Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.941 CA :: 45.233 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.2 C 0.18 Q 0.17 R 0.09 W 0.06 E 0.04 V 0.02 C Shift Assignments>> C :: 176.975 CA :: 56.575 CB :: 33.085 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 :: 8.254 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 :: 121.161 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.24 D 0.17 F 0.11 R 0.11 C 0.06 N 0.01 C Shift Assignments>> C :: 177.821 CA :: 55.937 CB :: 42.024 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 :: 8.363 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 :: 123.397 Ave N Shift Values>> N :: 121.86(3.9) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 W 0.17 R 0.16 C 0.15 Q 0.14 K 0.09 M 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 176.522 CA :: 57.267 CB :: 30.194 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 :: 8.500 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 :: 120.951 Ave N Shift Values>> N :: 120.67(3.48) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.14 F 0.12 N 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 176.923 CA :: 54.856 CB :: 41.197 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 :: 8.232 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 :: 120.928 Ave N Shift Values>> N :: 120.65(3.86) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 M 0.19 C 0.18 Q 0.12 R 0.11 W 0.08 E 0.06 V 0.02 HN Overlap>> 1.Q11 1.Q11 2.V45 2.V45 C Shift Assignments>> C :: 177.131 CA :: 56.638 CB :: 32.638 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 :: 8.273 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 :: 120.643 Ave N Shift Values>> N :: 120.09(3.57) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.17 C 0.15 R 0.14 Q 0.14 K 0.11 M 0.05 I 0.02 V 0.01 HN Overlap>> 2.V42 2.V42 C Shift Assignments>> C :: 177.242 CA :: 57.696 CB :: 29.920 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 :: 8.368 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 :: 120.997 Ave N Shift Values>> N :: 120.67(3.48) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 K 0.18 W 0.15 E 0.14 C 0.13 R 0.11 M 0.03 I 0.02 L 0.02 HN Overlap>> 1.M9 2.V45 1.M9 2.V45 C Shift Assignments>> C :: 176.767 CA :: 56.690 CB :: 29.011 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 :: 8.272 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.571 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.2 M 0.17 Q 0.15 R 0.09 W 0.07 E 0.04 V 0.04 C Shift Assignments>> C :: 177.235 CA :: 57.502 CB :: 32.996 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 :: 8.175 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 :: 121.856 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.17 C 0.15 R 0.15 Q 0.14 K 0.11 M 0.05 I 0.02 V 0.01 C Shift Assignments>> C :: 177.144 CA :: 57.474 CB :: 29.910 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 :: 8.331 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 :: 121.451 Ave N Shift Values>> N :: 120.67(3.48) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 64.055 CB :: 69.213 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 :: 8.274 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.799 Ave N Shift Values>> N :: 115.42(4.75) 1.S15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.23 W 0.19 E 0.13 R 0.1 I 0.09 Q 0.07 K 0.07 V 0.05 M 0.02 C Shift Assignments>> C :: 178.939 CA :: 59.940 CB :: 29.971 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) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 P 0.15 C 0.09 I 0.02 C Shift Assignments>> C :: 177.015 CA :: 67.035 CB :: 31.560 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 :: 8.026 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 :: 117.367 Ave N Shift Values>> N :: 121.14(4.54) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 C 0.2 I 0.17 L 0.07 D 0.06 N 0.01 K 0.01 HN Overlap>> 2.W41 2.W41 C Shift Assignments>> C :: 179.212 CA :: 58.336 CB :: 39.784 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 :: 7.822 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 :: 120.962 Ave N Shift Values>> N :: 120.65(3.86) 1.W19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 I 0.23 W 0.13 V 0.13 P 0.07 E 0.04 R 0.04 K 0.03 Q 0.02 C Shift Assignments>> C :: 178.374 CA :: 61.871 CB :: 29.801 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 :: 8.047 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 :: 118.874 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.14 F 0.02 C Shift Assignments>> C :: 177.779 CA :: 65.372 CB :: 38.336 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 :: 8.681 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.523 Ave N Shift Values>> N :: 121.46(4.28) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.14 V 0.02 F 0.01 C Shift Assignments>> C :: 176.592 CA :: 66.351 CB :: 38.031 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 :: 8.515 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 :: 117.932 Ave N Shift Values>> N :: 121.46(4.28) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.21 P 0.14 R 0.08 W 0.06 Q 0.02 E 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 175.686 CA :: 61.049 CB :: 26.931 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.792 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 :: 119.207 Ave N Shift Values>> N :: 120.17(4.64) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.22 F 0.21 E 0.01 C Shift Assignments>> C :: 176.952 CA :: 61.138 CB :: 38.560 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 :: 8.560 