Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.I1 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.95 I 0.04 C Shift Assignments>> C :: 167.5(S) CA :: 57.7 CB :: 36.7 CG1 :: 26.3 CG2 :: 14.0 CD1 :: 11.5 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>> HA :: 3.85 HB :: 1.96 HG12 :: 0.74 HG13 :: 1.44 HG21 :: 0.56 HG22 :: 0.56 HG23 :: 0.56 HD11 :: 0.6 HD12 :: 0.6 HD13 :: 0.6 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) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.23 C 0.07 L 0.05 F 0.03 Y 0.03 C Shift Assignments>> C :: 172.9 CA :: 51.3 CB :: 39.6 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 :: 8.37 HA :: 5.28 HB2 :: 2.28 HB3 :: 2.55 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 :: 128.7 Ave N Shift Values>> N :: 120.65(3.86) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.24 A 0.01 C Shift Assignments>> C :: 173.4 CA :: 58.8 CB :: 33.1 CG1 :: 19.6 CG2 :: 19.7 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 :: 8.86 HA :: 4.34 HB :: 1.47 HG11 :: 1.18 HG12 :: 1.18 HG13 :: 1.18 HG21 :: -0.05 HG22 :: -0.05 HG23 :: -0.05 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 :: 124.3 Ave N Shift Values>> N :: 121.14(4.54) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 C 0.12 L 0.06 C Shift Assignments>> C :: 175.0 CA :: 52.8 CB :: 40.8 CG :: 24.8 CD1 :: 23.2 CD2 :: 20.5 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 :: 8.97 HA :: 4.84 HB2 :: 1.46 HB3 :: 1.96 HG :: 1.87 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 HD21 :: 0.83 HD22 :: 0.83 HD23 :: 0.83 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 :: 126.0 Ave N Shift Values>> N :: 121.86(3.9) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.43 A 0.02 C Shift Assignments>> C :: 173.4 CA :: 51.9 CB :: 39.3 CG :: 24.8 CD1 :: 24.9 CD2 :: 25.0 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 :: 8.61 HA :: 4.08 HB2 :: 0.83 HB3 :: 2.31 HG :: 1.58 HD11 :: 0.88 HD12 :: 0.88 HD13 :: 0.88 HD21 :: 0.79 HD22 :: 0.79 HD23 :: 0.79 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 :: 119.8 Ave N Shift Values>> N :: 121.86(3.9) 1.G6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.41 K 0.18 D 0.13 F 0.1 Y 0.06 C 0.04 I 0.02 G 0.01 C Shift Assignments>> C :: 170.9 CA :: 42.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.04 HA2 :: 3.83 HA3 :: 5.22(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.0 Ave N Shift Values>> N :: 109.67(3.87) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 G 0.09 M 0.01 C 0.01 C Shift Assignments>> C :: 176.9 CA :: 48.8 CB :: 19.1 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.24 HA :: 4.53 HB1 :: 1.5 HB2 :: 1.5 HB3 :: 1.5 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.1 Ave N Shift Values>> N :: 123.23(3.54) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 Y 0.19 C 0.17 F 0.15 D 0.08 E 0.06 L 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 175.3 CA :: 55.4 CB :: 38.1 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 :: 8.96 HA :: 4.23 HB2 :: 2.58 HB3 :: 2.7 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 :: 119.5 Ave N Shift Values>> N :: 120.65(3.86) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 C 0.12 D 0.06 Y 0.03 F 0.03 M 0.01 L 0.01 E 0.01 C Shift Assignments>> C :: 175.1 CA :: 51.4 CB :: 37.8 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 :: 7.67 HA :: 4.46 HB2 :: 2.57 HB3 :: 3.08 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 :: 115.2 Ave N Shift Values>> N :: 120.65(3.86) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 K 0.16 D 0.13 F 0.1 Y 0.06 C 0.04 G 0.02 I 0.02 C Shift Assignments>> C :: 172.5 CA :: 42.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.24 HA2 :: 3.33 HA3 :: 4.27 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.5 Ave N Shift Values>> N :: 109.67(3.87) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.2 CA :: 58.2 CB :: 61.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.07 HA :: 4.13 HB2 :: 3.75 HB3 :: 3.8 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 :: 115.8 Ave N Shift Values>> N :: 116.28(3.52) 1.L12 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 C 0.14 C Shift Assignments>> C :: 171.4 CA :: 51.6 CB :: 36.9 CG :: 23.2 CD1 :: 23.4 CD2 :: 20.2 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 :: 8.57 HA :: 4.07 HB2 :: 0.98 HB3 :: 1.79 HG :: 1.6 HD11 :: 0.59 HD12 :: 0.59 HD13 :: 0.59 HD21 :: 0.35 HD22 :: 0.35 HD23 :: 0.35 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 :: 126.1 Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 G 0.33 C 0.02 C Shift Assignments>> C :: 174.8 CA :: 48.4 CB :: 20.4 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1 HA :: 4.72 HB1 :: 1.19 HB2 :: 1.19 HB3 :: 1.19 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4 Ave N Shift Values>> N :: 123.23(3.54) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 F 0.32 C Shift