Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.R1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.16 H 0.16 W 0.14 E 0.14 C 0.14 Q 0.12 K 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 175.940 CA :: 56.290 CB :: 30.670 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> HA :: 4.241 HB2 :: 1.773 HB3 :: 1.704 HG2 :: 1.563 HG3 :: 1.616 HD2 :: 3.078 HD3 :: 3.078 HE :: 7.260 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.25 C 0.14 Y 0.08 F 0.08 L 0.07 C Shift Assignments>> C :: 174.430 CA :: 53.550 CB :: 39.460 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.248 HA :: 4.648 HB2 :: 2.701 HB3 :: 2.780 HD21 :: 7.051 HD22 :: 7.652 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.220 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.F87 1.F87 C Shift Assignments>> C :: 175.110 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.200 HA :: 4.586 HB2 :: 3.024 HB3 :: 3.067 HD2 :: 7.024 HE1 :: 8.003 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.040 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.051 HA :: 4.690 HB2 :: 2.651 HB3 :: 2.922 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) 1.P5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.4 V 0.35 C 0.09 I 0.07 W 0.03 R 0.01 C Shift Assignments>> C :: 176.800 CA :: 63.130 CB :: 31.710 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.484 HB2 :: 1.670 HB3 :: 1.949 HG2 :: 0.469(S) HG3 :: 1.709 HD2 :: 3.560 HD3 :: 3.306 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 C 0.15 E 0.15 R 0.13 H 0.1 Q 0.09 I 0.06 K 0.06 V 0.04 C Shift Assignments>> C :: 176.770 CA :: 59.050 CB :: 30.280 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.560 HA :: 4.519 HB2 :: 3.663 HB3 :: 2.973 HD2 :: 7.310 HE1 :: 7.752 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.360 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.32 K 0.03 G 0.01 C Shift Assignments>> C :: 177.890 CA :: 57.180 CB :: 42.150 CD1 :: 24.890 CD2 :: 23.410 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.412 HA :: 4.004 HB2 :: 1.820 HB3 :: 1.607 HG :: 2.013 HD11 :: 0.985 HD12 :: 0.985 HD13 :: 0.985 HD21 :: 0.847 HD22 :: 0.847 HD23 :: 0.847 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.140 Ave N Shift Values>> N :: 121.98(4.07) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.19 C 0.16 D 0.15 L 0.11 K 0.05 N 0.05 I 0.03 C Shift Assignments>> C :: 176.930 CA :: 56.510 CB :: 40.110 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.006 HA :: 4.476 HB2 :: 2.672 HB3 :: 2.721 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.980 Ave N Shift Values>> N :: 120.73(4.2) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.080 CA :: 59.550 CB :: 63.890 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.832 HA :: 4.406 HB2 :: 4.063 HB3 :: 4.063 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.590 Ave N Shift Values>> N :: 116.3(3.95) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.800 CA :: 62.350 CB :: 32.650 CG1 :: 21.170 CG2 :: 21.280 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.225 HA :: 4.267 HB :: 2.214 HG11 :: 1.081 HG12 :: 1.081 HG13 :: 1.081 HG21 :: 1.040 HG22 :: 1.040 HG23 :: 1.040 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.140 Ave N Shift Values>> N :: 121.02(4.96) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.900 CA :: 44.380 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.256 HA2 :: 4.366 HA3 :: 3.713 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.990 Ave N Shift Values>> N :: 109.91(4.29) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 E 0.14 Q 0.14 W 0.14 C 0.13 K 0.1 I 0.01 HN Overlap>> 1.K91 1.K91 C Shift Assignments>> C :: 176.200 CA :: 56.240 CB :: 30.120 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.282 HA :: 4.295 HB2 :: 1.878 HB3 :: 1.937 HG2 :: 2.157 HG3 :: 2.221 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.550 Ave N Shift Values>> N :: 120.68(3.68) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 HN Overlap>> 1.C44 1.C44 C Shift Assignments>> C :: 175.340 CA :: 60.020 CB :: 40.220 CD1 :: 13.950 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.221 HA :: 4.482 HB :: 1.729 HG12 :: 1.524 HG13 :: 1.147 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.480 Ave N Shift Values>> N :: 121.6(4.72) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 175.000 CA :: 59.970 CB :: 71.530 CG2 :: 21.200 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.553 