CA :: 55.61 CB :: 43.99 CG :: 27.02 CD1 :: 22.70 CD2 :: 26.15 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 :: 7.77 HA :: 4.17 HB3 :: 1.49 HG :: 1.79 HD11 :: 0.92 HD12 :: 0.92 HD13 :: 0.92 HD21 :: 0.74 HD22 :: 0.74 HD23 :: 0.74 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 :: 117.79 Ave N Shift Values>> N :: 121.86(3.9) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.80 CA :: 58.47 CB :: 61.77 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.59 HA :: 3.98 HB2 :: 4.04 HB3 :: 3.96 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 :: 111.51 Ave N Shift Values>> N :: 116.28(3.52) 1.V18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.72 C 0.26 C Shift Assignments>> C :: 175.79 CA :: 63.41 CB :: 31.08 CG2 :: 21.32 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 :: 6.57 HA :: 1.18(S) HB :: 0.96 HG21 :: -0.04 HG22 :: -0.04 HG23 :: -0.04 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 :: 115.06 Ave N Shift Values>> N :: 121.14(4.54) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 K 0.12 I 0.12 R 0.01 HN Overlap>> 1.D54 1.D54 C Shift Assignments>> C :: 177.23 CA :: 57.69 CB :: 28.32 CG :: 36.03 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 :: 8.28 HA :: 3.42 HB3 :: 1.86 HG2 :: 2.05 HG3 :: 2.11 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 :: 115.36 Ave N Shift Values>> N :: 120.67(3.48) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.33 R 0.21 G 0.01 C Shift Assignments>> C :: 177.41 CA :: 55.75 CB :: 32.69 CG :: 25.59 CD :: 29.12 CE :: 42.37 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 :: 7.55 HA :: 4.41 HB2 :: 2.12 HB3 :: 1.96 HG2 :: 1.47 HG3 :: 1.43 HD2 :: 1.73 HD3 :: 1.70 HE3 :: 3.03 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 :: 118.13 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 K 0.16 C 0.15 R 0.13 W 0.12 L 0.1 E 0.08 M 0.03 C Shift Assignments>> C :: 175.32 CA :: 54.01 CB :: 28.45 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 :: 8.08 HA :: 5.04 HB2 :: 3.70 HB3 :: 3.53 HD1 :: 6.90 HE1 :: 9.38 HE3 :: 7.11 HZ2 :: 7.42 HZ3 :: 6.91 HH2 :: 6.94 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 :: 124.95 NE1 :: 127.53 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 173.79 CA :: 63.07 CB :: 32.59 CG :: 26.97 CD :: 50.47 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 :: 4.64 HB2 :: 2.37 HB3 :: 1.89 HG2 :: 1.77 HG3 :: 1.26 HD2 :: 4.10 HD3 :: 3.71 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.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.49 C Shift Assignments>> C :: 176.45 CA :: 59.28 CB :: 41.05 CG1 :: 28.43 CG2 :: 17.80 CD1 :: 13.20 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 :: 8.21 HA :: 5.52 HB :: 1.67 HG12 :: 1.64 HG13 :: 0.54 HG21 :: 0.77 HG22 :: 0.77 HG23 :: 0.77 HD11 :: 0.63 HD12 :: 0.63 HD13 :: 0.63 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 :: 118.63 Ave N Shift Values>> N :: 121.46(4.28) 1.W24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.23 K 0.18 E 0.14 H 0.03 R 0.03 Y 0.02 V 0.02 W 0.02 F 0.01 C Shift Assignments>> C :: 173.98 CA :: 56.77 CB :: 34.65 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 :: 9.27 HA :: 5.00 HB2 :: 2.73 HB3 :: 3.16 HD1 :: 7.28 HE1 :: 9.90 HE3 :: 6.66 HZ2 :: 6.82 HZ3 :: 6.93 HH2 :: 7.07 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 :: 130.59 NE1 :: 131.37 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.19 E 0.07 C Shift Assignments>> C :: 173.54 CA :: 53.96 CB :: 34.04 CG :: 36.47 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 :: 7.91 HA :: 5.27 HB3 :: 1.81 HG2 :: 2.09 HG3 :: 2.02 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 :: 126.50 Ave N Shift Values>> N :: 120.67(3.48) 1.K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.71 K 0.19 R 0.04 G 0.04 C Shift Assignments>> C :: 173.24 CA :: 54.88 CB :: 37.13 CG :: 24.01 CD :: 27.98 CE :: 42.40 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 :: 8.15 HA :: 3.88 HB2 :: 1.30 HB3 :: 0.20(S) HG2 :: 1.76 HG3 :: 1.23 HD2 :: 1.57 HD3 :: 1.09 HE2 :: 2.54 HE3 :: 2.37 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 :: 121.55 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.31 K 0.18 M 0.11 I 0.01 C Shift Assignments>> C :: 175.16 CA :: 55.52 CB :: 29.81 CG :: 35.37 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 :: 8.67 HA :: 4.22 HB3 :: 2.16 HG2 :: 2.41 HG3 :: 2.20 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 :: 125.90 Ave N Shift Values>> N :: 120.67(3.48) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 176.69 CA :: 66.04 CB :: 31.50 CG1 :: 20.44 CG2 :: 22.06 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 :: 8.06 HA :: 3.67 HB :: 1.97 HG11 :: 1.11 HG12 :: 1.11 HG13 :: 1.11 HG21 :: 0.93 HG22 :: 0.93 HG23 :: 0.93 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 :: 120.75 Ave N Shift Values>> N :: 121.14(4.54) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.46 CA :: 58.70 CB :: 64.14 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.85 HA :: 4.73 HB2 :: 4.51 HB3 :: 3.90 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 :: 119.47 Ave N Shift Values>> N :: 116.28(3.52) 1.E30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 M 0.21 E 0.13 C Shift Assignments>> C :: 175.67 CA :: 55.47 CB :: 33.63 CG :: 36.61 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 :: 8.57 HA :: 5.72(S) HB3 :: 2.07 HG2 :: 2.33 HG3 :: 2.23 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 :: 118.74 Ave N Shift Values>> N :: 120.67(3.48) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 D 0.16 C 0.11 L 0.11 N 0.07 I 0.03 K 0.01 C Shift Assignments>> C :: 172.82 CA :: 56.41 CB :: 39.85 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 :: 8.69 HA :: 5.06 HB2 :: 3.26 HB3 :: 3.49 HD1 :: 7.12 HE1 :: 6.82 HZ :: 6.71 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 :: 120.23 Ave N Shift Values>> N :: 120.45(4.18) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.26 D 0.15 K 0.06 F 0.05 C 0.04 G 0.04 Y 0.03 N 0.01 C Shift Assignments>> C :: 175.73 CA :: 54.64 CB :: 43.17 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 :: 8.79 HA :: 5.44 HB2 :: 2.63 HB3 :: 2.80 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 :: 121.83 Ave N Shift Values>> N :: 120.65(3.86) 1.W33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.2 K 0.19 E 0.11 V 0.04 R 0.03 H 0.03 W 0.02 Y 0.02 I 0.01 C Shift Assignments>> C :: 173.16 CA :: 57.59 CB :: 34.43 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 :: 9.37 HA :: 4.50 HB3 :: 2.65 HD1 :: 7.44 HE1 :: 9.35 HE3 :: 6.47 HZ2 :: 6.88 HZ3 :: 6.57 HH2 :: 6.95 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 :: 123.13 NE1 :: 130.43 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 F 0.15 Y 0.12 N 0.08 K 0.07 C 0.07 I 0.01 C Shift Assignments>> C :: 173.75 CA :: 55.36 CB :: 40.71 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 :: 7.01 HA :: 5.25 HB2 :: 2.81 HB3 :: 2.48 HD1 :: 6.81 HE1 :: 6.66 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 :: 127.21 Ave N Shift Values>> N :: 120.52(4.2) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.21 I 0.16 Y 0.15 F 0.09 M 0.03 K 0.01 V 0.01 C Shift Assignments>> C :: 174.46 CA :: 59.34 CB :: 36.66 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 :: 7.99 HA :: 4.12 HB2 :: 3.29 