Assignments>> C :: 174.3 CA :: 56.2 CB :: 38.7 CD1 :: 129.8 CD2 :: 129.8 CE1 :: 130.0 CE2 :: 130.0 CZ :: 127.2 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 :: 8.97 HA :: 5.00 HB2 :: 2.68 HB3 :: 3.21 HD1 :: 7.15 HD2 :: 7.15 HE1 :: 7.02 HE2 :: 7.02 HZ :: 7.1 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 :: 120.6 Ave N Shift Values>> N :: 120.45(4.18) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 A 0.1 C Shift Assignments>> CA :: 57.3 CB :: 32.3 CG1 :: 19.0 CG2 :: 17.2 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 :: 8.99 HA :: 4.59 HB :: 2.24 HG11 :: 0.97 HG12 :: 0.97 HG13 :: 0.97 HG21 :: 0.8 HG22 :: 0.8 HG23 :: 0.8 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 :: 121.4 Ave N Shift Values>> N :: 121.14(4.54) 1.P16 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.94 G 0.03 A 0.02 C Shift Assignments>> C :: 171.8 CA :: 61.6 CB :: 33.2 CG :: 22.1(S) CD :: 48.4 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 :: 5.1 HB2 :: 2.36 HB3 :: 2.64 HG2 :: 1.67 HG3 :: 1.93 HD2 :: 3.56 HD3 :: 3.78 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.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.5 CA :: 57.1 CB :: 62.8 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.18 HA :: 4.71 HB2 :: 4.5 HB3 :: 4.5 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 :: 107.4 Ave N Shift Values>> N :: 116.28(3.52) 1.E18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.28 C 0.25 M 0.21 K 0.12 E 0.12 C Shift Assignments>> C :: 173.7 CA :: 53.3 CB :: 30.3 CG :: 34.6 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 :: 7.55 HA :: 5.65(S) HB2 :: 2.00 HB3 :: 2.00 HG2 :: 2.23 HG3 :: 2.33 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 :: 119.7 Ave N Shift Values>> N :: 120.67(3.48) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 F 0.05 C Shift Assignments>> C :: 171.3 CA :: 54.3 CB :: 37.2 CD1 :: 129.0 CD2 :: 129.0 CE1 :: 130.0 CE2 :: 130.0 CZ :: 130.0 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 :: 7.68 HA :: 5.05 HB2 :: 3.1 HB3 :: 3.32 HD1 :: 6.75 HD2 :: 6.75 HE1 :: 7.02 HE2 :: 7.02 HZ :: 7.03 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 :: 118.9 Ave N Shift Values>> N :: 120.45(4.18) 1.S20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.5 CA :: 54.7 CB :: 64.2 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.68 HA :: 5.85(S) HB2 :: 3.83 HB3 :: 3.83 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 :: 115.2 Ave N Shift Values>> N :: 116.28(3.52) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 I 0.13 A 0.09 C Shift Assignments>> C :: 172.5 CA :: 57.5 CB :: 40.8 CG1 :: 23.7 CG2 :: 16.9 CD1 :: 11.9 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 :: 8.77 HA :: 4.84 HB :: 2.11 HG12 :: 0.76 HG13 :: 1.25 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 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 :: 115.0 Ave N Shift Values>> N :: 121.46(4.28) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> CA :: 54.8 CB :: 61.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.29 HA :: 5.28 HB2 :: 3.74 HB3 :: 3.98 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 :: 116.6 Ave N Shift Values>> N :: 116.28(3.52) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.81 P 0.12 G 0.05 C Shift Assignments>> C :: 176.2 CA :: 62.5 CB :: 29.5 CG :: 26.4 CD :: 48.3 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 :: 4.13 HB2 :: 1.9 HB3 :: 2.38 HG2 :: 1.75 HG3 :: 2.14 HD2 :: 3.63 HD3 :: 4.07 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.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 D 0.12 K 0.09 F 0.09 G 0.06 Y 0.05 C 0.05 I 0.01 C Shift Assignments>> C :: 171.9 CA :: 43.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.14 HA2 :: 3.37 HA3 :: 4.22 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.7 Ave N Shift Values>> N :: 109.67(3.87) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.26 C 0.24 E 0.1 M 0.02 C Shift Assignments>> C :: 172.6 CA :: 54.6 CB :: 28.7 CG :: 34.4 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 :: 7.86 HA :: 4.15 HB2 :: 2.12 HB3 :: 2.17 HG2 :: 2.22 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 :: 122.7 Ave N Shift Values>> N :: 120.67(3.48) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 A 0.16 K 0.02 C Shift Assignments>> C :: 173.9 CA :: 53.9 CB :: 31.9 CG :: 23.0 CD :: 27.3 CE :: 39.7 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 :: 8.08 HA :: 4.36 HB2 :: 1.49 HB3 :: 1.58 HG2 :: 1.18 HG3 :: 1.28 HD2 :: 1.49 HD3 :: 1.49 HE2 :: 2.8 HE3 :: 2.8 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 :: 121.