HA :: 4.651 HB :: 4.556 HG21 :: 1.236 HG22 :: 1.236 HG23 :: 1.236 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.280 Ave N Shift Values>> N :: 115.7(5.05) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 V 0.19 W 0.13 K 0.11 R 0.09 E 0.08 H 0.05 Q 0.03 I 0.03 P 0.02 C Shift Assignments>> C :: 178.230 CA :: 59.820 CB :: 32.180 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.976 HA :: 3.865 HB2 :: 1.862 HB3 :: 1.778 HG2 :: 1.412 HG3 :: 1.412 HD2 :: 1.677 HD3 :: 1.677 HE2 :: 2.928 HE3 :: 2.928 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.060 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 C 0.15 W 0.14 E 0.08 K 0.08 R 0.07 Q 0.06 H 0.06 P 0.03 V 0.02 HN Overlap>> 1.T69 1.T69 C Shift Assignments>> C :: 178.940 CA :: 60.450 CB :: 28.610 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.817 HA :: 3.912 HB2 :: 1.906 HB3 :: 2.017 HG2 :: 2.225 HG3 :: 2.413 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.280 Ave N Shift Values>> N :: 120.68(3.68) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 F 0.18 L 0.14 Y 0.14 C 0.13 D 0.09 R 0.05 I 0.03 N 0.01 C Shift Assignments>> C :: 178.430 CA :: 57.240 CB :: 41.200 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.687 HA :: 4.391 HB2 :: 2.499 HB3 :: 2.874 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.330 Ave N Shift Values>> N :: 120.73(4.2) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.43 A 0.01 I 0.01 C Shift Assignments>> C :: 179.640 CA :: 58.000 CB :: 40.730 CD1 :: 25.020 CD2 :: 22.000 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.716 HA :: 3.815 HB2 :: 1.367 HB3 :: 1.991 HG :: 1.801 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 HD21 :: 0.648 HD22 :: 0.648 HD23 :: 0.648 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.270 Ave N Shift Values>> N :: 121.98(4.07) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.13 Y 0.04 F 0.04 V 0.04 C Shift Assignments>> C :: 179.850 CA :: 64.620 CB :: 37.550 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.198 HA :: 3.631 HB :: 1.868 HG12 :: 1.673 HG13 :: 1.147 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.590 Ave N Shift Values>> N :: 121.6(4.72) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.17 C 0.13 R 0.13 W 0.12 K 0.11 Q 0.09 E 0.08 H 0.07 L 0.03 P 0.01 C Shift Assignments>> C :: 179.770 CA :: 59.350 CB :: 28.010 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.043 HA :: 3.922 HB2 :: 2.162 HB3 :: 2.162 HG2 :: 2.428 HG3 :: 2.428 HE21 :: 6.814 HE22 :: 7.503 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.880 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.18 K 0.14 Q 0.13 W 0.07 E 0.05 R 0.04 H 0.03 I 0.01 P 0.01 Y 0.01 C Shift Assignments>> C :: 179.040 CA :: 59.560 CB :: 33.600 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.311 HA :: 3.949 HB2 :: 1.680 HB3 :: 1.795 HG2 :: 1.434 HG3 :: 1.275 HD2 :: 1.500 HD3 :: 1.371 HE2 :: 2.817 HE3 :: 2.817 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.270 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.200 CA :: 60.880 CB :: 63.280 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.913 HA :: 3.948 HB2 :: 4.047 HB3 :: 3.899 HG :: 6.502 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.050 Ave N Shift Values>> N :: 116.3(3.95) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.34 A 0.21 K 0.02 G 0.01 C Shift Assignments>> C :: 177.600 CA :: 55.080 CB :: 41.810 CD1 :: 26.540 CD2 :: 21.410 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.162 HA :: 4.372 HB2 :: 1.632 HB3 :: 1.744 HG :: 1.810 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 HD21 :: 0.785 HD22 :: 0.785 HD23 :: 0.785 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.310 Ave N Shift Values>> N :: 121.98(4.07) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.860 CA :: 44.230 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.301 HA2 :: 3.794 HA3 :: 4.390 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.420 Ave N Shift Values>> N :: 109.91(4.29) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 T 0.32 A 0.07 C Shift Assignments>> C :: 174.760 CA :: 59.120 CB :: 73.560 CG2 :: 19.960 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.413 HA :: 3.822 HB :: 4.874 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.360 Ave N Shift Values>> N :: 115.7(5.05) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.16 V 0.12 E 0.11 R 0.11 I 0.07 H 0.07 K 0.06 