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 :: 115.723 Ave N Shift Values>> N :: 120.45(4.18) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 M 0.41 C 0.06 I 0.04 V 0.02 L 0.01 C Shift Assignments>> C :: 178.963 CA :: 55.686 CB :: 19.134 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.601 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.432 Ave N Shift Values>> N :: 123.23(3.54) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 F 0.22 L 0.17 C 0.09 R 0.09 D 0.07 I 0.03 C Shift Assignments>> C :: 179.464 CA :: 57.937 CB :: 41.826 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 :: 8.527 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 :: 120.136 Ave N Shift Values>> N :: 121.86(3.9) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.14 V 0.01 F 0.01 C Shift Assignments>> C :: 176.671 CA :: 66.546 CB :: 38.072 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 :: 7.972 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.413 Ave N Shift Values>> N :: 121.46(4.28) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 C 0.24 R 0.17 L 0.07 W 0.07 K 0.07 Q 0.05 E 0.03 P 0.01 C Shift Assignments>> C :: 176.741 CA :: 59.543 CB :: 26.563 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 :: 8.393 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 :: 118.949 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.418 CA :: 60.997 CB :: 64.152 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.885 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 :: 110.577 Ave N Shift Values>> N :: 116.28(3.52) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 M 0.17 C 0.15 K 0.13 W 0.13 E 0.12 Q 0.09 V 0.01 C Shift Assignments>> C :: 176.067 CA :: 56.123 CB :: 31.352 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 :: 8.067 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.671 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.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 C 0.14 D 0.06 F 0.02 M 0.01 C Shift Assignments>> C :: 171.016 CA :: 50.110 CB :: 37.876 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 :: 8.789 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 :: 120.998 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.43 P 0.41 C 0.1 I 0.03 W 0.01 C Shift Assignments>> C :: 179.855 CA :: 65.078 CB :: 31.464 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) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.843 CA :: 66.308 CB :: 68.212 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 :: 8.372 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 :: 113.222 Ave N Shift Values>> N :: 115.42(4.75) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 R 0.2 L 0.2 F 0.16 C 0.08 D 0.06 I 0.01 C Shift Assignments>> C :: 177.469 CA :: 57.674 CB :: 42.406 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 :: 7.215 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 :: 124.693 Ave N Shift Values>> N :: 121.86(3.9) 1.W34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 W 0.19 E 0.13 R 0.11 V 0.08 Q 0.06 I 0.06 K 0.05 M 0.03 P 0.01 C Shift Assignments>> C :: 175.959 CA :: 59.924 CB :: 30.360 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.879 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 :: 118.156 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.16 K 0.13 W 0.11 R 0.09 M 0.08 E 0.06 Q 0.04 P 0.01 C Shift Assignments>> C :: 179.899 CA :: 59.555 CB :: 32.346 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 :: 8.069 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 :: 114.350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.19 E 0.14 R 0.12 Q 0.07 V 0.06 K 0.05 I 0.04 M 0.04 C Shift Assignments>> C :: 178.104 CA :: 59.499 CB :: 30.508 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.568 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 :: 119.499 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.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.38 C 0.01 HN Overlap>> 1.K41 1.K41 C Shift Assignments>> C :: 177.898 CA :: 53.487 CB :: 17.616 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.005 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.273 Ave N Shift Values>> N :: 123.23(3.54) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 K 0.19 F 0.11 C 0.06 N 0.04 R 0.04 C Shift Assignments>> C :: 178.654 CA :: 55.234 CB :: 41.562 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 :: 7.134 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 :: 114.856 Ave N Shift Values>> N :: 121.86(3.9) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.960 CA :: 59.624 CB :: 63.612 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.392 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 :: 114.058 Ave N Shift Values>> N :: 116.28(3.52) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 Q 0.16 W 0.15 E 0.15 C 0.14 M 0.09 K 0.08 C Shift Assignments>> C :: 176.391 CA :: 55.586 CB :: 30.247 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.911 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 :: 122.355 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.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 M 0.19 C 0.19 Q 0.15 R 0.1 W 0.07 E 0.04 V 0.03 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> C :: 176.452 CA :: 56.983 CB :: 32.904 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 :: 8.093 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 :: 122.340 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.2 C 0.18 Q 0.17 R 0.09 W 0.06 E 0.04 V 0.02 C Shift Assignments>> C :: 175.956 CA :: 56.351 CB :: 33.047 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 :: 8.368 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 :: 122.594 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 179.002 CA :: 46.172 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.977 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.403 Ave N Shift Values>> N :: 109.67(3.87) 2.