HB3 :: 2.78 HD1 :: 7.14 HE1 :: 6.68 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 :: 127.85 Ave N Shift Values>> N :: 120.52(4.2) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.2 F 0.13 Y 0.1 K 0.09 N 0.08 C 0.06 C Shift Assignments>> C :: 175.35 CA :: 55.09 CB :: 40.89 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 :: 8.15 HA :: 4.29 HB2 :: 2.71 HB3 :: 2.54 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 :: 126.25 Ave N Shift Values>> N :: 120.65(3.86) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 173.30 CA :: 59.86 CB :: 71.24 CG2 :: 20.38 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 :: 7.78 HA :: 4.28 HB :: 4.19 HG21 :: 1.12 HG22 :: 1.12 HG23 :: 1.12 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 :: 110.51 Ave N Shift Values>> N :: 115.42(4.75) 1.N38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.4 D 0.23 F 0.09 Y 0.08 C 0.08 L 0.07 C Shift Assignments>> C :: 175.78 CA :: 53.67 CB :: 39.32 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 :: 7.82 HA :: 4.87 HB2 :: 1.88 HB3 :: 1.29(S) HD21 :: 6.91 HD22 :: 7.54 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 :: 116.84 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 M 0.11 E 0.07 HN Overlap>> 1.K77 1.K77 C Shift Assignments>> C :: 175.53 CA :: 55.56 CB :: 34.32 CG :: 36.81 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 :: 8.68 HA :: 5.29 HB3 :: 2.10 HG2 :: 2.25 HG3 :: 1.99 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 :: 123.14 Ave N Shift Values>> N :: 120.67(3.48) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 173.37 CA :: 61.56 CB :: 70.94 CG2 :: 23.00 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 :: 8.93 HA :: 6.02 HB :: 3.86 HG21 :: 1.46 HG22 :: 1.46 HG23 :: 1.46 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 :: 125.03 Ave N Shift Values>> N :: 115.42(4.75) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 K 0.2 C 0.18 R 0.1 H 0.1 W 0.06 E 0.03 C Shift Assignments>> C :: 171.88 CA :: 54.86 CB :: 32.92 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 10.32 HA :: 6.31 HB2 :: 3.80 HB3 :: 3.15 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 :: 122.58 Ave N Shift Values>> N :: 120.17(4.64) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.25 D 0.13 K 0.11 F 0.07 C 0.04 Y 0.04 G 0.02 C Shift Assignments>> C :: 175.07 CA :: 55.55 CB :: 42.89 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 :: 9.60 HA :: 5.88 HB2 :: 2.91 HB3 :: 2.74 HD1 :: 6.85 HE1 :: 6.75 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 :: 122.87 Ave N Shift Values>> N :: 120.52(4.2) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 I 0.03 C Shift Assignments>> C :: 174.87 CA :: 59.56 CB :: 34.68 CG1 :: 25.95 CG2 :: 18.18 CD1 :: 9.25 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 :: 8.36 HA :: 4.05 HB :: 2.24 HG12 :: 1.70 HG13 :: 1.18 HG21 :: 0.56 HG22 :: 0.56 HG23 :: 0.56 HD11 :: 0.70 HD12 :: 0.70 HD13 :: 0.70 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 :: 127.83 Ave N Shift Values>> N :: 121.46(4.28) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.3 G 0.22 R 0.05 C Shift Assignments>> C :: 177.29 CA :: 56.92 CB :: 44.35 CG :: 27.05 CD1 :: 25.71 CD2 :: 23.82 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 :: 8.62 HA :: 4.11 HB3 :: 1.66 HG :: 1.77 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 HD21 :: 1.19 HD22 :: 1.19 HD23 :: 1.19 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 :: 131.56 Ave N Shift Values>> N :: 121.86(3.9) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 M 0.16 E 0.07 C Shift Assignments>> C :: 174.00 CA :: 55.40 CB :: 34.38 CG :: 