Q 0.05 P 0.02 C Shift Assignments>> C :: 177.490 CA :: 59.940 CB :: 30.950 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.545 HA :: 3.917 HB2 :: 3.276 HB3 :: 2.799 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.100 Ave N Shift Values>> N :: 119.95(4.79) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 K 0.13 C 0.13 E 0.12 Q 0.12 H 0.1 R 0.09 I 0.09 L 0.01 V 0.01 C Shift Assignments>> C :: 176.530 CA :: 58.680 CB :: 28.810 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.902 HA :: 4.002 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 2.385 HG3 :: 2.385 HE21 :: 6.901 HE22 :: 7.735 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 130.580 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.2 R 0.17 C 0.11 F 0.1 D 0.09 Y 0.07 C Shift Assignments>> C :: 176.240 CA :: 56.600 CB :: 42.270 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.780 HA :: 4.797 HB2 :: 2.484 HB3 :: 2.484 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.380 Ave N Shift Values>> N :: 120.73(4.2) 1.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.16 R 0.13 E 0.12 V 0.1 K 0.1 H 0.08 Q 0.05 I 0.03 C Shift Assignments>> C :: 175.340 CA :: 59.170 CB :: 31.480 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.999 HA :: 5.016 HB2 :: 3.062 HB3 :: 3.363 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.150 Ave N Shift Values>> N :: 119.95(4.79) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.16 E 0.15 W 0.15 C 0.13 R 0.13 I 0.03 K 0.03 L 0.01 C Shift Assignments>> CA :: 56.950 CB :: 29.370 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.967 HA :: 4.230 HB2 :: 2.039 HB3 :: 1.619 HG2 :: 1.350 HG3 :: 1.210 HD2 :: 1.519 HD3 :: 1.519 HE2 :: 2.888 HE3 :: 2.888 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.930 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 175.000 CA :: 62.950 CB :: 32.580 CG1 :: 21.220 CG2 :: 21.020 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.731 HA :: 4.219 HB :: 2.292 HG11 :: 1.029 HG12 :: 1.029 HG13 :: 1.029 HG21 :: 1.135 HG22 :: 1.135 HG23 :: 1.135 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.16 C 0.16 W 0.13 E 0.12 K 0.11 Q 0.11 V 0.01 C Shift Assignments>> C :: 176.110 CA :: 55.400 CB :: 31.060 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.072 HA :: 4.483 HB2 :: 2.273 HB3 :: 2.049 HG2 :: 2.544 HG3 :: 2.415 HE21 :: 6.815 HE22 :: 7.562 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.100 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.2 R 0.15 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.980 CA :: 44.530 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.301 HA2 :: 3.909 HA3 :: 3.789 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.480 Ave N Shift Values>> N :: 109.91(4.29) 1.P34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.426 HB2 :: 2.121 HB3 :: 2.319 HG2 :: 1.659 HG3 :: 1.891 HD2 :: 3.427 HD3 :: 3.485 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.3 E 0.2 N 0.17 Y 0.14 F 0.07 D 0.03 K 0.02 I 0.02 C Shift Assignments>> C :: 175.730 CA :: 55.180 CB :: 36.970 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.812 HA :: 4.123 HB2 :: 3.090 HB3 :: 2.973 HD21 :: 6.811 HD22 :: 7.668 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 A 0.26 L 0.25 C 0.18 C Shift Assignments>> C :: 175.420 CA :: 54.670 CB :: 44.220 CD1 :: 24.830 CD2 :: 21.000 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.157 HA :: 4.629 HB2 :: 0.959 HB3 :: 1.525 HG :: 1.207 HD11 :: 0.503 HD12 :: 0.503 HD13 :: 0.503 HD21 :: 0.514 HD22 :: 0.514 HD23 :: 0.514 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.930 Ave N Shift Values>> N :: 121.98(4.07) 1.W37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 R 0.13 W 0.13 E 0.13 C 0.12 K 0.12 I 0.01 L 0.01 C Shift Assignments>> C :: 175.860 CA :: 55.840 CB :: 29.730 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.110 HA :: 5.261 HB2 :: 3.577 HB3 :: 2.921 HD1 :: 7.094 HE1 :: 10.016 HE3 :: 7.655 HZ2 :: 7.293 HZ3 :: 6.993 HH2 :: 6.908 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.900 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 C 0.08 L 0.04 G 0.01 C Shift Assignments>> C :: 175.350 CA :: 49.800 CB :: 21.100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.523 HA :: 5.128 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.190 Ave N Shift Values>> N :: 123.23(3.7) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 P 0.17 C 0.16 W 0.11 I 0.1 R 