S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 178.200 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.6 Q 0.2 K 0.1 E 0.05 R 0.02 C Shift Assignments>> C :: 178.200 CA :: 57.600 CB :: 31.900 CG :: 32.400 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.426 HB2 :: 2.130 HB3 :: 2.210 HG2 :: 2.620 HG3 :: 2.510 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.300 CA :: 62.927 CB :: 67.923 CG2 :: 22.400 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 :: 7.791 HA :: 4.908 HB :: 4.590 HG2 :: 1.293 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 :: 106.600 Ave N Shift Values>> N :: 115.7(5.05) D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.24 K 0.23 F 0.17 R 0.06 I 0.01 C Shift Assignments>> C :: 176.300 CA :: 55.850 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 :: 7.618 HA :: 4.648 HB2 :: 2.770 HB3 :: 2.770 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 :: 119.000 Ave N Shift Values>> N :: 120.73(4.2) L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.33 R 0.05 HN Overlap>> E62 C Shift Assignments>> C :: 175.400 CA :: 56.300 CB :: 45.370 CG :: 27.340 CD1 :: 26.500 CD2 :: 23.600 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 :: 7.460 HA :: 4.367 HB2 :: 1.837 HB3 :: 1.273 HG :: 1.570 HD1 :: 0.860 HD2 :: 0.835 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 :: 119.200 Ave N Shift Values>> N :: 121.98(4.07) L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.15 A 0.11 R 0.02 HN Overlap>> K12 C Shift Assignments>> C :: 175.100 CA :: 52.300 CB :: 45.100 CG :: 27.000 CD1 :: 27.180 CD2 :: 22.500 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 :: 7.930 HA :: 4.721 HB2 :: 1.616 HB3 :: 1.616 HG :: 1.590 HD1 :: 1.210 HD2 :: 0.921 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 :: 118.330 Ave N Shift Values>> N :: 121.98(4.07) S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.700 CA :: 57.300 CB :: 63.700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.446 HA :: 4.554 HB2 :: 4.119 HB3 :: 3.941 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 :: 113.700 Ave N Shift Values>> N :: 116.3(3.95) A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.04 V 0.01 C Shift Assignments>> C :: 180.200 CA :: 55.571 CB :: 18.500 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.268 HA :: 4.017 HB :: 1.554 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.285 Ave N Shift Values>> N :: 123.23(3.7) E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.27 K 0.12 Q 0.05 M 0.03 C Shift Assignments>> C :: 178.800 CA :: 59.200 CB :: 29.370 CG :: 36.230 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 :: 8.443 HA :: 4.064 HB2 :: 1.977 HB3 :: 1.977 HG2 :: 2.314 HG3 :: 2.314 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 :: 117.700 Ave N Shift Values>> N :: 120.68(3.68) D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 D 0.19 I 0.12 L 0.12 E 0.03 K 0.03 C Shift Assignments>> C :: 178.700 CA :: 57.100 CB :: 39.500 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 :: 7.341 HA :: 4.459 HB2 :: 2.886 HB3 :: 2.886 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 :: 121.300 Ave N Shift Values>> N :: 120.73(4.2) I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.600 CA :: 66.621 CB :: 38.817 CG1 :: 30.100 CG2 :: 18.500 CD1 :: 14.200 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 :: 8.313 HA :: 3.603 HB :: 1.947 HG2 :: 1.010 HG12 :: 0.870 HG13 :: 0.870 HD1 :: 0.970 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 :: 119.900 Ave N Shift Values>> N :: 121.6(4.72) K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.28 M 0.03 G 0.01 HN Overlap>> L6 C Shift Assignments>> C :: 180.200 CA :: 59.900 CB :: 32.500 CG :: 25.100 CD :: 29.600 CE :: 42.100 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 :: 7.940 HA :: 3.961 HB2 :: 1.910 HB3 :: 1.910 HG2 :: 1.400 HG3 :: 1.540 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 2.940 HE3 :: 2.940 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 :: 118.400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.28 M 0.03 G 0.02 C Shift Assignments>> C :: 178.600 CA :: 59.400 CB :: 32.700 CG :: 24.800 CD :: 29.300 CE :: 42.400 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 :: 7.767 HA :: 3.950 HB2 :: 1.910 HB3 :: 1.910 HG2 :: 1.390 HG3 :: 1.550 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 2.930 HE3 :: 2.930 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 :: 119.400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.44 L 0.04 V 0.02 I 0.01 T 0.01 HN Overlap>> V43 C Shift Assignments>> C :: 178.800 CA :: 54.900 CB :: 19.900 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.350 HA :: 4.237 HB :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.100 Ave N Shift Values>> N :: 123.23(3.7) I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 180.400 CA :: 64.000 CB :: 36.900 CG1 :: 28.700 CG2 :: 17.500 CD1 :: 13.100 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 :: 8.714 HA :: 3.958 HB :: 2.153 HG2 :: 0.980 HG12 :: 1.779 HG13 :: 1.654 HD1 :: 0.970 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 :: 114.700 Ave N Shift Values>> N :: 121.6(4.72) G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.700 CA :: 46.340 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.943 HA2 :: 3.920 HA3 :: 3.818 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.900 Ave N Shift Values>> N :: 109.91(4.29) A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.29 C Shift Assignments>> C :: 178.100 CA :: 53.000 CB :: 18.100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.262 HA :: 4.081 HB :: 0.861 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.200 Ave N Shift Values>> N :: 123.23(3.7) F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 D 0.27 L 0.13 I 0.09 E 0.05 K 0.01 M 0.01 C Shift Assignments>> C :: 176.400 CA :: 56.300 CB :: 39.200 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 :: 7.362 HA :: 5.298 HB2 :: 3.595 HB3 :: 2.598 HD1 :: 7.620 HD2 :: 7.620 HE1 :: 7.350 HE2 :: 7.350 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 :: 115.500 Ave N Shift Values>> N :: 120.69(4.18) T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.400 CA :: 65.120 CB :: 68.800 CG2 :: 21.900 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 :: 7.504 HA :: 3.950 HB :: 4.220 HG2 :: 1.335 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 :: 114.700 Ave N Shift Values>> N :: 115.7(5.05) A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.17 C Shift Assignments>> C :: 178.200 CA :: 51.900 CB :: 18.800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.226 HA :: 4.284 HB :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.000 Ave N Shift Values>> N :: 123.23(3.7) A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.29 C Shift Assignments>> C :: 177.900 CA :: 53.300 CB :: 18.800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.665 HA :: 4.054 HB :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.500 Ave N Shift Values>> N :: 123.23(3.7) D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 D 0.22 L 0.12 I 0.11 E 0.04 K 0.02 C Shift Assignments>> C :: 175.500 CA :: 56.700 CB :: 39.300 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 :: 8.704 HA :: 4.366 HB2 :: 2.660 HB3 :: 2.660 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 :: 116.900 Ave N Shift Values>> N :: 120.73(4.2) S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 176.300 CA :: 58.900 CB :: 65.600 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.598 HA :: 4.389 HB2 :: 4.250 HB3 :: 3.673 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 :: 111.400 Ave N Shift Values>> N :: 116.3(3.95) F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 F 0.29 E 0.01 C Shift Assignments>> C :: 173.700 CA :: 61.600 CB :: 39.000 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 :: 9.603 HA :: 3.560 HB2 :: 2.920 HB3 :: 2.920 HD1 :: 7.580 HD2 :: 7.580 HE1 :: 7.350 HE2 :: 7.350 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 :: 124.100 Ave N Shift Values>> N :: 120.69(4.18) D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.33 D 0.29 R 0.15 G 0.11 K 0.07 F 0.03 C Shift Assignments>> C :: 175.500 CA :: 51.900 CB :: 42.820 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>> HA :: 4.426 HB2 :: 2.522 HB3 :: 2.522 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.18 E 0.18 K 0.14 R 0.13 Q 0.13 H 0.12 V 0.04 M 0.03 C Shift Assignments>> C :: 174.500 CA :: 59.500 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 :: 8.590 HA :: 3.095 HB2 :: 2.684 HB3 :: 2.491 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 :: 122.600 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.4 M 0.02 G 0.02 C Shift Assignments>> C :: 178.900 CA :: 59.100 CB :: 31.300 CG :: 25.500 CD :: 29.300 CE :: 42.270 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 :: 6.876 HA :: 3.963 HB2 :: 1.776 HB3 :: 1.647 HG2 :: 0.760 HG3 :: 0.760 HD2 :: 1.150 HD3 :: 1.150 HE2 :: 2.960 HE3 :: 2.960 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 :: 120.900 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.41 M 0.02 G 0.02 HN Overlap>> L50 C Shift Assignments>> C :: 178.600 CA :: 58.710 CB :: 33.190 CG :: 25.610 CD :: 29.660 CE :: 42.400 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 :: 7.001 HA :: 4.002 HB2 :: 1.829 HB3 :: 1.829 HG2 :: 1.543 HG3 :: 1.405 HD2 :: 1.720 HD3 :: 1.720 HE2 :: 2.940 HE3 :: 2.940 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 :: 118.600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 F 0.21 C Shift Assignments>> C :: 176.300 CA :: 62.940 CB :: 39.500 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 :: 8.270 HA :: 4.013 HB2 :: 2.480 HB3 :: 2.240 HD1 :: 6.840 HD2 :: 6.840 HE1 :: 6.580 HE2 :: 6.580 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 :: 119.100 Ave N Shift Values>> N :: 120.69(4.18) F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.22 F 0.17 M 0.07 K 0.04 