35.93 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 :: 7.79 HA :: 4.42 HB2 :: 2.14 HB3 :: 1.93 HG3 :: 2.26 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 :: 113.98 Ave N Shift Values>> N :: 120.67(3.48) 1.G46 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>> C :: 172.26 CA :: 45.30 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.63 HA2 :: 4.55 HA3 :: 3.46 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.49 Ave N Shift Values>> N :: 109.67(3.87) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.29 K 0.2 C Shift Assignments>> C :: 174.88 CA :: 56.63 CB :: 36.66 CG :: 25.67 CD :: 29.73 CE :: 42.07 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 :: 7.33 HA :: 5.11 HB2 :: 1.80 HB3 :: 1.55 HG2 :: 1.24 HG3 :: 1.42 HD3 :: 1.63 HE3 :: 2.84 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 :: 117.39 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.23 C Shift Assignments>> C :: 173.60 CA :: 60.02 CB :: 36.76 CG1 :: 21.62 CG2 :: 21.61 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 :: 9.33 HA :: 4.97 HB :: 1.63 HG11 :: 0.39 HG12 :: 0.39 HG13 :: 0.39 HG21 :: 0.90 HG22 :: 0.90 HG23 :: 0.90 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 :: 126.84 Ave N Shift Values>> N :: 121.14(4.54) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.24 E 0.16 C Shift Assignments>> C :: 175.83 CA :: 54.62 CB :: 32.93 CG :: 37.12 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 :: 9.03 HA :: 5.17 HB3 :: 1.99 HG2 :: 2.16 HG3 :: 1.99 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 :: 125.76 Ave N Shift Values>> N :: 120.67(3.48) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 175.43 CA :: 60.80 CB :: 34.34 CG1 :: 21.53 CG2 :: 20.39 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 :: 9.56 HA :: 4.98 HB :: 1.90 HG11 :: 0.84 HG12 :: 0.84 HG13 :: 0.84 HG21 :: 0.09 HG22 :: 0.09 HG23 :: 0.09 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 :: 131.17 Ave N Shift Values>> N :: 121.14(4.54) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 176.44 CA :: 60.75 CB :: 70.51 CG2 :: 21.16 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 :: 9.00 HA :: 5.63 HB :: 4.02 HG21 :: 1.26 HG22 :: 1.26 HG23 :: 1.26 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 :: 122.73 Ave N Shift Values>> N :: 115.42(4.75) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 C 0.42 C Shift Assignments>> C :: 176.89 CA :: 61.76 CB :: 70.53 CG2 :: 23.68 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 :: 9.63 HA :: 4.76 HB :: 5.01 HG21 :: 1.58 HG22 :: 1.58 HG23 :: 1.58 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 :: 119.76 Ave N Shift Values>> N :: 115.42(4.75) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.37 I 0.13 K 0.06 M 0.02 C Shift Assignments>> C :: 176.63 CA :: 59.36 CB :: 29.80 CG :: 36.23 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 :: 8.59 HA :: 4.18 HB2 :: 2.20 HB3 :: 2.24 HG3 :: 2.39 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 :: 122.48 Ave N Shift Values>> N :: 120.67(3.48) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.24 L 0.15 F 0.09 Y 0.07 C 0.06 K 0.02 HN Overlap>> 1.E19 1.E19 C Shift Assignments>> C :: 176.47 CA :: 53.77 CB :: 40.35 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 :: 8.24 HA :: 4.71 HB2 :: 2.71 HB3 :: 2.89 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 :: 115.44 Ave N Shift Values>> N :: 120.65(3.86) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.65 CA :: 45.80 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.13 HA2 :: 4.23 HA3 :: 3.61 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.53 Ave N Shift Values>> N :: 