0.05 E 0.05 K 0.03 H 0.03 Q 0.01 C Shift Assignments>> C :: 176.910 CA :: 61.420 CB :: 31.320 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.323 HA :: 4.504 HB2 :: 3.196 HB3 :: 3.032 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.160 Ave N Shift Values>> N :: 119.95(4.79) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.19 G 0.14 A 0.1 K 0.04 R 0.01 C Shift Assignments>> C :: 176.410 CA :: 54.370 CB :: 43.460 CD2 :: 22.450 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.825 HA :: 4.531 HB2 :: 1.515 HB3 :: 1.790 HG :: 1.794 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.390 Ave N Shift Values>> N :: 121.98(4.07) 1.E41 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.14 W 0.14 Q 0.14 E 0.13 H 0.12 C 0.12 R 0.1 I 0.05 L 0.01 C Shift Assignments>> C :: 177.200 CA :: 57.820 CB :: 29.080 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.869 HA :: 3.714 HB2 :: 1.159(S) HB3 :: 1.528 HG2 :: 2.034 HG3 :: 0.698(A) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.330 Ave N Shift Values>> N :: 120.68(3.68) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.21 F 0.16 N 0.14 D 0.1 E 0.06 I 0.03 L 0.03 C Shift Assignments>> C :: 175.880 CA :: 55.800 CB :: 38.420 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.480 HA :: 4.363 HB2 :: 2.691 HB3 :: 2.608 HD21 :: 6.923 HD22 :: 7.679 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.570 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 K 0.13 Q 0.13 I 0.12 W 0.12 H 0.09 E 0.09 L 0.08 R 0.04 C Shift Assignments>> C :: 174.550 CA :: 58.400 CB :: 27.680 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.814 HA :: 3.786 HB2 :: 1.523 HB3 :: 2.038 HG2 :: 1.528 HG3 :: 2.140 HD2 :: 3.146 HD3 :: 3.193 HE :: 6.922 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.890 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 V 0.18 W 0.14 R 0.1 K 0.09 E 0.08 H 0.06 I 0.04 P 0.03 Q 0.03 HN Overlap>> 1.I13 1.I13 C Shift Assignments>> C :: 175.090 CA :: 59.960 CB :: 31.870 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.304 HA :: 4.581 HB2 :: 3.146 HB3 :: 2.490 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.410 Ave N Shift Values>> N :: 119.95(4.79) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E51 1.E51 C Shift Assignments>> C :: 174.530 CA :: 57.490 CB :: 64.150 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.678 HA :: 4.811 HB2 :: 3.879 HB3 :: 3.996 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.600 Ave N Shift Values>> N :: 116.3(3.95) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 F 0.2 C 0.15 Y 0.15 C Shift Assignments>> C :: 175.290 CA :: 62.330 CB :: 40.100 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.018 HA :: 3.956 HB2 :: 2.647 HB3 :: 2.162 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.120 Ave N Shift Values>> N :: 120.79(4.69) 1.V47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 173.130 CA :: 61.240 CB :: 35.260 CG1 :: 21.790 CG2 :: 21.110 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 5.796(S) HA :: 4.654 HB :: 1.731 HG11 :: 0.573 HG12 :: 0.573 HG13 :: 0.573 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.330 Ave N Shift Values>> N :: 121.02(4.96) 1.G48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.57 L 0.16 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.610 CA :: 44.760 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.080 HA2 :: 6.071(S) HA3 :: 3.781 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.010 Ave N Shift Values>> N :: 109.91(4.29) 1.C49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.15 R 0.15 W 0.14 E 0.12 H 0.11 Q 0.06 V 0.04 I 0.01 C Shift Assignments>> C :: 174.860 CA :: 57.650 CB :: 31.750 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.178 HA :: 5.031 HB2 :: 2.896 HB3 :: 3.241 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.990 Ave N Shift Values>> N :: 119.95(4.79) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 176.600 CA :: 44.400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.761 HA2 :: 3.956 HA3 :: 4.903 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.200 Ave N Shift Values>> N :: 109.91(4.29) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.13 K 0.11 Q 0.11 R 0.1 H 0.1 I 0.08 V 0.02 HN Overlap>> 1.S45 1.S45 C Shift Assignments>> C :: 176.480 CA :: 58.800 CB :: 29.450 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.684 HA :: 3.781 HB2 :: 1.913 HB3 :: 2.004 HG2 :: 2.172 