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 I 0.34 HN Overlap>> 1.K77 1.K77 C Shift Assignments>> C :: 172.6 CA :: 58.8 CB :: 37.3 CG1 :: 25.2 CG2 :: 15.9 CD1 :: 12.9 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 :: 8.89 HA :: 4.09 HB :: 1.45 HG12 :: 0.59 HG13 :: 1.72 HG21 :: -0.26(S) HG22 :: -0.26(S) HG23 :: -0.26(S) HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 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 :: 124.5 Ave N Shift Values>> N :: 121.46(4.28) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 V 0.04 I 0.01 C Shift Assignments>> C :: 172.9 CA :: 59.7 CB :: 29.3 CG1 :: 19.4 CG2 :: 18.4 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 :: 8.49 HA :: 4.1 HB :: 2.34 HG11 :: 0.77 HG12 :: 0.77 HG13 :: 0.77 HG21 :: 0.71 HG22 :: 0.71 HG23 :: 0.71 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 :: 126.7 Ave N Shift Values>> N :: 121.14(4.54) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 F 0.14 C Shift Assignments>> C :: 173.7 CA :: 55.5 CB :: 37.0 CD1 :: 130.0 CD2 :: 130.0 CE1 :: 128.9 CE2 :: 128.9 CZ :: 127.2 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 :: 9.02 HA :: 5.24 HB2 :: 2.87 HB3 :: 3.54 HD1 :: 7.27 HD2 :: 7.27 HE1 :: 6.78 HE2 :: 6.78 HZ :: 5.82 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 :: 126.6 Ave N Shift Values>> N :: 120.45(4.18) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 A 0.43 C Shift Assignments>> C :: 173.9 CA :: 52.8 CB :: 33.5 CG :: 22.3 CD :: 27.5 CE :: 39.8 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 :: 9.25 HA :: 4.78 HB2 :: 1.49 HB3 :: 1.72 HG2 :: 1.19 HG3 :: 1.27 HD2 :: 1.55 HD3 :: 1.55 HE2 :: 2.81 HE3 :: 2.81 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 :: 123.0 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N31 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> N 0.53 C 0.18 M 0.06 E 0.06 Y 0.05 F 0.03 D 0.03 K 0.01 C Shift Assignments>> C :: 174.9 CA :: 52.6 CB :: 36.9 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 :: 9.11 HA :: 5.07 HB2 :: 2.83 HB3 :: 2.83 HD21 :: 5.06(S) HD22 :: 6.52 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 :: 126.4 ND2 :: 105.2(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (HD21 > HA : 0.9966) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.18 L 0.17 F 0.11 Y 0.09 C 0.07 K 0.03 C Shift Assignments>> C :: 171.1 CA :: 54.4 CB :: 40.4 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 :: 9.17 HA :: 5.25 HB2 :: 2.4 HB3 :: 3.56 HD21 :: 7.72 HD22 :: 8.00 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 :: 128.5 ND2 :: 116.2 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.02 M 0.01 L 0.01 C Shift Assignments>> C :: 175.6 CA :: 50.7 CB :: 20.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.15 HA :: 4.52 HB1 :: 1.31 HB2 :: 1.31 HB3 :: 1.31 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 123.23(3.54) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.21 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 169.7 CA :: 44.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.79 HA2 :: 3.49 HA3 :: 3.58 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.3 Ave N Shift Values>> N :: 109.67(3.87) 1.F35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.96 G 0.03 C Shift Assignments>> CA :: 49.7 CB :: 34.7 CD1 :: 129.0 CD2 :: 129.0 CE1 :: 130.0 CE2 :: 130.0 CZ :: 129.2 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 :: 5.72(S) HA :: 3.17 HB2 :: 3.17 HB3 :: 3.17 HD1 :: 6.77 HD2 :: 6.77 HE1 :: 7.25 HE2 :: 7.25 HZ :: 7.42 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 :: 114.1 Ave N Shift Values>> N :: 120.45(4.18) 1.P36 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.96 A 0.03 C Shift Assignments>> C :: 171.8 CA :: 60.8 CB :: 35.6 CG :: 23.1(S) CD :: 50.1 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 :: 5.14 HB2 :: 1.93 HB3 :: 2.45 HG2 :: 1.94 HG3 :: 1.94 HD2 :: 3.54 HD3 :: 3.83 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.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 Y 0.28 H 0.04 C Shift Assignments>> C :: 173.2 CA :: 52.8 CB :: 36.4 CD2 :: 117.8 CE1 :: 136.3 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 :: 7.54 HA :: 5.82 HB2 :: 2.7 HB3 :: 3.48 HD2 :: 7.72 HE1 :: 7.16 HE2 :: 11.53 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 :: 116.0 NE2 :: 161.7 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.14 C 0.08 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> C :: 168.6(S) CA :: 51.6 CB :: 38.7 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 :: 10.01 HA :: 4.26 HB2 :: 3.06 HB3 :: 3.17 HD21 :: 5.83 HD22 :: 7.29 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 :: 121.5 ND2 :: 106.8 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 171.5 CA :: 59.3 CB :: 37.6 CG1 :: 26.2 CG2 :: 16.9 CD1 :: 13.4 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 :: 6.38 HA :: 4.35 HB :: 1.19 HG12 :: 0.16 HG13 :: 0.72 HG21 :: -0.03 HG22 :: -0.03 HG23 :: -0.03 HD11 :: 0.39 HD12 :: 0.39 HD13 :: 0.39 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 :: 114.0 Ave N Shift Values>> N :: 121.46(4.28) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.15 A 0.01 HN Overlap>> 1.E43 1.E43 C Shift Assignments>> C :: 172.6 CA :: 58.8 CB :: 33.3 CG1 :: 20.1 CG2 :: 18.4 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 :: 8.81 HA :: 3.98 HB :: 0.99 HG11 :: 0.8 HG12 :: 0.8 HG13 :: 0.8 HG21 :: 0.6 HG22 :: 0.6 HG23 :: 0.6 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 :: 125.6 Ave N Shift Values>> N :: 121.14(4.54) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 F 0.25 C Shift Assignments>> C :: 173.1 CA :: 55.7 CB :: 38.0 CD1 :: 130.5 CD2 :: 130.5 CE1 :: 129.8 CE2 :: 129.8 CZ :: 126.0 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 :: 8.54 HA :: 4.64 HB2 :: 2.75 HB3 :: 2.85 HD1 :: 7.33 HD2 :: 7.33 HE1 :: 7.15 HE2 :: 7.15 HZ :: 6.68 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 :: 122.0 Ave N Shift Values>> N :: 120.45(4.18) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.34 L 0.11 C 0.06 F 0.04 Y 0.03 K 0.01 C Shift Assignments>> C :: 175.1 CA :: 51.8 CB :: 40.4 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 :: 8.45 HA :: 4.66 HB2 :: 2.55 HB3 :: 2.95 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 :: 120.8 Ave N Shift Values>> N :: 120.65(3.86) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.32 K 0.26 M 0.03 E 0.02 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> C :: 174.5 CA :: 56.9 CB :: 27.7 CG :: 33.3 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 :: 8.76 HA :: 4.01 HB2 :: 2.12 HB3 :: 2.23 HG2 :: 2.35 HG3 :: 2.43 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 :: 125.5 Ave N Shift Values>> N :: 120.67(3.48) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.25 L 0.08 F 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 175.0 CA :: 53.3 CB :: 39.5 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 :: 8.38 HA :: 4.85 HB2 :: 2.73 HB3 :: 2.86 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 :: 117.5 Ave N Shift Values>> N :: 120.65(3.86) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.9 CA :: 54.7 CB :: 62.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.19 HA :: 4.79 HB2 :: 3.71 HB3 :: 4.11 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 :: 116.3 Ave N Shift Values>> N :: 116.28(3.52) 1.I46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 A 0.14 I 0.01 C Shift Assignments>> CA :: 56.8 CB :: 37.6 CG1 :: 22.0(S) CG2 :: 17.1 CD1 :: 13.1 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 :: 7.14 HA :: 5.04 HB :: 1.74 HG12 :: 1.35 HG13 :: 1.35 HG21 :: 1.36 HG22 :: 1.36 HG23 :: 1.36 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 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 :: 114.9 Ave N Shift Values>> N :: 121.46(4.28) 1.P47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.87 G 0.06 P 0.06 C Shift Assignments>> C :: 173.9 CA :: 61.1 CB :: 30.2 CG :: 27.2 CD :: 48.0 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 :: 4.3 HB2 :: 1.47 HB3 :: 2.36 HG2 :: 1.22 HG3 :: 1.41 HD2 :: 2.13(S) HD3 :: 2.7 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.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9 CA :: 57.8 CB :: 61.2 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3 HA :: 4.25 HB2 :: 3.86 HB3 :: 3.88 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 :: 115.3 Ave N Shift Values>> N :: 116.28(3.52) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 D 0.11 F 0.09 K 0.08 G 0.08 C 0.05 Y 0.05 I 0.01 C Shift Assignments>> C :: 172.2 CA :: 43.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.77 HA2 :: 3.67 HA3 :: 4.22 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.5 Ave N Shift Values>> N :: 109.67(3.87) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.4 C Shift Assignments>> C :: 172.3 CA :: 60.3 CB :: 30.6 CG1 :: 20.2 CG2 :: 20.6 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 :: 7.43 HA :: 3.94 HB :: 2.02 HG11 :: 0.89 HG12 :: 0.89 HG13 :: 0.89 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 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 :: 120.8 Ave N Shift Values>> N :: 121.14(4.54) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.16 C 0.09 L 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 175.2 CA :: 50.3 CB :: 39.2 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 :: 8.34 HA :: 4.87 HB2 :: 2.62 HB3 :: 2.88 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 :: 126.6 Ave N Shift Values>> N :: 120.65(3.86) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.45 C 0.01 C Shift Assignments>> C :: 177.8 CA :: 53.0 CB :: 16.6 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.36 HA :: 3.81 HB1 :: 1.53 HB2 :: 1.53 HB3 :: 1.53 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.6 Ave N Shift Values>> N :: 123.23(3.54) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7 CA :: 59.6 CB :: 61.1 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7 HA :: 4.32 HB2 :: 4.03 HB3 :: 4.08 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 :: 114.1 Ave N Shift Values>> N :: 116.28(3.52) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 K 0.04 A 0.04 C Shift Assignments>> C :: 175.9 CA :: 55.0 CB :: 31.1 CG :: 23.5 CD :: 26.5 CE :: 40.3 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 :: 4.43 HB2 :: 1.97 HB3 :: 2.09 HG2 :: 1.44 HG3 :: 1.59 HD2 :: 1.74 HD3 :: 1.74 HE2 :: 3.05 HE3 :: 3.05 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 :: 118.