V 0.02 C Shift Assignments>> C :: 178.700 CA :: 58.600 CB :: 36.800 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 :: 8.694 HA :: 4.367 HB2 :: 3.400 HB3 :: 2.970 HD1 :: 7.360 HD2 :: 7.360 HE1 :: 7.140 HE2 :: 7.140 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 :: 116.280 Ave N Shift Values>> N :: 120.69(4.18) Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 Q 0.3 R 0.17 E 0.08 M 0.04 I 0.02 C Shift Assignments>> C :: 179.300 CA :: 59.200 CB :: 28.200 CG :: 33.200 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 :: 7.765 HA :: 4.046 HB2 :: 2.231 HB3 :: 2.231 HG2 :: 2.320 HG3 :: 2.520 HE21 :: 6.690 HE22 :: 7.720 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 :: 118.000 NE2 :: 111.860 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.25 R 0.23 E 0.05 M 0.04 I 0.02 C Shift Assignments>> C :: 178.100 CA :: 59.500 CB :: 28.230 CG :: 32.800 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.698 HA :: 3.931 HB2 :: 1.990 HB3 :: 1.880 HG2 :: 2.400 HG3 :: 2.910 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.700 Ave N Shift Values>> N :: 120.1(3.88) V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.600 CA :: 62.420 CB :: 31.800 CG1 :: 23.700 CG2 :: 21.200 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 :: 8.282 HA :: 3.766 HB :: 1.384 HG1 :: 0.910 HG2 :: 0.630 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 :: 114.300 Ave N Shift Values>> N :: 121.02(4.96) G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 176.600 CA :: 45.670 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.172 HA2 :: 4.330 HA3 :: 3.916 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.000 Ave N Shift Values>> N :: 109.91(4.29) L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 R 0.43 G 0.09 K 0.02 C Shift Assignments>> C :: 177.300 CA :: 56.900 CB :: 43.200 CG :: 28.100 CD1 :: 25.700 CD2 :: 26.200 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 :: 7.402 HA :: 4.004 HB2 :: 1.540 HB3 :: 1.540 HG :: 1.750 HD1 :: 1.080 HD2 :: 0.970 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 :: 119.600 Ave N Shift Values>> N :: 121.98(4.07) K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 R 0.45 M 0.01 HN Overlap>> E108 C Shift Assignments>> C :: 176.700 CA :: 57.330 CB :: 30.600 CG :: 25.000 CD :: 28.100 CE :: 41.810 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 :: 7.997 HA :: 3.930 HB2 :: 1.921 HB3 :: 1.744 HG2 :: 1.376 HG3 :: 1.376 HD2 :: 1.620 HD3 :: 1.740 HE2 :: 2.950 HE3 :: 3.050 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 :: 115.350 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.35 M 0.05 G 0.02 C Shift Assignments>> C :: 176.600 CA :: 55.600 CB :: 32.600 CG :: 25.160 CD :: 29.470 CE :: 42.520 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 :: 7.033 HA :: 4.383 HB2 :: 2.010 HB3 :: 1.740 HG2 :: 1.380 HG3 :: 1.380 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 2.980 HE3 :: 2.980 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 :: 114.600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 R 0.4 G 0.04 M 0.01 A 0.01 C Shift Assignments>> C :: 176.300 CA :: 53.100 CB :: 32.730 CG :: 24.500 CD :: 27.340 CE :: 42.500 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 :: 6.908 HA :: 4.612 HB2 :: 2.039 HB3 :: 2.039 HG2 :: 1.300 HG3 :: 1.300 HD2 :: 1.772 HD3 :: 1.772 HE2 :: 2.870 HE3 :: 3.120 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 :: 117.300 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.300 CA :: 57.300 CB :: 64.900 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.320 HA :: 4.370 HB2 :: 4.090 HB3 :: 4.320 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 :: 118.000 Ave N Shift Values>> N :: 116.3(3.95) A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.31 I 0.05 C Shift Assignments>> C :: 180.700 CA :: 55.530 CB :: 18.100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.832 HA :: 4.044 HB :: 1.443 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.600 Ave N Shift Values>> N :: 123.23(3.7) D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 K 0.18 L 0.18 D 0.15 I 0.07 R 0.02 C Shift Assignments>> C :: 175.000 CA :: 57.400 CB :: 40.600 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 :: 8.301 HA :: 4.340 HB2 :: 2.563 HB3 :: 2.563 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 :: 116.300 Ave N Shift Values>> N :: 120.73(4.2) D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 K 0.2 L 0.18 D 0.14 I 0.07 R 0.03 C Shift Assignments>> C :: 178.600 CA :: 57.420 CB :: 40.710 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 :: 7.774 HA :: 4.560 HB2 :: 2.960 HB3 :: 2.960 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 :: 122.200 Ave N Shift Values>> N :: 120.73(4.2) V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> A14 C Shift Assignments>> C :: 178.600 CA :: 67.900 CB :: 31.300 CG1 :: 22.300 CG2 :: 23.900 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 :: 8.350 HA :: 3.450 HB :: 2.245 HG1 :: 0.970 HG2 :: 0.976 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 :: 122.100 Ave N Shift Values>> N :: 121.02(4.96) K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 K 0.39 G 0.04 M 0.01 C Shift Assignments>> C :: 178.400 CA :: 60.100 CB :: 31.900 CG :: 26.200 CD :: 29.900 CE :: 42.570 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 :: 7.640 HA :: 3.870 HB2 :: 1.990 HB3 :: 1.810 HG2 :: 1.150 HG3 :: 1.150 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 2.840 HE3 :: 2.840 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 :: 118.100 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.24 G 0.09 M 0.01 C Shift Assignments>> C :: 179.800 CA :: 60.600 CB :: 33.000 CG :: 26.600 CD :: 30.180 CE :: 42.900 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 :: 7.566 HA :: 4.030 HB2 :: 2.203 HB3 :: 1.860 HG2 :: 1.420 HG3 :: 1.420 HD2 :: 1.730 HD3 :: 1.730 HE2 :: 2.910 HE3 :: 2.960 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 :: 118.800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.100 CA :: 66.800 CB :: 31.200 CG1 :: 21.000 CG2 :: 23.100 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 :: 7.864 HA :: 3.367 HB :: 2.590 HG1 :: 0.960 HG2 :: 1.160 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 :: 120.900 Ave N Shift Values>> N :: 121.02(4.96) F47 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 F 0.19 E 0.03 V 0.01 C Shift Assignments>> C :: 175.800 CA :: 62.000 CB :: 38.000 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 :: 8.004 HA :: 2.925 HB2 :: 3.130 HB3 :: 2.690 HD1 :: 6.195 HD2 :: 6.195 HE1 :: 6.850 HE2 :: 6.850 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 :: 119.600 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HA > HB2 : 0.9952) H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 E 0.16 Q 0.15 I 0.14 R 0.13 H 0.13 L 0.02 M 0.02 V 0.01 C Shift Assignments>> C :: 176.500 CA :: 58.800 CB :: 28.700 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 :: 7.862 HA :: 4.137 HB2 :: 3.219 HB3 :: 3.219 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 :: 113.450 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.500 CA :: 64.300 CB :: 38.000 CG1 :: 29.200 CG2 :: 17.400 CD1 :: 13.700 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 :: 7.233 HA :: 3.508 HB :: 1.753 HG2 :: 0.710 HG12 :: 1.730 HG13 :: 0.940 HD1 :: 0.720 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 :: 118.200 Ave N Shift Values>> N :: 121.6(4.72) L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 A 0.14 R 0.02 HN Overlap>> K28 C Shift Assignments>> C :: 176.700 CA :: 55.700 CB :: 41.300 CG :: 25.700 CD1 :: 25.700 CD2 :: 21.900 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 :: 7.049 HA :: 3.692 HB2 :: 1.340 HB3 :: 0.980 HG :: 1.570 HD1 :: 0.590 HD2 :: 0.510 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 :: 118.700 Ave N Shift Values>> N :: 121.98(4.07) D51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.66 F 0.17 L 0.09 E 0.03 M 0.02 C Shift Assignments>> C :: 176.700 CA :: 52.000 CB :: 38.600 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 :: 7.043 HA :: 4.130 HB2 :: 2.421 HB3 :: 1.420(S) 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 :: 117.900 Ave N Shift Values>> N :: 120.73(4.2) K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.28 M 0.04 G 0.01 C Shift Assignments>> C :: 178.100 CA :: 59.500 CB :: 32.300 CG :: 24.600 CD :: 29.310 CE :: 42.140 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 :: 7.390 HA :: 3.758 HB2 :: 1.790 HB3 :: 1.790 HG2 :: 1.370 HG3 :: 1.500 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 2.947 HE3 :: 2.947 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 :: 125.800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.63 F 0.19 L 0.11 E 0.03 M 0.01 I 0.01 C Shift Assignments>> C :: 175.800 CA :: 52.700 CB :: 38.800 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 :: 8.536 HA :: 4.500 HB2 :: 2.990 HB3 :: 2.620 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 :: 115.700 Ave N Shift Values>> N :: 120.73(4.2) K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 L 0.22 K 0.14 G 0.07 C Shift Assignments>> C :: 176.700 CA :: 56.200 CB :: 28.400 CG :: 24.400 CD :: 28.200 CE :: 42.950 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 :: 7.749 HA :: 3.924 HB2 :: 2.010 HB3 :: 1.830 HG2 :: 1.270 HG3 :: 1.330 HD2 :: 1.500 HD3 :: 1.500 HE2 :: 2.840 HE3 :: 2.840 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 :: 116.900 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.400 CA :: 59.100 CB :: 64.400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.030 HA :: 4.333 HB2 :: 4.070 HB3 :: 3.806 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 :: 117.700 Ave N Shift Values>> N :: 116.3(3.95) G56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.16 F 0.02 D 0.01 C Shift Assignments>> C :: 172.000 CA :: 44.600 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.840(S) HA2 :: 4.127 HA3 :: 