109.67(3.87) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.37 R 0.19 G 0.01 C Shift Assignments>> C :: 174.73 CA :: 56.55 CB :: 33.01 CG :: 25.51 CD :: 29.11 CE :: 42.34 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 :: 7.56 HA :: 4.22 HB2 :: 1.92 HB3 :: 1.56 HG2 :: 1.32 HG3 :: 1.20 HD3 :: 1.69 HE3 :: 2.95 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 :: 122.23 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.38 R 0.14 HN Overlap>> 1.E15 1.E15 C Shift Assignments>> C :: 175.48 CA :: 54.98 CB :: 35.52 CG :: 25.12 CD :: 29.39 CE :: 41.98 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 :: 7.94 HA :: 5.33 HB3 :: 1.55 HG3 :: 1.28 HD3 :: 1.55 HE3 :: 2.86 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 :: 122.53 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.2 F 0.16 D 0.14 Y 0.12 C 0.07 R 0.04 I 0.01 N 0.01 C Shift Assignments>> C :: 174.52 CA :: 56.64 CB :: 41.53 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 :: 9.31 HA :: 4.69 HB2 :: 2.75 HB3 :: 2.51 HD1 :: 6.96 HE1 :: 6.81 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 :: 124.10 Ave N Shift Values>> N :: 120.52(4.2) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.11 CA :: 62.22 CB :: 32.80 CG1 :: 21.40 CG2 :: 21.43 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 :: 8.54 HA :: 4.82 HB :: 1.97 HG11 :: 0.83 HG12 :: 0.83 HG13 :: 0.83 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 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 :: 124.55 Ave N Shift Values>> N :: 121.14(4.54) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 I 0.01 C Shift Assignments>> C :: 173.72 CA :: 59.67 CB :: 40.88 CG1 :: 27.10 CG2 :: 13.98 CD1 :: 17.95 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 :: 8.95 HA :: 4.64 HB :: 1.60 HG12 :: 1.28 HG13 :: 0.84 HG21 :: 0.41 HG22 :: 0.41 HG23 :: 0.41 HD11 :: 0.59 HD12 :: 0.59 HD13 :: 0.59 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 :: 126.27 Ave N Shift Values>> N :: 121.46(4.28) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 M 0.14 E 0.02 C Shift Assignments>> C :: 173.78 CA :: 54.04 CB :: 34.83 CG :: 35.11 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 :: 9.43 HA :: 5.10 HB2 :: 2.06 HB3 :: 2.02 HG2 :: 2.22 HG3 :: 2.13 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 :: 124.23 Ave N Shift Values>> N :: 120.67(3.48) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.41 R 0.04 G 0.01 C Shift Assignments>> C :: 176.63 CA :: 58.22 CB :: 33.51 CG :: 24.05 CD :: 30.13 CE :: 42.31 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 :: 7.38 HA :: 3.53 HB3 :: 1.78 HG2 :: 1.46 HG3 :: 1.21 HD2 :: 1.84 HD3 :: 1.77 HE3 :: 3.13 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 :: 118.58 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.79 CA :: 44.72 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.04 HA2 :: 4.45 HA3 :: 3.69 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.78 Ave N Shift Values>> N :: 109.67(3.87) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.19 D 0.19 R 0.1 F 0.09 Y 0.06 C 0.05 N 0.02 C Shift Assignments>> C :: 174.55 CA :: 55.31 CB :: 42.06 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 :: 8.07 HA :: 5.10 HB2 :: 2.30 HB3 :: 2.78 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 :: 121.65 Ave N Shift Values>> N :: 120.65(3.86) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.21 L 0.2 C Shift Assignments>> C :: 175.80 CA :: 53.72 CB :: 45.84 CG :: 27.30 CD1 :: 26.87 CD2 :: 24.76 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 :: 9.15 HA :: 5.67 HB2 :: 1.15 HB3 :: 2.13 HG :: 1.52 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 