S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.9800 CB :: 64.1800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.1660 HA :: 4.754 HB2 :: 3.811 HB3 :: 3.147 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 :: 117.500 Ave N Shift Values>> N :: 116.3(3.95) P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.48 P 0.38 C 0.08 I 0.02 C Shift Assignments>> C :: 177.200 CA :: 64.0600 CB :: 32.9400 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) T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 HN Overlap>> Y13 C Shift Assignments>> CA :: 60.5200 CB :: 70.3400 CG2 :: 22.4100 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 :: 8.2700 HA :: 4.5620 HB :: 4.1300 HG2 :: 1.2690 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 :: 118.300 Ave N Shift Values>> N :: 115.7(5.05) P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.31 C Shift Assignments>> C :: 176.600 CA :: 63.8700 CB :: 32.7500 CG :: 28.0900 CD :: 51.7600 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 :: 4.4850 HB2 :: 1.9220 HB3 :: 2.2830 HG2 :: 2.0030 HG3 :: 2.0420 HD2 :: 3.7080 HD3 :: 3.8570 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) V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.32 C Shift Assignments>> C :: 175.800 CA :: 62.0100 CB :: 34.6100 CG1 :: 20.6400 CG2 :: 22.1300 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 :: 7.9480 HA :: 4.4200 HB :: 2.0400 HG1 :: 0.8940 HG2 :: 0.9270 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 :: 117.800 Ave N Shift Values>> N :: 121.02(4.96) E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.22 E 0.17 C Shift Assignments>> C :: 175.400 CA :: 55.4900 CB :: 33.4100 CG :: 36.5100 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 :: 8.8240 HA :: 4.50 HB2 :: 1.9320 HG2 :: 2.1220 HG3 :: 2.2180 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 :: 123.900 Ave N Shift Values>> N :: 120.68(3.68) L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 C 0.26 L 0.25 R 0.15 C Shift Assignments>> C :: 177.400 CA :: 54.3700 CB :: 44.4900 CG :: 28.6200 CD1 :: 25.1100 CD2 :: 25.6700 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 :: 8.2640 HA :: 5.2700 HB2 :: 1.2380 HB3 :: 1.5300 HG :: 1.5300 HD1 :: 0.6820 HD2 :: 0.7560 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 :: 124.600 Ave N Shift Values>> N :: 121.98(4.07) H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 Q 0.21 C 0.2 K 0.18 H 0.05 E 0.05 R 0.04 V 0.01 C Shift Assignments>> C :: 173.500 CA :: 55.4900 CB :: 33.6800 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 :: 8.9610 HA :: 4.7390 HB2 :: 2.5850 HB3 :: 2.8810 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 :: 119.300 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.32 R 0.3 M 0.02 G 0.01 C Shift Assignments>> C :: 176.200 CA :: 56.1600 CB :: 33.5000 CG :: 25.8800 CD :: 29.9200 CE :: 42.33 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 :: 8.8280 HA :: 5.0240 HB2 :: 1.7130 HB3 :: 1.8310 HG2 :: 1.2910 HG3 :: 1.4300 HD2 :: 1.6100 HE2 :: 2.8500 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 :: 125.000 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.36 I 0.01 C Shift Assignments>> C :: 174.200 CA :: 61.0800 CB :: 36.6600 CG1 :: 21.0100 CG2 :: 21.9400 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 :: 8.7580 HA :: 4.5200 HB :: 1.7800 HG1 :: 0.6440 HG2 :: 0.6810 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 :: 124.800 Ave N Shift Values>> N :: 121.02(4.96) T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 173.300 CA :: 62.3800 CB :: 71.8400 CG2 :: 22.5000 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 :: 8.5920 HA :: 5.1320 HB :: 3.7040 HG2 :: 0.8260 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 :: 123.800 Ave N Shift Values>> N :: 115.7(5.05) L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.2 L 0.08 R 0.02 C Shift Assignments>> C :: 175.300 CA :: 52.6900 CB :: 45.6100 CG :: 27.9000 CD1 :: 27.9000 CD2 :: 24.7400 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 :: 9.1220 HA :: 4.8560 HB2 :: 1.3360 HB3 :: 1.6290 HG :: 1.4760 HD1 :: 0.7690 HD2 :: 0.7990 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 :: 125.000 Ave N Shift Values>> N :: 121.98(4.07) Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 L 0.19 K 0.17 C 0.12 F 0.1 Y 0.07 D 0.05 G 0.01 I 0.01 HN Overlap>> T3 C Shift Assignments>> C :: 175.400 CA :: 57.3500 CB :: 42.6300 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 :: 8.2350 HA :: 5.5420 HB2 :: 2.6650 HB3 :: 3.1070 HD2 :: 7.2030 HE1 :: 6.7530 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 :: 118.400 Ave N Shift Values>> N :: 120.79(4.69) K14 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.58 K 0.18 R 0.07 M 0.06 G 0.04 A 0.03 C Shift Assignments>> C :: 175.100 CA :: 55.1100 CB :: 36.1000 CG :: 23.0600 CD :: 29.5800 CE :: 42.6300 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 :: 8.7170 HA :: 4.6310 HB2 :: 1.2010 HB3 :: 1.6060 HG2 :: 0.7820 HG3 :: 0.8470 HD2 :: -0.2430(M) HD3 :: 0.6980(S) HE2 :: 2.5290 HE3 :: 2.3080 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 :: 120.200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.24 D 0.11 C 0.11 G 0.06 K 0.06 F 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 177.400 CA :: 54.5600 CB :: 43.3700 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 :: 7.9720 HA :: 4.7300 HB2 :: 2.6700 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 :: 120.900 Ave N Shift Values>> N :: 120.73(4.2) S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.800 CA :: 60.3300 CB :: 64.4600 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.3740 HA :: 4.3300 HB2 :: 3.8710 HB3 :: 3.9060 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 :: 115.500 Ave N Shift Values>> N :: 116.3(3.95) G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.06 C Shift Assignments>> C :: 174.700 CA :: 46.1700 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.7670 HA2 :: 3.8600 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.900 Ave N Shift Values>> N :: 109.91(4.29) M18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.39 Q 0.1 E 0.06 HN Overlap>> L50 H61 C Shift Assignments>> C :: 176.700 CA :: 55.8600 CB :: 33.8700 CG :: 33.1700 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 :: 7.7720 HA :: 4.4620 HB2 :: 1.9890 HB3 :: 2.1220 HG2 :: 2.6150 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) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.38 M 0.11 I 0.07 K 0.02 Q 0.01 C Shift Assignments>> C :: 175.900 CA :: 57.5400 CB :: 31.0700 CG :: 36.8500 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 :: 8.3840 HA :: 4.1590 HB2 :: 1.9230 HB3 :: 2.082 HG2 :: 2.239 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) D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.18 D 0.15 C 0.12 G 0.11 K 0.04 F 0.02 N 0.02 Y 0.02 C Shift Assignments>> C :: 175.100 CA :: 53.0600 CB :: 43.3700 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 :: 7.6860 HA :: 4.5450 HB2 :: 2.6660 HB3 :: 3.1820 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 :: 116.600 Ave N Shift Values>> N :: 120.73(4.2) F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.22 I 0.19 C 0.17 K 0.06 L 0.03 D 0.01 R 0.01 C Shift Assignments>> C :: 177.500 CA :: 59.9600 CB :: 40.5800 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 :: 8.6070 HA :: 4.4230 HB2 :: 2.7070 HB3 :: 3.5700 HD2 :: 7.0510 HE1 :: 7.1640 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 :: 112.900 Ave N Shift Values>> N :: 120.69(4.18) G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.57 A 0.12 C 0.11 N 0.06 G 0.05 D 0.02 C Shift Assignments>> C :: 176.300 CA :: 48.7800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.2350 HA2 :: 3.7000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.100 Ave N Shift Values>> N :: 109.91(4.29) F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.17 F 0.14 C 0.12 Y 0.11 R 0.1 D 0.08 I 0.02 C Shift Assignments>> C :: 172.600 CA :: 57.1600 CB :: 41.7000 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 :: 7.4270 HA :: 5.4100 HB2 :: 3.0070 HB3 :: 3.1590 HD2 :: 6.9430 HE1 :: 6.8120 HZ :: 6.7570 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 :: 115.400 Ave N Shift Values>> N :: 120.69(4.18) S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.76 T 0.23 C Shift Assignments>> C :: 174.300 CA :: 56.2300 CB :: 66.8600 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.8460 HA :: 4.9100 HB2 :: 3.8930 HB3 :: 3.9490 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 :: 117.400 Ave N Shift Values>> N :: 116.3(3.95) V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 I 0.18 V 0.06 C Shift Assignments>> C :: 175.000 CA :: 59.4000 CB :: 36.4600 CG1 :: 19.6200 CG2 :: 24.0800 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 :: 8.4350 HA :: 5.5070 HB :: 2.1030 HG1 :: 0.7660 HG2 :: 0.8540 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 :: 113.800 