3.394 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.900 Ave N Shift Values>> N :: 109.91(4.29) F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.33 G 0.12 D 0.06 F 0.05 K 0.05 C Shift Assignments>> C :: 173.600 CA :: 56.200 CB :: 43.770 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 :: 7.914 HA :: 5.260 HB2 :: 2.643 HB3 :: 2.643 HD1 :: 6.950 HD2 :: 6.950 HE1 :: 7.400 HE2 :: 7.400 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 :: 115.700 Ave N Shift Values>> N :: 120.69(4.18) I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.300 CA :: 61.100 CB :: 38.800 CG1 :: 26.500 CG2 :: 18.100 CD1 :: 13.900 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 :: 9.296 HA :: 4.320 HB :: 1.710 HG2 :: 0.790 HG12 :: 1.250 HG13 :: 1.250 HD1 :: 0.307 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 :: 121.200 Ave N Shift Values>> N :: 121.6(4.72) E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 M 0.18 K 0.07 I 0.06 Q 0.02 C Shift Assignments>> C :: 177.100 CA :: 55.600 CB :: 30.500 CG :: 36.840 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 :: 8.694 HA :: 4.480 HB2 :: 2.374 HB3 :: 1.957 HG2 :: 2.297 HG3 :: 2.297 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 :: 126.700 Ave N Shift Values>> N :: 120.68(3.68) E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 E 0.34 K 0.05 M 0.01 Q 0.01 C Shift Assignments>> C :: 177.900 CA :: 61.300 CB :: 29.600 CG :: 36.300 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 :: 9.154 HA :: 3.651 HB2 :: 2.027 HB3 :: 2.122 HG2 :: 2.120 HG3 :: 2.210 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 :: 122.100 Ave N Shift Values>> N :: 120.68(3.68) D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 D 0.27 L 0.16 I 0.07 K 0.05 E 0.02 C Shift Assignments>> C :: 178.000 CA :: 56.460 CB :: 39.720 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 :: 8.717 HA :: 4.360 HB2 :: 2.660 HB3 :: 2.660 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 :: 115.300 Ave N Shift Values>> N :: 120.73(4.2) E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 M 0.22 Q 0.18 R 0.11 H 0.09 E 0.07 V 0.05 HN Overlap>> L5 C Shift Assignments>> C :: 178.600 CA :: 57.250 CB :: 32.900 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 :: 7.450 HA :: 4.200 HB2 :: 1.920 HB3 :: 1.920 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 :: 119.300 Ave N Shift Values>> N :: 120.68(3.68) L63 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.45 G 0.01 C Shift Assignments>> C :: 178.200 CA :: 57.000 CB :: 42.000 CG :: 32.800(S) CD1 :: 23.900 CD2 :: 26.100 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 :: 8.210 HA :: 3.900 HB2 :: 1.780 HB3 :: 1.505 HD1 :: 0.890 HD2 :: 0.887 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 :: 123.300 Ave N Shift Values>> N :: 121.98(4.07) G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 175.900 CA :: 46.800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.097 HA2 :: 3.960 HA3 :: 3.890 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.430 Ave N Shift Values>> N :: 109.91(4.29) S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.600 CA :: 57.600 CB :: 63.700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.340 HA :: 4.870 HB2 :: 4.090 HB3 :: 3.860 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 :: 114.100 Ave N Shift Values>> N :: 116.3(3.95) I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.400 CA :: 65.100 CB :: 37.800 CG1 :: 29.100 CG2 :: 16.200 CD1 :: 13.700 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 :: 7.677 HA :: 4.008 HB :: 2.200 HG2 :: 0.727 HG12 :: 1.781 HG13 :: 1.255 HD1 :: 0.980 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 :: 122.400 Ave N Shift Values>> N :: 121.6(4.72) L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 A 0.02 C Shift Assignments>> C :: 180.400 CA :: 58.300 CB :: 40.700 CG :: 26.200 CD1 :: 24.300 CD2 :: 21.800 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 :: 8.712 HA :: 4.019 HB2 :: 1.871 HB3 :: 1.114 HG :: 1.150 HD1 :: 0.489 HD2 :: -0.094 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 :: 118.900 Ave N Shift Values>> N :: 121.98(4.07) K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.18 G 0.1 M 0.02 C Shift Assignments>> C :: 178.700 CA :: 57.400 CB :: 32.890 CG :: 27.120 CD :: 30.290 CE :: 43.300 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 :: 7.430 HA :: 4.703 HB2 :: 1.820 HB3 :: 1.900 HG2 :: 1.380 HG3 :: 1.280 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 3.060 HE3 :: 3.000 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 :: 117.300 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 173.700 CA :: 45.800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.711 HA2 :: 3.750 HA3 :: 3.291 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.500 Ave N Shift Values>> N :: 109.91(4.29) F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 F 0.43 E 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 175.500 CA :: 