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 I 0.07 C Shift Assignments>> C :: 170.0 CA :: 59.1 CB :: 36.2 CG1 :: 24.0 CG2 :: 15.7 CD1 :: 11.5 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 :: 7.03 HA :: 4.61 HB :: 1.84 HG12 :: 1.00 HG13 :: 1.14 HG21 :: 0.66 HG22 :: 0.66 HG23 :: 0.66 HD11 :: -0.07 HD12 :: -0.07 HD13 :: -0.07 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 :: 109.4 Ave N Shift Values>> N :: 121.46(4.28) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.3 CA :: 56.2 CB :: 64.9 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.69 HA :: 5.05 HB2 :: 3.76 HB3 :: 4.4 HG :: 5.76 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 :: 110.2 Ave N Shift Values>> N :: 116.28(3.52) 1.M57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.9 M 0.07 A 0.01 C Shift Assignments>> C :: 174.5 CA :: 55.0 CB :: 31.3 CG :: 29.4 CE :: 13.8 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 :: 8.36 HA :: 4.06 HB2 :: 1.44 HB3 :: 2.12 HG2 :: 1.16(S) HG3 :: 1.72 HE1 :: 1.85 HE2 :: 1.85 HE3 :: 1.85 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 :: 122.6 Ave N Shift Values>> N :: 120.09(3.57) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1 CA :: 56.5 CB :: 61.6 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.67 HA :: 4.39 HB2 :: 3.89 HB3 :: 3.98 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 :: 116.3 Ave N Shift Values>> N :: 116.28(3.52) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.3 K 0.2 E 0.07 I 0.02 M 0.01 C Shift Assignments>> C :: 175.0 CA :: 57.8 CB :: 27.6 CG :: 34.1 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 :: 8.66 HA :: 3.83 HB2 :: 2.07 HB3 :: 2.07 HG2 :: 2.38 HG3 :: 2.38 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 :: 122.5 Ave N Shift Values>> N :: 120.67(3.48) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 C 0.28 K 0.24 E 0.05 M 0.02 C Shift Assignments>> C :: 174.1 CA :: 54.4 CB :: 27.9 CG :: 34.1 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 :: 8.21 HA :: 4.19 HB2 :: 1.88 HB3 :: 2.13 HG2 :: 2.24 HG3 :: 2.24 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 :: 113.9 Ave N Shift Values>> N :: 120.67(3.48) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.33 L 0.11 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 172.0 CA :: 51.9 CB :: 40.3 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 :: 7.66 HA :: 4.73 HB2 :: 2.62 HB3 :: 2.69 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 :: 122.1 Ave N Shift Values>> N :: 120.65(3.86) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 A 0.38 C 0.06 L 0.04 C Shift Assignments>> C :: 174.2 CA :: 51.8 CB :: 44.4 CG :: 24.6 CD1 :: 23.5 CD2 :: 21.3 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 :: 7.9 HA :: 4.56 HB2 :: 1.22 HB3 :: 1.58 HG :: 1.46 HD11 :: 0.8 HD12 :: 0.8 HD13 :: 0.8 HD21 :: 0.64 HD22 :: 0.64 HD23 :: 0.64 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 :: 118.8 Ave N Shift Values>> N :: 121.86(3.9) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 C 0.16 C Shift Assignments>> C :: 175.3 CA :: 52.4 CB :: 38.9 CG :: 24.1 CD1 :: 20.8 CD2 :: 24.3 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 :: 8.95 HA :: 4.53 HB2 :: 1.14 HB3 :: 1.83 HG :: 1.46 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 HD21 :: 0.64 HD22 :: 0.64 HD23 :: 0.64 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 :: 120.3 Ave N Shift Values>> N :: 121.86(3.9) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.29 L 0.1 F 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 172.2 CA :: 53.3 CB :: 39.8 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 :: 8.45 HA :: 4.64 HB2 :: 2.63 HB3 :: 2.73 HD21 :: 6.7 HD22 :: 7.55 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 :: 124.2 ND2 :: 112.7 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 G 0.43 C 0.01 C Shift Assignments>> C :: 175.4 CA :: 48.2 CB :: 19.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.12 HA :: 4.24 HB1 :: 1.23 HB2 :: 1.23 HB3 :: 1.23 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 123.23(3.54) 1.K66 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 K 0.16 L 0.01 C Shift Assignments>> C :: 175.2 CA :: 56.8 CB :: 30.4 CG :: 23.4 CD :: 27.7 CE :: 40.5 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 :: 8.57 HA :: 3.22 HB2 :: 1.81 HB3 :: 1.81 HG2 :: 1.59 HG3 :: 1.64 HD2 :: 1.85 HD3 :: 1.93 HE2 :: 3.18 HE3 :: 3.3 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 :: 125.2 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE3 : 0.9935) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 D 0.11 G 0.1 F 0.09 K 0.06 C 0.05 Y 0.05 I 0.01 C Shift Assignments>> C :: 172.1 CA :: 43.