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.27 V 0.27 W 0.1 K 0.08 P 0.07 R 0.06 E 0.04 M 0.04 Q 0.01 I 0.01 C Shift Assignments>> C :: 177.961 CA :: 60.660 CB :: 32.110 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) 2.R27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.19 E 0.14 R 0.1 K 0.09 Q 0.09 I 0.08 V 0.03 M 0.02 C Shift Assignments>> C :: 178.213(D) CA :: 59.523 CB :: 29.734 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 :: 8.080 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 :: 118.035 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 L 0.19 F 0.17 R 0.16 C 0.08 D 0.07 I 0.02 C Shift Assignments>> C :: 178.726(D) CA :: 57.659(D) CB :: 42.207(D) 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 :: 7.565(D) 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 :: 119.792(D) Ave N Shift Values>> N :: 121.86(3.9) 2.I29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.83 C 0.13 F 0.01 V 0.01 C Shift Assignments>> C :: 177.026(D) CA :: 66.375(D) CB :: 38.204(D) 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 :: 7.586(D) 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 :: 117.952(D) Ave N Shift Values>> N :: 121.46(4.28) 2.K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 V 0.25 W 0.1 K 0.1 R 0.06 M 0.05 P 0.04 E 0.04 Q 0.03 C Shift Assignments>> C :: 178.973(D) CA :: 60.381(D) CB :: 32.367(D) 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 :: 8.034(D) 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 :: 116.741(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.18 E 0.14 K 0.11 R 0.1 Q 0.1 I 0.08 M 0.02 V 0.02 C Shift Assignments>> C :: 179.619(D) CA :: 59.252(D) CB :: 29.536(D) 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 :: 7.786(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.965(D) Ave N Shift Values>> N :: 120.67(3.48) 2.K32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.18 E 0.16 R 0.15 Q 0.1 K 0.06 M 0.06 V 0.03 I 0.02 HN Overlap>> 2.K40 2.K40 C Shift Assignments>> C :: 177.980(D) CA :: 58.417(D) CB :: 30.490(D) 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 :: 7.777(D) 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 :: 119.280(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.22 F 0.19 D 0.17 C 0.08 R 0.03 N 0.02 I 0.02 C Shift Assignments>> C :: 177.215(D) CA :: 56.621(D) CB :: 41.376(D) 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 :: 7.542(D) 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 :: 113.282(D) Ave N Shift Values>> N :: 121.86(3.9) 2.K34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.2 C 0.17 Q 0.17 R 0.09 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 175.492(D) CA :: 55.895(D) CB :: 33.005(D) 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 :: 7.030(D) 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 :: 113.865(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 L 0.24 N 0.12 K 0.1 F 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 175.593(D) CA :: 53.161(D) CB :: 41.510(D) 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 :: 7.465(D) 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 :: 122.223(D) Ave N Shift Values>> N :: 120.65(3.86) 2.E36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.19 E 0.13 R 0.1 I 0.09 K 0.08 Q 0.08 V 0.04 M 0.02 C Shift Assignments>> C :: 179.347(D) CA :: 59.801(D) CB :: 29.816(D) 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 :: 8.786(D) 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 :: 125.556(D) Ave N Shift Values>> N :: 120.67(3.48) 2.E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.17 E 0.14 K 0.13 Q 0.11 R 0.1 I 0.09 M 0.02 V 0.01 C Shift Assignments>> C :: 178.144(D) CA :: 59.042(D) CB :: 29.244(D) 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 :: 8.270(D) 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 :: 119.437(D) Ave N Shift Values>> N :: 120.67(3.48) 2.F38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.6 C 0.19 F 0.18 C Shift Assignments>> C :: 177.553(D) CA :: 61.863(D) CB :: 38.987(D) 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 :: 7.753(D) 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 :: 122.770(D) Ave N Shift Values>> N :: 120.45(4.18) 2.I39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 C 0.31 V 0.14 F 0.03 E 0.02 C Shift Assignments>> C :: 177.845(D) CA :: 63.085(D) CB :: 36.319(D) 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 :: 8.345(D) 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 :: 118.624(D) Ave N Shift Values>> N :: 121.46(4.28) 2.K40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 V 0.24 W 0.11 K 0.09 R 0.07 E 0.05 P 0.05 M 0.05 Q 0.02 I 0.01 HN Overlap>> 2.K32 2.K32 C Shift Assignments>> C :: 180.468(D) CA :: 60.427(D) CB :: 32.062(D) 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 :: 7.816(D) 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 :: 119.367(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.W41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 C 0.24 W 0.15 E 0.07 K 0.07 R 0.05 V 0.04 Q 0.04 P 0.02 HN Overlap>> 1.D18 1.D18 C Shift Assignments>> C :: 178.167(D) CA :: 61.050(D) CB :: 