60.200 CB :: 39.200 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 :: 7.617 HA :: 4.326 HB2 :: 3.448 HB3 :: 3.063 HD1 :: 6.720 HD2 :: 6.720 HE1 :: 6.390 HE2 :: 6.390 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 :: 117.060 Ave N Shift Values>> N :: 120.69(4.18) S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.500 CA :: 57.800 CB :: 64.700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.030 HA :: 4.576 HB2 :: 3.620 HB3 :: 3.620 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 :: 112.200 Ave N Shift Values>> N :: 116.3(3.95) S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.700 CA :: 61.900 CB :: 63.050 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.993 HA :: 4.323 HB2 :: 3.982 HB3 :: 3.982 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 :: 123.900 Ave N Shift Values>> N :: 116.3(3.95) D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.54 L 0.22 F 0.12 K 0.08 R 0.01 C Shift Assignments>> C :: 175.900 CA :: 53.400 CB :: 40.500 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 :: 8.084 HA :: 4.593 HB2 :: 2.660 HB3 :: 2.660 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 :: 118.500 Ave N Shift Values>> N :: 120.73(4.2) A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 L 0.34 M 0.17 K 0.02 C Shift Assignments>> C :: 176.100 CA :: 51.900 CB :: 22.200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.760 HA :: 4.210 HB :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.100 Ave N Shift Values>> N :: 123.23(3.7) R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.2 K 0.09 L 0.01 C Shift Assignments>> C :: 175.600 CA :: 54.700 CB :: 30.900 CG :: 26.500 CD :: 43.700 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 :: 8.159 HA :: 4.325 HB2 :: 1.950 HB3 :: 1.790 HG2 :: 1.140 HG3 :: 1.440 HD2 :: 3.140 HD3 :: 3.050 HE :: 6.974 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 :: 116.800 NE :: 119.400 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.27 K 0.18 F 0.11 R 0.05 C Shift Assignments>> C :: 178.300 CA :: 54.300 CB :: 41.300 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 :: 8.078 HA :: 4.720 HB2 :: 2.550 HB3 :: 2.310 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 :: 117.060 Ave N Shift Values>> N :: 120.73(4.2) L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 A 0.35 R 0.07 G 0.01 C Shift Assignments>> C :: 178.200 CA :: 54.200 CB :: 41.900 CG :: 26.800 CD1 :: 25.600 CD2 :: 21.200 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 :: 8.774 HA :: 4.306 HB2 :: 1.846 HB3 :: 1.508 HG :: 1.510 HD1 :: 0.321 HD2 :: -0.016 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 :: 121.100 Ave N Shift Values>> N :: 121.98(4.07) S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 175.900 CA :: 56.900 CB :: 66.000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.219 HA :: 4.547 HB2 :: 4.520 HB3 :: 4.150 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 :: 119.400 Ave N Shift Values>> N :: 116.3(3.95) A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.26 I 0.06 C Shift Assignments>> C :: 180.200 CA :: 55.600 CB :: 17.600 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.111 HA :: 4.193 HB :: 1.476 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.800 Ave N Shift Values>> N :: 123.23(3.7) K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.27 M 0.05 G 0.04 C Shift Assignments>> C :: 179.800 CA :: 59.500 CB :: 32.600 CG :: 24.500 CD :: 29.700 CE :: 42.600 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 :: 8.390 HA :: 4.040 HB2 :: 1.880 HB3 :: 1.750 HG2 :: 1.360 HG3 :: 1.360 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 2.950 HE3 :: 2.950 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 :: 118.700 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.37 M 0.11 HN Overlap>> V99 C Shift Assignments>> C :: 180.100 CA :: 59.100 CB :: 31.900 CG :: 38.100 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 :: 8.032 HA :: 4.055 HB2 :: 2.550 HB3 :: 1.930 HG2 :: 2.460 HG3 :: 2.700 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 :: 120.200 Ave N Shift Values>> N :: 120.68(3.68) T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.900 CA :: 67.400 CB :: 67.400 CG2 :: 22.500 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 :: 8.860 HA :: 4.240 HB :: 3.570 HG2 :: 1.119 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 :: 117.500 Ave N Shift Values>> N :: 115.7(5.05) K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.33 G 0.02 M 0.02 C Shift Assignments>> C :: 179.800 CA :: 59.700 CB :: 32.300 CG :: 25.400 CD :: 29.200 CE :: 42.400 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 :: 8.300 HA :: 3.948 HB2 :: 1.930 HB3 :: 1.930 HG2 :: 1.540 HG3 :: 1.390 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 2.930 HE3 :: 2.930 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 :: 122.300 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.200 CA :: 68.800 CB :: 66.800 CG2 :: 21.800 