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.72 HA2 :: 3.52 HA3 :: 4.43 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.6 Ave N Shift Values>> N :: 109.67(3.87) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.29 Q 0.1 M 0.1 K 0.09 I 0.01 C Shift Assignments>> C :: 174.1 CA :: 56.1 CB :: 30.1 CG :: 35.9 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 :: 7.31 HA :: 4.35 HB2 :: 2.02 HB3 :: 2.2 HG2 :: 2.39 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 :: 120.3 Ave N Shift Values>> N :: 120.67(3.48) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 A 0.31 T 0.3 C Shift Assignments>> C :: 172.4 CA :: 57.3 CB :: 71.5 CG2 :: 20.1 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 :: 8.32 HA :: 5.91 HB :: 4.07 HG21 :: 1.11 HG22 :: 1.11 HG23 :: 1.11 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 :: 110.2 Ave N Shift Values>> N :: 115.42(4.75) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 C 0.46 G 0.01 C Shift Assignments>> C :: 171.5 CA :: 55.8 CB :: 41.8 CD1 :: 129.7 CD2 :: 129.7 CE1 :: 130.0 CE2 :: 130.0 CZ :: 128.2 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 :: 8.79 HA :: 4.96 HB2 :: 2.77 HB3 :: 3.35 HD1 :: 7.21 HD2 :: 7.21 HE1 :: 7.3 HE2 :: 7.3 HZ :: 6.94 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 :: 121.1 Ave N Shift Values>> N :: 120.45(4.18) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 C 0.3 Q 0.22 E 0.07 K 0.06 C Shift Assignments>> C :: 173.0 CA :: 52.0 CB :: 30.7 CG :: 34.6 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 :: 7.92 HA :: 5.54 HB2 :: 1.7 HB3 :: 1.77 HG2 :: 2.02 HG3 :: 2.15 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 :: 126.1 Ave N Shift Values>> N :: 120.67(3.48) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.11 A 0.03 C Shift Assignments>> C :: 170.4 CA :: 58.2 CB :: 33.7 CG1 :: 19.5 CG2 :: 18.8 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 :: 8.57 HA :: 4.24 HB :: 1.79 HG11 :: 0.97 HG12 :: 0.97 HG13 :: 0.97 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 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 :: 119.6 Ave N Shift Values>> N :: 121.14(4.54) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 G 0.22 M 0.02 C 0.01 C Shift Assignments>> C :: 174.0 CA :: 48.5 CB :: 18.6 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.31 HA :: 4.92 HB1 :: 1.03 HB2 :: 1.03 HB3 :: 1.03 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.6 Ave N Shift Values>> N :: 123.23(3.54) 1.L74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.88 C 0.09 L 0.01 C Shift Assignments>> C :: 174.3 CA :: 51.4 CB :: 41.4 CG :: 24.3 CD1 :: 20.8 CD2 :: 23.0 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 :: 4.5 HB2 :: 0.92 HB3 :: 1.46 HG :: 1.19 HD11 :: 0.24 HD12 :: 0.24 HD13 :: 0.24 HD21 :: -0.23(S) HD22 :: -0.23(S) HD23 :: -0.23(S) 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 :: 120.2 Ave N Shift Values>> N :: 121.86(3.9) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.6 CA :: 57.5 CB :: 63.0 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.71 HA :: 4.42 HB2 :: 3.72 HB3 :: 3.72 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 :: 114.8 Ave N Shift Values>> N :: 116.28(3.52) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.29 M 0.17 E 0.07 Q 0.04 K 0.04 Y 0.02 F 0.01 C Shift Assignments>> C :: 174.2 CA :: 51.9 CB :: 35.7 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 :: 7.95 HA :: 4.64 HB2 :: 2.47 HB3 :: 2.68 HD21 :: 7.06 HD22 :: 7.41 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 :: 119.8 ND2 :: 112.7 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 K 0.33 HN Overlap>> 1.I27 1.I27 C Shift Assignments>> C :: 173.8 CA :: 56.1 CB :: 31.6 CG :: 24.5 CD :: 27.8 CE :: 40.4 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 :: 8.78 HA :: 4.03 HB2 :: 1.77 HB3 :: 1.91 HG2 :: 1.32 HG3 :: 1.67 HD2 :: 1.79 HD3 :: 1.79 HE2 :: 3.02 HE3 :: 3.07 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 :: 124.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 L 0.24 D 0.17 F 0.12 Y 0.07 C 0.03 I 0.03 N 0.02 C Shift Assignments>> C :: 169.8 CA :: 41.8 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.76 HA2 :: 3.86 HA3 :: 4.59 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9 Ave N Shift Values>> N :: 109.67(3.87) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.23 M 0.16 E 0.15 K 0.14 C Shift Assignments>> C :: 173.8 CA :: 54.0 CB :: 30.1 CG :: 34.7 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 :: 5.02 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 2.25 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 :: 119.0 Ave N Shift Values>> N :: 120.67(3.48) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Y 0.46 HN Overlap>> 1.S85 1.S85 C Shift