HD21 :: 0.95 HD22 :: 0.95 HD23 :: 0.95 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 :: 124.03 Ave N Shift Values>> N :: 121.86(3.9) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 175.17 CA :: 60.54 CB :: 34.55 CG1 :: 22.38 CG2 :: 22.25 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 :: 9.73 HA :: 5.06 HB :: 2.04 HG11 :: 0.79 HG12 :: 0.79 HG13 :: 0.79 HG21 :: -0.01 HG22 :: -0.01 HG23 :: -0.01 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 :: 131.16 Ave N Shift Values>> N :: 121.14(4.54) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.11 CA :: 61.87 CB :: 70.97 CG2 :: 20.75 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 :: 8.94 HA :: 5.45 HB :: 3.85 HG21 :: 1.15 HG22 :: 1.15 HG23 :: 1.15 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 :: 122.28 Ave N Shift Values>> N :: 115.42(4.75) 1.F68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.28 D 0.27 F 0.11 L 0.11 Y 0.1 C 0.08 C Shift Assignments>> C :: 172.89 CA :: 54.20 CB :: 39.72 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 :: 9.69 HA :: 4.53 HB2 :: 2.15 HB3 :: 1.37(S) HD1 :: 6.69 HE1 :: 6.81 HZ :: 6.58 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 :: 129.39 Ave N Shift Values>> N :: 120.45(4.18) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 P 0.48 C Shift Assignments>> C :: 174.19 CA :: 61.19 CB :: 32.38 CG :: 27.02 CD :: 50.80 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 :: 4.66 HB2 :: 2.08 HB3 :: 1.93 HG2 :: 1.89 HG3 :: 2.09 HD2 :: 3.49 HD3 :: 3.74 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.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.07 HN Overlap>> 1.K14 1.K14 C Shift Assignments>> C :: 177.93 CA :: 57.25 CB :: 33.04 CG :: 24.45 CD :: 30.23 CE :: 42.21 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 :: 7.63 HA :: 3.47 HB2 :: 1.45 HB3 :: 1.35 HG3 :: 1.08 HD3 :: 1.59 HE3 :: 2.97 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 :: 119.70 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.27 R 0.19 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 174.06 CA :: 44.27 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.37 HA2 :: 4.39 HA3 :: 3.60 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.31 Ave N Shift Values>> N :: 109.67(3.87) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.27 K 0.21 R 0.04 G 0.04 C Shift Assignments>> C :: 174.66 CA :: 56.17 CB :: 43.08 CG :: 27.79 CD2 :: 24.49 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 :: 7.69 HA :: 4.44 HB2 :: 2.20 HB3 :: 1.60 HG :: 1.01 HD21 :: 1.17 HD22 :: 1.17 HD23 :: 1.17 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 :: 123.46 Ave N Shift Values>> N :: 121.86(3.9) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.27 K 0.26 G 0.07 C Shift Assignments>> C :: 175.59 CA :: 55.49 CB :: 32.47 CG :: 28.99 CD :: 43.34 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 :: 8.57 HA :: 5.34 HB2 :: 1.88 HB3 :: 2.01 HG2 :: 1.86 HG3 :: 1.72 HD3 :: 3.22 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 :: 127.67 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.C74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.2 C 0.17 R 0.12 H 0.11 W 0.08 E 0.06 V 0.01 C Shift Assignments>> C :: 170.97 CA :: 56.13 CB :: 32.59 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.09 HA :: 5.47 HB2 :: 3.11 HB3 :: 2.77 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 :: 118.05 Ave N Shift Values>> N :: 120.17(4.64) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.33 G 0.15 K 0.07 C Shift Assignments>> C :: 175.65 CA :: 55.43 CB :: 33.48 CG :: 27.58 CD :: 43.77 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 :: 9.05 HA :: 5.22 HB2 :: 1.79 HB3 :: 1.88 HG3 :: 1.55 HD3 :: 3.20 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 :: 121.53 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.W76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.17 W 0.16 E 0.15 R 0.15 H 0.14 K 0.08 M 0.07 V 0.03 I 0.01 C Shift Assignments>> C :: 174.28 CA :: 58.09 CB :: 30.74 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 :: 9.35 HA :: 4.43 HB2 :: 2.25 HB3 :: 1.81(S) HD1 :: 7.07 HE1 :: 8.69 HE3 :: 7.33 HZ2 :: 6.83 HZ3 :: 7.11 HH2 :: 6.94 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 :: 127.83 NE1 :: 127.42 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.31 R 0.31 G 0.01 HN Overlap>> 1.E39 1.E39 C Shift Assignments>> C :: 174.99 CA :: 55.74 CB :: 34.79 CG :: 25.77 CD :: 30.15 CE :: 42.26 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 :: 8.68 HA :: 4.85 HB2 :: 2.16 HB3 :: 1.60 HG2 :: 1.37 HG3 :: 1.18 HD3 :: 1.71 HE3 :: 2.91 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 :: 123.11 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V78 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>> C :: 175.36 CA :: 63.98 CB :: 32.51 CG1 :: 22.97 CG2 :: 22.13 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 :: 9.28 HA :: 4.12 HB :: 2.56 HG11 :: 0.98 HG12 :: 0.98 HG13 :: 0.98 HG21 :: 1.40 HG22 :: 1.40 HG23 :: 1.40 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 :: 128.51 Ave N Shift Values>> N :: 121.14(4.54) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.29 R 0.14 G 0.1 C Shift Assignments>> C :: 177.66 CA :: 56.31 CB :: 43.63 CG :: 27.27 CD1 :: 25.88 CD2 :: 23.13 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 :: 8.72 HA :: 4.42 HB2 :: 1.50 HB3 :: 1.72 HG :: 1.77 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 HD21 :: 0.86 HD22 :: 0.86 HD23 :: 0.86 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 :: 130.01 Ave N Shift Values>> N :: 121.86(3.9) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.39 E 0.2 C Shift Assignments>> C :: 172.87 CA :: 53.62 CB :: 32.16 CG :: 36.00 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 :: 8.04 HA :: 4.66 HB2 :: 1.68 HB3 :: 2.13 HG2 :: 2.18 HG3 :: 2.37 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 :: 119.78 Ave N Shift Values>> N :: 120.67(3.48) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 175.53 CA :: 64.85 CB :: 32.42 CG :: 28.01 CD :: 50.74 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 :: 4.11 HB2 :: 2.29 HB3 :: 1.91 HG2 :: 2.23 HG3 :: 2.06 HD3 :: 3.71 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.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.14 C Shift Assignments>> C :: 175.08 CA :: 58.90 CB :: 35.72 CG1 :: 23.43 CG2 :: 22.29 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 :: 8.40 HA :: 5.25 HB :: 2.13 HG11 :: 1.37 HG12 :: 1.37 HG13 :: 1.37 HG21 :: 1.33 HG22 :: 1.33 HG23 :: 1.33 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 :: 123.07 Ave N Shift Values>> N :: 121.14(4.54) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.22 R 0.15 G 0.11 C Shift Assignments>> C :: 175.09 CA :: 55.71 CB :: 34.30 CG :: 28.70 CD :: 43.47 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 :: 8.26 HA :: 5.28 HB2 :: 1.74 HB3 :: 1.66 HG2 :: 1.50 HG3 :: 1.62 HD2 :: 3.15 HD3 :: 3.21 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 :: 126.12 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.K84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.7 R 0.23 K 0.05 C Shift Assignments>> C :: 174.69 CA :: 53.95 CB :: 37.09 CG :: 25.94 CD :: 30.88 CE :: 41.31 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 :: 9.80 HA :: 5.88(S) HB2 :: 2.12 HB3 :: 1.76 HG2 :: 2.10 HG3 :: 1.37 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 :: 123.00 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.25 K 0.22 C 0.19 R 0.1 H 0.09 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 177.41 CA :: 55.89 CB :: 33.10 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 :: 8.99 HA :: 6.07(S) HB2 :: 3.73 HB3 :: 3.14 HD2 :: 7.08 HE1 :: 7.79 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 :: 122.85 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.26 F 0.08 C 0.06 G 0.06 D 0.05 K 0.05 Y 0.05 C Shift Assignments>> C :: 171.02 CA :: 56.80 CB :: 43.50 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 :: 9.15 HA :: 5.96 HB2 :: 3.08 HB3 :: 2.68 HD1 :: 6.83 HE1 :: 6.66 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 :: 121.32 Ave N Shift Values>> N :: 120.52(4.2) 1.N87 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> N 0.46 D 0.28 L 0.08 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 173.63 CA :: 51.97 CB :: 39.89 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 :: 8.81 HA :: 4.39 HB2 :: 0.01(A) HB3 :: 1.43(S) 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 :: 119.21 ND2 :: 111.39 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.28 R 0.04 C Shift Assignments>> C :: 176.88 CA :: 53.77 CB :: 41.64 CG :: 27.25 CD1 :: 22.67 CD2 :: 25.56 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 :: 7.96 HA :: 5.22 HB2 :: 1.76 HB3 :: 1.58 HG :: 1.82 HD11 :: 0.95 HD12 :: 0.95 HD13 :: 0.95 HD21 :: 1.06 HD22 :: 1.06 HD23 :: 1.06 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 :: 126.23 Ave N Shift Values>> N :: 121.86(3.9) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 D 0.17 L 0.16 C 0.09 K 0.08 N 0.03 I 0.02 C Shift Assignments>> C :: 174.65 CA :: 56.63 CB :: 40.65 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 :: 8.07 HA :: 4.95 HB3 :: 3.05 HD1 :: 7.13 HE1 :: 7.40 HZ :: 7.13 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 :: 119.01 Ave N Shift Values>> N :: 120.45(4.18) ########################################################################### Overall Results: #Consistent: 79 #Clerical: 0 #Suspicious: 9 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 89 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 89 #Suspicious: 0 C Shift Results: #Consistent: 388 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 602 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 1 N Shift Results: #Consistent: 89 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V3 HB = 0.41(S), Expected = 1.98, Std = 0.3200, ChiSquare = 9.2834e-07 1.V3 HG21 = -0.18(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.6526e-04 1.V3 HG22 = -0.18(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.6526e-04 1.V3 HG23 = -0.18(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.6526e-04 1.V18 HA = 1.18(S), Expected = 4.19, Std = 0.5800, ChiSquare = 2.1068e-07 1.K26 HB3 = 0.20(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.1723e-08 1.E30 HA = 5.72(S), Expected = 4.25, Std = 0.4100, ChiSquare = 3.3661e-04 1.N38 HB3 = 1.29(S), Expected = 2.75, Std = 0.3300, ChiSquare = 9.6781e-06 1.F68 HB3 = 1.37(S), Expected = 2.93, Std = 0.4000, ChiSquare = 9.6193e-05 1.W76 HB3 = 1.81(S), Expected = 3.12, Std = 0.3600, ChiSquare = 2.7382e-04 1.K84 HA = 5.88(S), Expected = 4.27, Std = 0.4400, ChiSquare = 2.5311e-04 1.H85 HA = 6.07(S), Expected = 4.61, Std = 0.4300, ChiSquare = 6.8541e-04 1.N87 HB2 = 0.01(A), Expected = 2.81, Std = 0.3100, ChiSquare = 1.6817e-19 1.N87 HB3 = 1.43(S), Expected = 2.75, Std = 0.3300, ChiSquare = 6.3342e-05