29.169(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.808(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.956(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.V42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.73 P 0.12 C 0.1 I 0.03 HN Overlap>> 1.E10 1.E10 C Shift Assignments>> C :: 177.983(D) CA :: 67.252(D) CB :: 31.422(D) 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 :: 8.385(D) 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 :: 120.993(D) Ave N Shift Values>> N :: 121.14(4.54) 2.N43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 N 0.22 E 0.16 F 0.16 M 0.05 D 0.05 I 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 178.203(D) CA :: 55.575(D) CB :: 37.596(D) 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 :: 8.491(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.346(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 V 0.17 K 0.13 W 0.11 R 0.09 M 0.08 E 0.06 Q 0.04 P 0.01 C Shift Assignments>> C :: 179.727(D) CA :: 59.600(D) CB :: 32.311(D) 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 :: 7.949(D) 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 :: 121.274(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.59 P 0.21 C 0.11 I 0.06 HN Overlap>> 1.Q11 1.M9 1.Q11 1.M9 2.L49 2.L49 C Shift Assignments>> C :: 177.352(D) CA :: 66.559(D) CB :: 31.000(D) 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 :: 8.288(D) 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 :: 120.636(D) Ave N Shift Values>> N :: 121.14(4.54) 2.E46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 P 0.21 C 0.18 W 0.06 R 0.03 K 0.02 E 0.01 Q 0.01 C Shift Assignments>> C :: 177.803(D) CA :: 61.754(D) CB :: 27.759(D) 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 :: 8.991(D) 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 :: 124.140(D) Ave N Shift Values>> N :: 120.67(3.48) 2.T47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.639(D) CA :: 66.121(D) CB :: 69.267(D) 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 :: 7.499(D) 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 :: 111.086(D) Ave N Shift Values>> N :: 115.42(4.75) 2.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.55 P 0.32 C 0.09 I 0.01 C Shift Assignments>> C :: 178.527(D) CA :: 65.756(D) CB :: 31.979(D) 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 :: 7.208(D) 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 :: 122.077(D) Ave N Shift Values>> N :: 121.14(4.54) 2.L49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.29 F 0.22 L 0.17 C 0.09 R 0.08 D 0.07 I 0.03 HN Overlap>> 2.V45 2.V45 C Shift Assignments>> C :: 178.524(D) CA :: 57.956(D) CB :: 41.790(D) 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 :: 8.390(D) 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 :: 120.607(D) Ave N Shift Values>> N :: 121.86(3.9) 2.N50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 C 0.23 N 0.16 D 0.12 I 0.06 L 0.05 E 0.05 M 0.02 C Shift Assignments>> C :: 177.471(D) CA :: 56.227(D) CB :: 38.507(D) 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 :: 8.355(D) 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 :: 116.136(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 C 0.18 M 0.18 R 0.14 W 0.1 E 0.08 Q 0.07 V 0.03 C Shift Assignments>> C :: 178.374(D) CA :: 57.044(D) CB :: 32.206(D) 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 :: 7.373(D) 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 :: 116.994(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.M52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 K 0.19 Q 0.18 M 0.16 R 0.06 V 0.06 W 0.05 E 0.03 C Shift Assignments>> C :: 176.820(D) CA :: 57.968(D) CB :: 33.432(D) 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 :: 7.894(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.875(D) Ave N Shift Values>> N :: 120.09(3.57) 2.F53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 C 0.22 D 0.13 N 0.09 I 0.08 L 0.08 E 0.02 M 0.01 C Shift Assignments>> C :: 175.514(D) CA :: 56.788(D) CB :: 39.003(D) 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 :: 7.813(D) 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 :: 117.198(D) Ave N Shift Values>> N :: 120.45(4.18) 2.E54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.4 C 0.35 M 0.08 K 0.06 Q 0.04 I 0.04 C Shift Assignments>> C :: 175.486(D) CA :: 57.094(D) CB :: 30.176(D) CG :: 36.351(D) 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 :: 7.812(D) 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 :: 121.671(D) Ave N Shift Values>> N :: 120.67(3.48) 2.K55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 Q 0.2 K 0.19 M 0.17 R 0.05 V 0.05 W 0.04 E 0.02 C Shift Assignments>> C :: 181.387(D) CA :: 57.757(D) CB :: 33.672(D) 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 :: 8.001(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.453(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 69 #Clerical: 29 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 69 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 29 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 0 C Shift Results: #Consistent: 119 #Duplicate: 86 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 37 #Duplicate: 28 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 37 #Duplicate: 28 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 2.R27 C = 178.213(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.7445e-01 2.L28 C = 178.726(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.8061e-01 2.L28 CA = 57.659(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3843e-01 2.L28 CB = 42.207(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.5631e-01 