Assignments>> C :: 173.4 CA :: 54.6 CB :: 37.9 CD1 :: 131.7 CD2 :: 131.7 CE1 :: 116.2 CE2 :: 116.2 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 :: 9.6 HA :: 5.44 HB2 :: 3.01 HB3 :: 3.71 HD1 :: 7.11 HD2 :: 7.11 HE1 :: 6.57 HE2 :: 6.57 HH :: 10.05 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 :: 122.5 Ave N Shift Values>> N :: 120.52(4.2) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.7 CA :: 56.4 CB :: 62.8 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3 HA :: 5.27 HB2 :: 4.00 HB3 :: 4.16 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 :: 118.4 Ave N Shift Values>> N :: 116.28(3.52) 1.F82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.93 F 0.06 C Shift Assignments>> C :: 171.6 CA :: 53.1 CB :: 38.9 CD1 :: 130.3 CD2 :: 130.3 CE1 :: 127.9 CE2 :: 127.9 CZ :: 126.0 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 :: 7.99 HA :: 5.3 HB2 :: 1.57(S) HB3 :: 1.92 HD1 :: 6.26 HD2 :: 6.26 HE1 :: 5.79(S) HE2 :: 5.79(S) HZ :: 6.92 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 :: 120.0 Ave N Shift Values>> N :: 120.45(4.18) 1.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 Y 0.27 C Shift Assignments>> C :: 169.2 CA :: 54.2 CB :: 39.0 CD1 :: 131.8 CD2 :: 131.8 CE1 :: 115.1 CE2 :: 115.1 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 :: 9.24 HA :: 5.31 HB2 :: 3.03 HB3 :: 3.28 HD1 :: 6.71 HD2 :: 6.71 HE1 :: 6.53 HE2 :: 6.53 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 :: 116.1 Ave N Shift Values>> N :: 120.52(4.2) 1.C84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 M 0.19 C 0.17 E 0.13 Q 0.13 K 0.13 C Shift Assignments>> C :: 176.4 CA :: 55.2 CB :: 31.1 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.8 HA :: 5.41 HB2 :: 2.91 HB3 :: 3.13 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 :: 123.2 Ave N Shift Values>> N :: 120.17(4.64) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 HN Overlap>> 1.Y80 1.Y80 C Shift Assignments>> CA :: 61.9 CB :: 59.0 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.56 HA :: 4.64 HB2 :: 4.12 HB3 :: 4.22 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 :: 122.6 Ave N Shift Values>> N :: 116.28(3.52) 1.P86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.85 G 0.11 P 0.02 C Shift Assignments>> C :: 177.6 CA :: 63.8 CB :: 28.5 CG :: 25.6 CD :: 48.3 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 :: 4.28 HB2 :: 1.11 HB3 :: 1.89 HG2 :: 1.51 HG3 :: 1.69 HD2 :: 3.35 HD3 :: 5.16(S) 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.H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 H 0.4 C Shift Assignments>> C :: 175.3 CA :: 54.1 CB :: 31.1 CD2 :: 114.1 CE1 :: 137.0 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 :: 8.37 HA :: 5.19 HB2 :: 3.44 HB3 :: 3.86 HD2 :: 7.12 HE1 :: 7.77 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 :: 115.5 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 K 0.26 Q 0.01 P 0.01 C Shift Assignments>> C :: 177.9 CA :: 58.7 CB :: 26.3 CG :: 31.0 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 :: 8.41 HA :: 3.96 HB2 :: 2.18 HB3 :: 2.5 HG2 :: 1.94 HG3 :: 2.13 HE21 :: 6.23 HE22 :: 6.84 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 :: 128.1 NE2 :: 110.4 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.35 C 0.05 F 0.05 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.6 CA :: 44.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.05 HA2 :: 3.84 HA3 :: 3.95 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.5 Ave N Shift Values>> N :: 109.67(3.87) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 175.8 CA :: 49.7 CB :: 17.4 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.56 HA :: 4.61 HB1 :: 1.61 HB2 :: 1.61 HB3 :: 1.61 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7 Ave N Shift Values>> N :: 123.23(3.54) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 D 0.11 G 0.1 F 0.09 K 0.06 C 0.05 Y 0.05 I 0.01 C Shift Assignments>> C :: 172.5 CA :: 43.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.98 HA2 :: 3.81 HA3 :: 4.52 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.1 Ave N Shift Values>> N :: 109.67(3.87) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 A 0.19 I 0.06 M 0.02 C Shift Assignments>> C :: 170.4 CA :: 55.4 CB :: 29.0 CG :: 35.5 CE :: 16.2 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 :: 7.63 HA :: 4.69 HB2 :: 1.41 HB3 :: 2.3 HG2 :: 1.73 HG3 :: 2.18 HE1 :: 0.56 HE2 :: 0.56 HE3 :: 0.56 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 :: 123.2 Ave N Shift Values>> N :: 120.09(3.57) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 A 0.04 V 0.01 C Shift Assignments>> C :: 173.2 CA :: 58.0 CB :: 34.3 CG1 :: 19.7 CG2 :: 16.9 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 :: 7.91 HA :: 5.14 HB :: 2.35 HG11 :: 1.05 HG12 :: 1.05 HG13 :: 1.05 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 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 :: 120.7 Ave N Shift Values>> N :: 121.14(4.54) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 D 0.11 G 0.1 F 0.09 K 0.06 C 0.05 Y 0.05 I 0.01 C Shift Assignments>> C :: 169.5 CA :: 43.