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 :: 8.000 HA :: 4.322 HB :: 3.937 HG2 :: 1.330 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 :: 117.200 Ave N Shift Values>> N :: 115.7(5.05) L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 R 0.23 K 0.03 G 0.01 C Shift Assignments>> C :: 177.800 CA :: 57.700 CB :: 41.800 CG :: 27.000 CD1 :: 24.300 CD2 :: 26.800 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 :: 7.746 HA :: 4.017 HB2 :: 1.937 HB3 :: 1.558 HG :: 1.570 HD1 :: 0.790 HD2 :: 0.830 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 :: 124.100 Ave N Shift Values>> N :: 121.98(4.07) M86 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 R 0.16 C Shift Assignments>> C :: 177.700 CA :: 57.300 CB :: 31.200 CG :: 45.500(M) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.695 HA :: 4.200 HB2 :: 2.140 HB3 :: 1.900 HG2 :: 2.510 HG3 :: 2.590 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.100 Ave N Shift Values>> N :: 120.1(3.88) A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.29 I 0.04 C Shift Assignments>> C :: 179.800 CA :: 55.000 CB :: 17.000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.991 HA :: 4.230 HB :: 1.943 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.900 Ave N Shift Values>> N :: 123.23(3.7) A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.34 C Shift Assignments>> C :: 179.100 CA :: 53.700 CB :: 18.800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.370 HA :: 4.201 HB :: 1.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.700 Ave N Shift Values>> N :: 123.23(3.7) G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 173.100 CA :: 46.100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.149 HA2 :: 4.150 HA3 :: 3.270 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.700 Ave N Shift Values>> N :: 109.91(4.29) D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.59 L 0.18 F 0.16 K 0.03 C Shift Assignments>> C :: 177.000 CA :: 53.500 CB :: 39.800 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 :: 8.519 HA :: 4.763 HB2 :: 2.881 HB3 :: 2.471 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 :: 120.200 Ave N Shift Values>> N :: 120.73(4.2) K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.35 G 0.03 M 0.03 C Shift Assignments>> C :: 178.500 CA :: 57.000 CB :: 33.000 CG :: 24.900 CD :: 28.800 CE :: 42.700 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 :: 8.791 HA :: 4.206 HB2 :: 1.920 HB3 :: 1.920 HG2 :: 1.540 HG3 :: 1.540 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 2.990 HE3 :: 2.990 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 :: 127.000 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.51 L 0.21 F 0.18 K 0.06 I 0.01 C Shift Assignments>> C :: 177.500 CA :: 54.200 CB :: 40.080 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 :: 8.665 HA :: 4.640 HB2 :: 2.700 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 :: 117.700 Ave N Shift Values>> N :: 120.73(4.2) G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 175.500 CA :: 46.900 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.286 HA2 :: 3.970 HA3 :: 3.830 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.000 Ave N Shift Values>> N :: 109.91(4.29) D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.59 L 0.2 F 0.13 K 0.05 C Shift Assignments>> C :: 177.500 CA :: 53.100 CB :: 40.200 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 :: 8.862 HA :: 4.528 HB2 :: 2.810 HB3 :: 2.420 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 :: 120.800 Ave N Shift Values>> N :: 120.73(4.2) G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 173.100 CA :: 46.300 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.070 HA2 :: 3.919 HA3 :: 3.569 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.600 Ave N Shift Values>> N :: 109.91(4.29) K96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.65 M 0.13 A 0.11 R 0.08 G 0.01 C Shift Assignments>> C :: 173.900 CA :: 54.300 CB :: 35.800 CG :: 23.200 CD :: 29.400 CE :: 41.600 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 :: 7.617 HA :: 4.688 HB2 :: 1.620 HB3 :: 1.470 HG2 :: 0.750 HG3 :: 0.950 HD2 :: 0.750(S) HD3 :: 0.950 HE2 :: 1.860(S) HE3 :: 2.160(S) 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 :: 116.300 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.400 CA :: 60.100 CB :: 40.200 CG1 :: 27.600 CG2 :: 17.500 CD1 :: 13.700 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 :: 8.453 HA :: 4.682 HB :: 1.964 HG2 :: 1.127 HG12 :: 1.684 HG13 :: 1.684 HD1 :: 0.863 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 :: 118.800 Ave N Shift Values>> N :: 121.6(4.72) G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.23 R 0.18 F 0.02 D 0.02 C Shift Assignments>> C :: 174.300 CA :: 44.500 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.502 HA2 :: 4.860 HA3 :: 3.960 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.800 Ave N Shift Values>> N :: 