2.L28 H = 7.565(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0627e-01 2.L28 N = 119.792(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9593e-01 2.I29 C = 177.026(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.4021e-01 2.I29 CA = 66.375(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.5406e-02 2.I29 CB = 38.204(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.3297e-01 2.I29 H = 7.586(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.0745e-01 2.I29 N = 117.952(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.1243e-01 2.K30 C = 178.973(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.4341e-01 2.K30 CA = 60.381(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1887e-01 2.K30 CB = 32.367(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.1216e-01 2.K30 H = 8.034(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.9486e-01 2.K30 N = 116.741(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.5305e-01 2.E31 C = 179.619(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.5862e-01 2.E31 CA = 59.252(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.5528e-01 2.E31 CB = 29.536(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.8287e-01 2.E31 H = 7.786(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.5651e-01 2.E31 N = 116.965(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.8703e-01 2.K32 C = 177.980(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.0286e-01 2.K32 CA = 58.417(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.0489e-01 2.K32 CB = 30.490(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.9631e-01 2.K32 H = 7.777(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.9124e-01 2.K32 N = 119.280(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.3871e-01 2.L33 C = 177.215(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.0953e-01 2.L33 CA = 56.621(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.3839e-01 2.L33 CB = 41.376(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.1932e-01 2.L33 H = 7.542(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.8985e-01 2.L33 N = 113.282(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.7843e-02 2.K34 C = 175.492(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.6597e-01 2.K34 CA = 55.895(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.3155e-01 2.K34 CB = 33.005(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.0386e-01 2.K34 H = 7.030(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.3195e-02 2.K34 N = 113.865(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.6672e-02 2.D35 C = 175.593(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.4470e-01 2.D35 CA = 53.161(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.5133e-01 2.D35 CB = 41.510(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.9736e-01 2.D35 H = 7.465(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.4514e-01 2.D35 N = 122.223(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.8363e-01 2.E36 C = 179.347(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.0399e-01 2.E36 CA = 59.801(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3520e-01 2.E36 CB = 29.816(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1020e-01 2.E36 H = 8.786(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.3959e-01 2.E36 N = 125.556(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6031e-01 2.E37 C = 178.144(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.1354e-01 2.E37 CA = 59.042(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.0998e-01 2.E37 CB = 29.244(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.5607e-01 2.E37 H = 8.270(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1900e-01 2.E37 N = 119.437(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.2311e-01 2.F38 C = 177.553(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.8378e-01 2.F38 CA = 61.863(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.4102e-01 2.F38 CB = 38.987(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.3130e-01 2.F38 H = 7.753(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.9920e-01 2.F38 N = 122.770(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.7888e-01 2.I39 C = 177.845(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.9878e-01 2.I39 CA = 63.085(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.8206e-01 2.I39 CB = 36.319(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.5260e-01 2.I39 H = 8.345(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.2385e-01 2.I39 N = 118.624(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.0758e-01 2.K40 C = 180.468(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.5620e-02 2.K40 CA = 60.427(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1400e-01 2.K40 CB = 32.062(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.8255e-01 2.K40 H = 7.816(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.3307e-01 2.K40 N = 119.367(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.5529e-01 2.W41 C = 178.167(D), Expected = 176.12, Std = 2.0100, ChiSquare = 3.0848e-01 2.W41 CA = 61.050(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.8886e-01 2.W41 CB = 29.169(D), Expected = 30.01, Std = 2.0100, ChiSquare = 6.7565e-01 2.W41 H = 7.808(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.4178e-01 2.W41 N = 120.956(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.6249e-01 2.V42 C = 177.983(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.1362e-01 2.V42 CA = 67.252(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.5906e-02 