Ave N Shift Values>> N :: 121.02(4.96) A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.19 K 0.14 M 0.05 A 0.04 R 0.03 P 0.02 C Shift Assignments>> C :: 176.300 CA :: 51.7600 CB :: 23.9900 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.1070 HA :: 4.7700 HB :: 1.3140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.900 Ave N Shift Values>> N :: 123.23(3.7) D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.26 C 0.11 D 0.09 K 0.07 G 0.05 F 0.04 Y 0.03 HN Overlap>> I39 C Shift Assignments>> C :: 178.800 CA :: 55.3000 CB :: 43.3700 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 :: 8.4890 HA :: 5.4600 HB2 :: 2.6060 HB3 :: 2.9700 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 :: 121.000 Ave N Shift Values>> N :: 120.73(4.2) G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 174.500 CA :: 46.7300 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.9370 HA2 :: 3.9530 HA3 :: 4.2210 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.000 Ave N Shift Values>> N :: 109.91(4.29) L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.27 G 0.06 K 0.05 C Shift Assignments>> C :: 178.000 CA :: 56.9800 CB :: 43.0000 CD1 :: 24.3600 CD2 :: 25.2900 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 :: 8.2900 HA :: 4.3750 HB2 :: 1.5590 HB3 :: 1.6200 HD1 :: 0.8610 HD2 :: 0.8910 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) L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.3 R 0.25 G 0.04 C Shift Assignments>> C :: 177.100 CA :: 56.4200 CB :: 43.0000 CG :: 27.9600 CD1 :: 23.8000 CD2 :: 25.8500 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 :: 8.2340 HA :: 4.3050 HB2 :: 1.600 HB3 :: 1.6940 HG :: 1.5440 HD1 :: 0.8460 HD2 :: 0.8900 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 :: 119.500 Ave N Shift Values>> N :: 121.98(4.07) E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.26 M 0.24 Q 0.01 I 0.01 C Shift Assignments>> C :: 175.500 CA :: 55.4900 CB :: 32.3800 CG :: 36.4800 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 :: 7.6230 HA :: 4.4480 HB2 :: 1.9140 HB3 :: 2.0920 HG2 :: 2.2470 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 :: 118.200 Ave N Shift Values>> N :: 120.68(3.68) K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.32 R 0.28 G 0.02 M 0.01 C Shift Assignments>> C :: 176.900 CA :: 57.1600 CB :: 33.6800 CG :: 25.7000 CD :: 29.3900 CE :: 42.6300 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 :: 8.2710 HA :: 4.3940 HB2 :: 1.8420 HG2 :: 1.5020 HG3 :: 1.5550 HD2 :: 1.7310 HE2 :: 3.0220 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 :: 121.200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 172.800 CA :: 45.0500 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.4940 HA2 :: 4.0950 HA3 :: 4.3530 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.200 Ave N Shift Values>> N :: 109.91(4.29) V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.38 C Shift Assignments>> C :: 174.600 CA :: 62.0100 CB :: 34.4300 CG1 :: 22.1300 CG2 :: 23.4300 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 :: 8.4120 HA :: 4.7850 HB :: 1.8340 HG1 :: 0.9560 HG2 :: 0.9430 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 :: 119.100 Ave N Shift Values>> N :: 121.02(4.96) Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.27 C 0.12 K 0.07 G 0.06 D 0.05 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.000 CA :: 56.2300 CB :: 43.5000 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 :: 8.9790 HA :: 5.4330 HB2 :: 2.6000 HD2 :: 7.0590 HE1 :: 6.6440 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 :: 124.300 Ave N Shift Values>> N :: 120.79(4.69) V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 176.000 CA :: 64.0600 CB :: 32.9800 CG1 :: 23.2400 CG2 :: 23.4300 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 :: 9.067 HA :: 4.1780 HB :: 2.1520 HG1 :: 0.7140 HG2 :: 0.7940 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 :: 121.200 Ave N Shift Values>> N :: 121.02(4.96) K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 R 0.09 K 0.08 G 0.03 V 0.01 C Shift Assignments>> C :: 174.500 CA :: 56.6100 CB :: 34.6100 CG :: 24.02 CD :: 25.02 CE :: 42.4270 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 :: 9.0320 HA :: 4.3590 HB2 :: 1.4080 HB3 :: 1.6910 HG2 :: 1.3060 HD2 :: 1.2110 HE2 :: 2.909 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 :: 131.000 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.2 L 0.14 C 0.11 F 0.06 K 0.06 Y 0.05 R 