109.91(4.29) V99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> E81 C Shift Assignments>> C :: 177.400 CA :: 65.400 CB :: 31.000 CG1 :: 19.500 CG2 :: 22.000 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 :: 8.040 HA :: 2.204(S) HB :: 1.352 HG1 :: 0.739 HG2 :: 0.512 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 :: 120.300 Ave N Shift Values>> N :: 121.02(4.96) E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 I 0.36 K 0.14 Q 0.05 C Shift Assignments>> C :: 180.0 CA :: 59.200 CB :: 28.200 CG :: 36.200 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 :: 8.310 HA :: 4.109 HB2 :: 1.990 HB3 :: 1.990 HG2 :: 2.270 HG3 :: 2.270 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 :: 122.500 Ave N Shift Values>> N :: 120.68(3.68) E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 E 0.27 M 0.01 K 0.01 C Shift Assignments>> C :: 179.600 CA :: 59.300 CB :: 30.100 CG :: 38.800 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 :: 7.910 HA :: 4.041 HB2 :: 2.550 HB3 :: 2.440 HG2 :: 2.430 HG3 :: 2.550 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 :: 121.500 Ave N Shift Values>> N :: 120.68(3.68) F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 F 0.33 K 0.01 C Shift Assignments>> C :: 175.900 CA :: 62.000 CB :: 40.260 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 :: 8.938 HA :: 3.950 HB2 :: 3.035 HB3 :: 3.035 HD1 :: 7.030 HD2 :: 7.030 HE1 :: 7.150 HE2 :: 7.150 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 :: 122.136 Ave N Shift Values>> N :: 120.69(4.18) S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.33 T 0.31 I 0.25 F 0.04 S 0.02 C Shift Assignments>> C :: 176.000 CA :: 62.400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.216 HA :: 3.855 HB2 :: 4.780 HB3 :: 4.780 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 :: 114.190 Ave N Shift Values>> N :: 116.3(3.95) T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.500 CA :: 66.700 CB :: 68.600 CG2 :: 21.900 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 :: 8.181 HA :: 3.887 HB :: 4.185 HG2 :: 1.183 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 :: 120.300 Ave N Shift Values>> N :: 115.7(5.05) L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.08 G 0.04 C Shift Assignments>> C :: 179.400 CA :: 57.500 CB :: 42.500 CG :: 26.600 CD1 :: 24.000 CD2 :: 24.800 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 :: 7.937 HA :: 4.070 HB2 :: 1.720 HB3 :: 1.720 HG :: 1.534 HD1 :: 0.604 HD2 :: 0.632 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 :: 122.600 Ave N Shift Values>> N :: 121.98(4.07) V106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.800 CA :: 66.200 CB :: 31.500 CG1 :: 21.900 CG2 :: 21.900 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 :: 7.538 HA :: 3.050 HB :: 1.663 HG1 :: 0.435 HG2 :: -0.350(S) 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 :: 117.400 Ave N Shift Values>> N :: 121.02(4.96) A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.46 I 0.01 C Shift Assignments>> C :: 179.600 CA :: 54.600 CB :: 18.700 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.920 HA :: 4.120 HB :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.300 Ave N Shift Values>> N :: 123.23(3.7) E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 K 0.15 I 0.13 M 0.06 Q 0.04 HN Overlap>> K36 C Shift Assignments>> C :: 176.700 CA :: 56.700 CB :: 29.400 CG :: 36.600 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 :: 7.967 HA :: 4.250 HB2 :: 2.167 HB3 :: 2.056 HG2 :: 2.330 HG3 :: 2.540 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 :: 115.400 Ave N Shift Values>> N :: 120.68(3.68) S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 178.300 CA :: 62.300 CB :: 64.400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.607 HA :: 4.154 HB2 :: 4.140 HB3 :: 4.220 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 :: 122.700 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 101 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 108 #Suspicious: 1 C Shift Results: #Consistent: 434 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 609 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 108 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: F47 SRO Rule Break>> HA > HB2 : 0.995201919232307 D51 HB3 = 1.420(S), Expected = 2.70, Std = 0.2900, ChiSquare = 1.0158e-05 G56 H = 10.840(S), Expected = 8.34, Std = 0.7400, ChiSquare = 7.2915e-04 L63 Typing: Mistyped L63 CG = 32.800(S), Expected = 26.77, Std = 1.2500, ChiSquare = 1.4071e-06 M86 Typing: Mistyped M86 CG = 45.500(M), Expected = 32.07, Std = 1.4500, ChiSquare = 2.0051e-20 K96 HD2 = 0.750(S), Expected = 1.61, Std = 0.2500, ChiSquare = 5.8171e-04 K96 HE2 = 1.860(S), Expected = 2.93, Std = 0.2000, ChiSquare = 8.7954e-08 K96 HE3 = 2.160(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.1812e-04 V99 HA = 2.204(S), Expected = 4.16, Std = 0.5700, ChiSquare = 6.0008e-04 V106 HG2 = -0.350(S), Expected = 0.83, Std = 0.2900, ChiSquare = 4.7222e-05