HG3 :: 2.172 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.670 Ave N Shift Values>> N :: 120.68(3.68) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.380 CA :: 59.810 CB :: 63.000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.384 HA :: 4.398 HB2 :: 3.925 HB3 :: 4.054 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.910 Ave N Shift Values>> N :: 116.3(3.95) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.19 R 0.17 Q 0.13 C 0.12 K 0.11 H 0.11 W 0.07 E 0.05 I 0.01 C Shift Assignments>> C :: 174.610 CA :: 54.810 CB :: 27.570 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.824 HA :: 4.692 HB2 :: 2.430 HB3 :: 2.167 HG2 :: 2.491 HG3 :: 2.491 HE21 :: 6.848 HE22 :: 7.525 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.100 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 HN Overlap>> 1.V86 1.V86 C Shift Assignments>> C :: 174.160 CA :: 61.410 CB :: 32.290 CG1 :: 21.360 CG2 :: 21.050 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.974 HA :: 4.111 HB :: 1.483 HG11 :: 0.660 HG12 :: 0.660 HG13 :: 0.660 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.330 Ave N Shift Values>> N :: 121.02(4.96) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.2 C 0.16 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 176.500 CA :: 53.540 CB :: 38.950 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.933 HA :: 4.183 HB2 :: 1.874 HB3 :: 3.256 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.130 Ave N Shift Values>> N :: 120.73(4.2) 1.H56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.17 V 0.13 C 0.12 W 0.07 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 178.390 CA :: 63.210 CB :: 29.300 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.604 HA :: 4.277 HB2 :: 4.082 HB3 :: 3.686 HD2 :: 7.115 HE1 :: 7.775 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.620 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.330 CA :: 62.750 CB :: 63.410 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.472 HA :: 4.344 HB2 :: 3.807 HB3 :: 4.719 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.450 Ave N Shift Values>> N :: 116.3(3.95) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.340 CA :: 66.540 CB :: 67.460 CG2 :: 21.230 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.382 HA :: 3.835 HB :: 3.351 HG21 :: 0.968 HG22 :: 0.968 HG23 :: 0.968 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.860 Ave N Shift Values>> N :: 115.7(5.05) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 177.780 CA :: 65.040 CB :: 37.640 CD1 :: 12.870 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.383 HA :: 3.508 HB :: 1.850 HG12 :: 1.061 HG13 :: 1.614 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.680 Ave N Shift Values>> N :: 121.6(4.72) 1.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 C 0.14 W 0.13 R 0.11 K 0.1 E 0.08 Q 0.08 H 0.06 L 0.02 P 0.02 V 0.01 C Shift Assignments>> C :: 179.040 CA :: 59.870 CB :: 28.190 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.397 HA :: 3.950 HB2 :: 3.024 HB3 :: 2.292 HD1 :: 11.859 HD2 :: 7.304 HE1 :: 7.621 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.880 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.810 CA :: 61.500 CB :: 63.620 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.453 HA :: 3.856 HB2 :: 3.204 HB3 :: 3.558 HG :: 4.392 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.760 Ave N Shift Values>> N :: 116.3(3.95) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.13 R 0.13 W 0.12 C 0.12 Q 0.12 E 0.1 H 0.09 I 0.09 L 0.04 C Shift Assignments>> C :: 178.600 CA :: 58.420 CB :: 28.250 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.980 HA :: 3.840 HB2 :: 1.937 HB3 :: 2.111 HG2 :: 2.382 HG3 :: 2.259 HE21 :: 6.668 HE22 :: 7.309 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.360 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.15 C 0.14 R 0.14 H 0.11 Q 0.1 K 0.07 I 0.04 V 0.03 C Shift Assignments>> C :: 178.350 CA :: 58.470 CB :: 30.330 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.048 HA :: 3.950 HB2 :: 1.832 HB3 :: 1.895 HG2 :: 2.323 HG3 :: 2.096 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.340 Ave N Shift Values>> N :: 120.68(3.68) 1.T64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.460 CA :: 62.190 CB :: 71.020 CG2 :: 20.330 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.304 HA :: 2.885 HB :: 2.438(S) HG1 :: 3.839 HG21 :: 0.445 HG22 :: 0.445 HG23 :: 0.445 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.970 Ave N Shift Values>> N :: 115.7(5.05) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 Q 0.15 C 0.13 W 0.12 H 0.11 E 0.1 L 0.08 I 0.07 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> C :: 174.340 CA :: 57.630 CB :: 27.960 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.878 HA :: 3.191 HB2 :: 1.887 HB3 :: 1.611 HG2 :: 1.230 HG3 :: 1.161 HD2 :: 1.574 HD3 :: 1.629 HE2 :: 2.961 HE3 :: 2.921 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.710 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 H 0.16 R 0.13 K 0.13 W 0.09 P 0.06 Q 0.05 E 0.04 HN Overlap>> 1.R76 1.R76 C Shift Assignments>> C :: 177.090 CA :: 52.640 CB :: 31.910 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.173 HA :: 4.598 HB2 :: 3.169 HB3 :: 2.885 HD2 :: 6.359 HE1 :: 8.088 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.930 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 I 0.2 C 0.18 L 0.02 K 0.01 D 0.01 C Shift Assignments>> C :: 173.830 CA :: 59.520 CB :: 39.780 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.096 HA :: 4.730 HB2 :: 3.482 HB3 :: 2.638 HD1 :: 6.786 HD2 :: 6.786 HE1 :: 6.679 HE2 :: 6.679 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 127.590 Ave N Shift Values>> N :: 120.79(4.69) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 G 0.3 C 0.17 C Shift Assignments>> C :: 176.130 CA :: 53.740 CB :: 44.210 CD1 :: 25.590 CD2 :: 25.000 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.370 HA :: 5.645 HB2 :: 1.273 HB3 :: 1.880 HG :: 1.658 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.580 Ave N Shift Values>> N :: 121.98(4.07) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 HN Overlap>> 1.E16 1.E16 C Shift Assignments>> C :: 171.430 CA :: 59.350 CB :: 70.270 CG2 :: 21.710 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.737 HA :: 5.432 HB :: 4.403 HG1 :: 4.663 HG21 :: 1.314 HG22 :: 1.314 HG23 :: 1.314 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.300 Ave N Shift Values>> N :: 115.7(5.05) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.13 A 0.07 C Shift Assignments>> C :: 172.240 CA :: 57.480 CB :: 35.970 CG1 :: 20.090 CG2 :: 21.250 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.047 HA :: 5.514 HB :: 1.934 HG11 :: 1.047 HG12 :: 1.047 HG13 :: 1.047 HG21 :: 0.683 HG22 :: 0.683 HG23 :: 0.683 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.880 Ave N Shift Values>> N :: 121.02(4.96) 1.N71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.48 C 0.24 Y 0.07 D 0.06 E 0.05 F 0.04 C Shift Assignments>> C :: 176.940 CA :: 52.960 CB :: 37.400 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.288 HA :: 3.534 HB2 :: 2.338 HB3 :: 0.267(S) HD21 :: 7.293 HD22 :: 7.438 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 129.690 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.36 K 0.04 A 0.01 C Shift Assignments>> C :: 176.700 CA :: 56.570 CB :: 41.160 CD1 :: 25.430 CD2 :: 22.950 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.979 HA :: 3.853 HB2 :: 1.167 HB3 :: 1.873 HG :: 1.592 HD11 :: 0.565 HD12 :: 0.565 HD13 :: 0.565 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.400 Ave N Shift Values>> N :: 121.98(4.07) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.410 CA :: 65.280 CB :: 69.730 CG2 :: 21.070 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.913 HA :: 4.232 HB :: 4.230 HG21 :: 1.190 HG22 :: 1.190 HG23 :: 1.190 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.150 Ave N Shift Values>> N :: 115.7(5.05) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 177.820 CA :: 62.160 CB :: 70.230 CG2 :: 20.860 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.846 HA :: 4.085 HB :: 4.234 HG1 :: 5.278 HG21 :: 1.087 HG22 :: 1.087 HG23 :: 1.087 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.770 Ave N Shift Values>> N :: 115.7(5.05) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 L 0.13 A 0.08 C Shift Assignments>> C :: 175.050 CA :: 55.960 CB :: 37.880 CD1 :: 24.260 CD2 :: 22.200 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.392 HA :: 3.907 HB2 :: 1.606 HB3 :: 1.992 HG :: 1.379 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 HD21 :: 0.732 HD22 :: 0.732 HD23 :: 0.732 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.300 Ave N Shift Values>> N :: 121.98(4.07) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 R 0.16 K 