0.01 C Shift Assignments>> C :: 174.000 CA :: 53.0600 CB :: 40.7600 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 :: 7.7920 HA :: 4.6710 HB2 :: 2.6400 HB3 :: 2.7440 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 :: 115.400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> D27 C Shift Assignments>> C :: 176.100 CA :: 60.3300 CB :: 40.7600 CG1 :: 28.4600 CG2 :: 18.7700 CD1 :: 13.9300 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 :: 8.5290 HA :: 4.4660 HB :: 1.6440 HG2 :: 0.7340 HG12 :: 0.686 HG13 :: 1.2780 HD1 :: 0.4630 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 :: 120.900 Ave N Shift Values>> N :: 121.6(4.72) R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.35 G 0.19 K 0.05 C Shift Assignments>> CA :: 54.7400 CB :: 31.6300 CG :: 27.600 CD :: 44.090 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 :: 8.2250 HA :: 4.6310 HB2 :: 1.7950 HG2 :: 1.6250 HG3 :: 1.6540 HD2 :: 3.2760 HD3 :: 3.3300 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 :: 131.100 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.61 P 0.36 S 0.01 C Shift Assignments>> C :: 177.700 CA :: 64.9900 CB :: 32.1900 CG :: 28.4600 CD :: 52.3200 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 :: 4.3050 HB2 :: 1.9310 HB3 :: 2.3370 HG2 :: 2.0080 HG3 :: 2.1650 HD2 :: 3.6720 HD3 :: 4.2370 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) A42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.48 M 0.46 C 0.02 I 0.01 C Shift Assignments>> C :: 176.800 CA :: 54.3400 CB :: 18.0300 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.8100(S) HA :: 3.8900 HB :: 1.6100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.700 Ave N Shift Values>> N :: 123.23(3.7) G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> CA :: 45.9800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.9420 HA2 :: 3.7740 HA3 :: 4.6680 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.100 Ave N Shift Values>> N :: 109.91(4.29) P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.71 P 0.27 C Shift Assignments>> C :: 180.100 CA :: 66.8600 CB :: 32.7500 CG :: 29.8100 CD :: 50.0800 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 :: 4.4160 HB2 :: 2.3610 HB3 :: 2.9640 HG2 :: 2.3030 HG3 :: 2.3450 HD2 :: 3.2400 HD3 :: 3.9900 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) G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.4 C 0.2 G 0.17 A 0.11 N 0.05 D 0.02 C Shift Assignments>> C :: 173.400 CA :: 48.4000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.2150 HA2 :: 3.3740 HA3 :: 3.8270 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.000 Ave N Shift Values>> N :: 109.91(4.29) D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.2 K 0.13 C 0.12 F 0.09 Y 0.06 D 0.04 G 0.02 C Shift Assignments>> C :: 180.600 CA :: 57.3500 CB :: 43.0000 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 :: 8.6250 HA :: 4.3320 HB2 :: 2.8470 HB3 :: 2.8990 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 :: 124.200 Ave N Shift Values>> N :: 120.73(4.2) L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.35 R 0.2 K 0.01 C Shift Assignments>> C :: 179.900 CA :: 58.1000 CB :: 41.8800 CG :: 27.9000 CD1 :: 23.0600 CD2 :: 25.8500 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 :: 8.5950 HA :: 4.0450 HB2 :: 1.5790 HB3 :: 1.7980 HG :: 1.7100 HD1 :: 0.8670 HD2 :: 0.8670 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 :: 119.000 Ave N Shift Values>> N :: 121.98(4.07) G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.200 CA :: 45.6100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.088 HA2 :: 3.5000 HA3 :: 4.3500 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.900 Ave N Shift Values>> N :: 109.91(4.29) G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 175.600 CA :: 45.9800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.5870 HA2 :: 3.8300 HA3 :: 4.2200 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.900 Ave N Shift Values>> N :: 109.91(4.29) L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.26 C 0.23 R 0.06 HN Overlap>> M18 H61 C Shift Assignments>> C :: 175.500 CA :: 55.4900 CB :: 44.4900 CG :: 26.9700 CD1 :: 25.8500 CD2 :: 24.1800 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 :: 7.8070 HA :: 3.9700 HB2 :: 1.0170 HB3 :: 1.1560 HG :: 1.3500 HD1 :: 0.0670 HD2 :: 0.2890 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 :: 119.700 Ave N Shift Values>> N :: 121.98(4.07) K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.34 