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.32 HA2 :: 3.00 HA3 :: 4.46 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.3 Ave N Shift Values>> N :: 109.67(3.87) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 A 0.34 K 0.01 C Shift Assignments>> C :: 172.1 CA :: 53.7 CB :: 34.8 CG :: 22.3 CD :: 27.6 CE :: 39.9 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 :: 8.4 HA :: 5.04 HB2 :: 1.56 HB3 :: 1.61 HG2 :: 1.23 HG3 :: 1.33 HD2 :: 1.57 HD3 :: 1.57 HE2 :: 2.82 HE3 :: 2.82 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 :: 119.4 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 A 0.49 C Shift Assignments>> C :: 171.6 CA :: 54.9 CB :: 31.6 CG1 :: 18.0 CG2 :: 21.9 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 :: 9.06 HA :: 4.9 HB :: 1.3 HG11 :: 0.93 HG12 :: 0.93 HG13 :: 0.93 HG21 :: 0.58 HG22 :: 0.58 HG23 :: 0.58 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 :: 121.5 Ave N Shift Values>> N :: 121.14(4.54) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.6 C 0.34 S 0.03 A 0.01 C Shift Assignments>> C :: 171.2 CA :: 59.8 CB :: 68.3 CG2 :: 19.4 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 :: 8.28 HA :: 4.98 HB :: 3.96 HG21 :: 1.09 HG22 :: 1.09 HG23 :: 1.09 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 :: 124.1 Ave N Shift Values>> N :: 115.42(4.75) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.19 C Shift Assignments>> C :: 174.2 CA :: 59.2 CB :: 29.8 CG1 :: 21.1 CG2 :: 19.2 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 :: 9.29 HA :: 4.65 HB :: 2.48 HG11 :: 0.69 HG12 :: 0.69 HG13 :: 0.69 HG21 :: 0.6 HG22 :: 0.6 HG23 :: 0.6 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 :: 128.5 Ave N Shift Values>> N :: 121.14(4.54) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.3 L 0.11 F 0.08 Y 0.07 C 0.07 C Shift Assignments>> CA :: 53.4 CB :: 39.9 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 :: 8.7 HA :: 4.55 HB2 :: 2.63 HB3 :: 2.71 HD21 :: 6.75 HD22 :: 7.47 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 :: 131.9 ND2 :: 111.6 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.CU11 Overall Status: Residue type CU1 not supported. ########################################################################### Overall Results: #Consistent: 81 #Clerical: 0 #Suspicious: 15 #Anomalous: 0 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 96 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 97 #Suspicious: 2 C Shift Results: #Consistent: 420 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 H Shift Results: #Consistent: 651 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 0 N Shift Results: #Consistent: 100 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.I1 C = 167.5(S), Expected = 175.85, Std = 1.9200, ChiSquare = 1.3679e-05 1.G6 HA3 = 5.22(S), Expected = 3.90, Std = 0.3700, ChiSquare = 3.6031e-04 1.L12 Typing: Mistyped 1.P16 Typing: Mistyped 1.P16 CG = 22.1(S), Expected = 27.17, Std = 1.0900, ChiSquare = 3.2973e-06 1.E18 HA = 5.65(S), Expected = 4.25, Std = 0.4100, ChiSquare = 6.3868e-04 1.S20 HA = 5.85(S), Expected = 4.48, Std = 0.4000, ChiSquare = 6.1480e-04 1.I27 HG21 = -0.26(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.3629e-04 1.I27 HG22 = -0.26(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.3629e-04 1.I27 HG23 = -0.26(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.3629e-04 1.N31 HD21 = 5.06(S), Expected = 7.35, Std = 0.4800, ChiSquare = 1.8347e-06 1.N31 ND2 = 105.2(S), Expected = 112.75, Std = 2.2300, ChiSquare = 7.1010e-04 1.N31 SRO Rule Break>> HD21 > HA : 0.996566944580677 1.F35 H = 5.72(S), Expected = 8.36, Std = 0.7200, ChiSquare = 2.4573e-04 1.P36 Typing: Mistyped 1.P36 CG = 23.1(S), Expected = 27.17, Std = 1.0900, ChiSquare = 1.8850e-04 1.N38 C = 168.6(S), Expected = 175.27, Std = 1.7900, ChiSquare = 1.9434e-04 1.I46 CG1 = 22.0(S), Expected = 27.71, Std = 1.6800, ChiSquare = 6.7680e-04 1.P47 HD2 = 2.13(S), Expected = 3.65, Std = 0.3500, ChiSquare = 1.4064e-05 1.M57 HG2 = 1.16(S), Expected = 2.42, Std = 0.3500, ChiSquare = 3.1822e-04 1.K66 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.L74 HD21 = -0.23(S), Expected = 0.73, Std = 0.2900, ChiSquare = 9.3181e-04 1.L74 HD22 = -0.23(S), Expected = 0.73, Std = 0.2900, ChiSquare = 9.3181e-04 1.L74 HD23 = -0.23(S), Expected = 0.73, Std = 0.2900, ChiSquare = 9.3181e-04 1.F82 HB2 = 1.57(S), Expected = 3.00, Std = 0.3700, ChiSquare = 1.1115e-04 1.F82 HE1 = 5.79(S), Expected = 7.08, Std = 0.3100, ChiSquare = 3.1645e-05 1.F82 HE2 = 5.79(S), Expected = 7.08, Std = 0.3200, ChiSquare = 5.5481e-05 1.P86 HD3 = 5.16(S), Expected = 3.61, Std = 0.3900, ChiSquare = 7.0569e-05