0.15 H 0.14 W 0.13 E 0.11 Q 0.08 V 0.02 HN Overlap>> 1.H66 1.H66 C Shift Assignments>> C :: 174.730 CA :: 56.370 CB :: 31.670 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.132 HA :: 4.311 HB2 :: 1.775 HB3 :: 1.581 HG2 :: 1.587 HG3 :: 1.692 HD2 :: 3.215 HD3 :: 3.286 HE :: 7.471 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.010 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 174.540 CA :: 61.600 CB :: 31.970 CG1 :: 21.810 CG2 :: 21.280 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.062 HA :: 4.904 HB :: 2.173 HG11 :: 0.733 HG12 :: 0.733 HG13 :: 0.733 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.790 Ave N Shift Values>> N :: 121.02(4.96) 1.W78 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.26 Q 0.26 K 0.21 E 0.07 H 0.05 W 0.04 R 0.04 V 0.01 Y 0.01 C Shift Assignments>> C :: 172.920 CA :: 55.170 CB :: 33.910 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.443 HA :: 4.845 HB2 :: 2.739 HB3 :: 2.844 HD1 :: 5.124(A) HE1 :: 9.224 HE3 :: 7.231 HZ2 :: 7.137 HZ3 :: 7.229 HH2 :: 6.983 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 129.310 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.C79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 C 0.16 H 0.14 W 0.13 K 0.13 E 0.12 Q 0.09 V 0.02 C Shift Assignments>> C :: 177.670 CA :: 56.450 CB :: 31.400 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.159 HA :: 5.169 HB2 :: 2.476 HB3 :: 2.603 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.710 Ave N Shift Values>> N :: 119.95(4.79) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 F 0.23 Y 0.17 C 0.16 K 0.01 C Shift Assignments>> C :: 177.470 CA :: 61.880 CB :: 40.240 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 10.164 HA :: 4.263 HB2 :: 3.219 HB3 :: 2.945 HD1 :: 7.387 HD2 :: 7.387 HE1 :: 6.713 HE2 :: 6.713 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.840 Ave N Shift Values>> N :: 120.79(4.69) 1.A81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.89 I 0.05 C 0.04 C Shift Assignments>> C :: 179.590 CA :: 54.260 CB :: 16.970 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.994 HA :: 3.789 HB1 :: -0.333(S) HB2 :: -0.333(S) HB3 :: -0.333(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.960 Ave N Shift Values>> N :: 123.23(3.7) 1.C82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 P 0.21 V 0.18 C 0.13 W 0.09 E 0.03 R 0.03 H 0.01 K 0.01 Q 0.01 C Shift Assignments>> C :: 175.510 CA :: 62.480 CB :: 30.060 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.757 HA :: 3.858 HB2 :: 2.410 HB3 :: 2.675 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.730 Ave N Shift Values>> N :: 119.95(4.79) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K65 1.K65 C Shift Assignments>> C :: 173.100 CA :: 57.940 CB :: 61.700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.776 HA :: 3.569 HB2 :: 3.677 HB3 :: 4.161 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.730 Ave N Shift Values>> N :: 116.3(3.95) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.19 N 0.15 K 0.08 Y 0.06 Q 0.05 F 0.02 H 0.01 C Shift Assignments>> C :: 172.590 CA :: 54.130 CB :: 35.780 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.366 HA :: 3.840 HB2 :: 1.541 HB3 :: 1.387 HG2 :: 0.935 HG3 :: 0.843 HD2 :: 1.503 HD3 :: 1.503 HE2 :: 2.824 HE3 :: 2.892 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.350 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.15 R 0.14 W 0.13 C 0.13 E 0.12 K 0.11 I 0.01 C Shift Assignments>> C :: 176.120 CA :: 55.610 CB :: 29.900 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.998 HA :: 4.718 HB2 :: 1.814 HB3 :: 1.766 HG2 :: 1.992 HG3 :: 2.718 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.500 Ave N Shift Values>> N :: 120.68(3.68) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.35 HN Overlap>> 1.V54 1.V54 C Shift Assignments>> C :: 173.260 CA :: 59.380 CB :: 34.670 CG1 :: 20.800 CG2 :: 19.360 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.920 HA :: 4.349 HB :: 1.937 HG11 :: 0.801 HG12 :: 0.801 HG13 :: 0.801 HG21 :: 0.577 HG22 :: 0.577 HG23 :: 0.577 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.290 Ave N Shift Values>> N :: 121.02(4.96) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.17 C 0.15 L 0.13 K 0.12 D 0.12 I 0.03 N 0.02 R 0.02 HN Overlap>> 1.H3 1.H3 C Shift Assignments>> C :: 175.530 CA :: 56.980 CB :: 40.650 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.166 HA :: 