2.V42 CB = 31.422(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.6495e-01 2.V42 H = 8.385(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8725e-01 2.V42 N = 120.993(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7417e-01 2.N43 C = 178.203(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.0131e-01 2.N43 CA = 55.575(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.7905e-01 2.N43 CB = 37.596(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.1741e-01 2.N43 H = 8.491(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.1058e-01 2.N43 N = 117.346(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.9428e-01 2.K44 C = 179.727(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.2271e-01 2.K44 CA = 59.600(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.2838e-01 2.K44 CB = 32.311(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.8785e-01 2.K44 H = 7.949(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.8793e-01 2.K44 N = 121.274(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.5262e-01 2.V45 C = 177.352(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.6199e-01 2.V45 CA = 66.559(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5481e-01 2.V45 CB = 31.000(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.3380e-01 2.V45 H = 8.288(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.9762e-01 2.V45 N = 120.636(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1161e-01 2.E46 C = 177.803(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.3232e-01 2.E46 CA = 61.754(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.3877e-02 2.E46 CB = 27.759(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.9063e-01 2.E46 H = 8.991(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.6257e-01 2.E46 N = 124.140(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.1870e-01 2.T47 C = 176.639(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.3302e-01 2.T47 CA = 66.121(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.3202e-01 2.T47 CB = 69.267(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.7637e-01 2.T47 H = 7.499(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.3202e-01 2.T47 N = 111.086(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.6155e-01 2.V48 C = 178.527(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.2602e-01 2.V48 CA = 65.756(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.5347e-01 2.V48 CB = 31.979(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.7481e-01 2.V48 H = 7.208(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.0633e-01 2.V48 N = 122.077(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3649e-01 2.L49 C = 178.524(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.3849e-01 2.L49 CA = 57.956(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7277e-01 2.L49 CB = 41.790(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.8209e-01 2.L49 H = 8.390(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0556e-01 2.L49 N = 120.607(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.4800e-01 2.N50 C = 177.471(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.1884e-01 2.N50 CA = 56.227(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.5293e-01 2.N50 CB = 38.507(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.1377e-01 2.N50 H = 8.355(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.8100e-01 2.N50 N = 116.136(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.8812e-01 2.K51 C = 178.374(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.8594e-01 2.K51 CA = 57.044(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.6592e-01 2.K51 CB = 32.206(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.4284e-01 2.K51 H = 7.373(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.7330e-01 2.K51 N = 116.994(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.8199e-01 2.M52 C = 176.820(D), Expected = 176.18, Std = 2.0900, ChiSquare = 7.5944e-01 2.M52 CA = 57.968(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.0474e-01 2.M52 CB = 33.432(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.4358e-01 2.M52 H = 7.894(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.4186e-01 2.M52 N = 118.875(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.3360e-01 2.F53 C = 175.514(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.6233e-01 2.F53 CA = 56.788(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.1516e-01 2.F53 CB = 39.003(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.3675e-01 2.F53 H = 7.813(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.4742e-01 2.F53 N = 117.198(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.3657e-01 2.E54 C = 175.486(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.7786e-01 2.E54 CA = 57.094(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.1389e-01 2.E54 CB = 30.176(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.2311e-01 2.E54 CG = 36.351(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.3951e-01 2.E54 H = 7.812(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.7996e-01 2.E54 N = 121.671(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7362e-01 2.K55 C = 181.387(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.7620e-02 2.K55 CA = 57.757(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.1375e-01 2.K55 CB = 33.672(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.2024e-01 2.K55 H = 8.001(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5276e-01 2.K55 N = 127.453(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.9431e-02