4.839 HB2 :: 2.778 HB3 :: 3.146 HD1 :: 7.259 HD2 :: 7.259 HE1 :: 7.268 HE2 :: 7.268 HZ :: 7.179 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.000 Ave N Shift Values>> N :: 120.69(4.18) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.21 A 0.05 G 0.04 K 0.01 C Shift Assignments>> C :: 176.920 CA :: 54.310 CB :: 42.620 CD1 :: 24.750 CD2 :: 23.030 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.803 HA :: 4.411 HB2 :: 1.693 HB3 :: 1.637 HG :: 1.694 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 HD21 :: 0.870 HD22 :: 0.870 HD23 :: 0.870 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.960 Ave N Shift Values>> N :: 121.98(4.07) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.17 K 0.12 C 0.12 F 0.12 Y 0.1 N 0.07 R 0.02 C Shift Assignments>> C :: 176.430 CA :: 55.180 CB :: 40.880 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.436 HA :: 4.462 HB2 :: 2.619 HB3 :: 2.700 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.740 Ave N Shift Values>> N :: 120.73(4.2) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.16 C 0.14 W 0.14 E 0.13 Q 0.12 K 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 176.120 CA :: 56.050 CB :: 30.680 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.015 HA :: 4.360 HB2 :: 1.861 HB3 :: 1.717 HG2 :: 1.563 HG3 :: 1.563 HD2 :: 3.154 HD3 :: 3.154 HE :: 7.257 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.320 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 C 0.21 Q 0.15 R 0.1 W 0.1 H 0.09 E 0.07 V 0.03 HN Overlap>> 1.E12 1.E12 C Shift Assignments>> C :: 176.750 CA :: 56.720 CB :: 32.790 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.310 HA :: 4.236 HB2 :: 1.751 HB3 :: 1.808 HG2 :: 1.460 HG3 :: 1.419 HD2 :: 1.655 HD3 :: 1.655 HE2 :: 2.978 HE3 :: 2.978 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.25 A 0.03 G 0.03 C Shift Assignments>> C :: 177.240 CA :: 55.270 CB :: 42.570 CD1 :: 24.450 CD2 :: 22.950 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.310 HA :: 4.343 HB2 :: 1.513 HB3 :: 1.677 HG :: 1.630 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.806 HD22 :: 0.806 HD23 :: 0.806 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.730 Ave N Shift Values>> N :: 121.98(4.07) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.160 CA :: 45.400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.323 HA2 :: 3.926 HA3 :: 3.982 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.190 Ave N Shift Values>> N :: 109.91(4.29) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.430 CA :: 61.760 CB :: 69.980 CG2 :: 21.140 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.018 HA :: 4.341 HB :: 4.261 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.930 Ave N Shift Values>> N :: 115.7(5.05) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.16 C 0.15 K 0.14 W 0.1 R 0.1 E 0.08 L 0.04 C Shift Assignments>> C :: 173.910 CA :: 53.830 CB :: 29.080 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.234 HA :: 4.148 HB2 :: 1.922 HB3 :: 2.088 HG2 :: 2.284 HG3 :: 2.284 HE21 :: 6.822 HE22 :: 7.532 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.280 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 87 #Clerical: 0 #Suspicious: 6 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 92 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 95 #Suspicious: 0 C Shift Results: #Consistent: 313 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 653 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 2 N Shift Results: #Consistent: 89 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P5 HG2 = 0.469(S), Expected = 1.93, Std = 0.3600, ChiSquare = 4.9424e-05 1.E41 HB2 = 1.159(S), Expected = 2.04, Std = 0.2200, ChiSquare = 6.2137e-05 1.E41 HG3 = 0.698(A), Expected = 2.31, Std = 0.2100, ChiSquare = 1.6389e-14 1.V47 H = 5.796(S), Expected = 8.29, Std = 0.7100, ChiSquare = 4.4362e-04 1.G48 HA2 = 6.071(S), Expected = 3.95, Std = 0.4000, ChiSquare = 1.1423e-07 1.T64 HB = 2.438(S), Expected = 4.17, Std = 0.3700, ChiSquare = 2.8537e-06 1.N71 HB3 = 0.267(S), Expected = 2.78, Std = 0.3400, ChiSquare = 1.4554e-13 1.W78 HD1 = 5.124(A), Expected = 7.16, Std = 0.3400, ChiSquare = 2.1213e-09 1.A81 HB1 = -0.333(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.2825e-12 1.A81 HB2 = -0.333(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.2825e-12 1.A81 HB3 = -0.333(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.2825e-12