R 0.24 G 0.05 M 0.01 C Shift Assignments>> CA :: 53.4400 CB :: 34.4300 CG :: 25.3200 CD :: 29.2100 CE :: 42.8100 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 :: 8.6830 HA :: 4.6040 HB2 :: 1.6200 HG2 :: 1.2400 HG3 :: 1.2850 HD2 :: 1.4800 HD3 :: 1.6140 HE2 :: 2.8000 HE3 :: 2.9100 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) P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.33 C Shift Assignments>> C :: 178.200 CA :: 64.4300 CB :: 32.0000 CG :: 29.0200 CD :: 51.3900 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 :: 3.7230 HB2 :: 1.7110 HB3 :: 2.1250 HG2 :: 1.8170 HG3 :: 2.1500 HD2 :: 3.4930 HD3 :: 3.6910 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) Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.25 V 0.11 Y 0.09 E 0.06 F 0.05 C Shift Assignments>> C :: 175.100 CA :: 62.2000 CB :: 36.3200 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 :: 9.2410 HA :: 3.9550 HB2 :: 3.3880 HD2 :: 6.9640 HE1 :: 6.7460 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 :: 118.900 Ave N Shift Values>> N :: 120.79(4.69) D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.19 R 0.12 F 0.11 C 0.11 D 0.1 Y 0.09 I 0.01 N 0.01 C Shift Assignments>> C :: 176.100 CA :: 56.6100 CB :: 41.8800 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 :: 7.8290 HA :: 4.8020 HB2 :: 2.2350 HB3 :: 2.5780 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 :: 122.900 Ave N Shift Values>> N :: 120.73(4.2) R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 G 0.33 R 0.23 K 0.02 C Shift Assignments>> C :: 177.200 CA :: 55.3000 CB :: 32.4600 CG :: 27.9000 CD :: 44.6800 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 :: 9.2400 HA :: 4.5260 HB2 :: 1.6530 HB3 :: 2.1300 HG2 :: 0.9220 HG3 :: 1.0780 HD2 :: 2.8590 HD3 :: 3.1320 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 :: 124.400 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.32 L 0.14 K 0.09 C Shift Assignments>> C :: 176.800 CA :: 56.4200 CB :: 41.5900 CG :: 29.2100 CD1 :: 26.2300 CD2 :: 26.4100 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 :: 8.5380 HA :: 4.2460 HB2 :: 1.0710 HB3 :: 1.5050 HG :: 1.4550 HD1 :: 0.6220 HD2 :: 0.7260 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 :: 125.000 Ave N Shift Values>> N :: 121.98(4.07) L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 R 0.26 L 0.26 G 0.11 A 0.02 C Shift Assignments>> C :: 178.400 CA :: 56.0500 CB :: 43.5600 CG :: 27.5300 CD1 :: 22.6100 CD2 :: 26.7900 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 :: 9.0330 HA :: 4.1130 HB2 :: 1.4030 HG :: 1.5280 HD1 :: 0.6720 HD2 :: 0.7620 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 :: 128.900 Ave N Shift Values>> N :: 121.98(4.07) Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.3 E 0.09 Q 0.02 C Shift Assignments>> C :: 174.500 CA :: 56.4200 CB :: 34.8000 CG :: 33.8700 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 :: 7.8700 HA :: 4.965 HB2 :: 1.850 HB3 :: 2.078 HG2 :: 1.754 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 :: 121.300 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.32 C Shift Assignments>> C :: 175.200 CA :: 61.8200 CB :: 34.2000 CG1 :: 22.3100 CG2 :: 21.7500 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 :: 8.4800 HA :: 4.2520 HB :: 1.8160 HG1 :: 0.6860 HG2 :: 0.7530 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 :: 124.300 Ave N Shift Values>> N :: 121.02(4.96) N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.19 Y 0.16 N 0.11 F 0.09 M 0.05 I 0.03 D 0.03 K 0.02 C Shift Assignments>> C :: 176.600 CA :: 55.8600 CB :: 37.2200 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 :: 9.6930 HA :: 4.276 HB2 :: 2.9550 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 :: 126.600 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.16 Q 0.15 E 0.15 C 0.13 H 0.13 R 0.11 I 0.06 M 0.03 L 0.02 HN Overlap>> M18 L50 C Shift Assignments>> C :: 174.600 CA :: 57.9100 CB :: 29.0200 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 :: 7.8220 HA :: 4.3220 HB2 :: 3.3230 HB3 :: 3.3890 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 :: 119.800 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 175.900 CA :: 62.9400 CB :: 33.5000 CG1 :: 22.3100 CG2 :: 22.1300 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 :: 8.2440 HA :: 3.9810 HB :: 2.1210 HG1 :: 0.8150 HG2 :: 0.8980 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 :: 124.200 Ave N Shift Values>> N :: 121.02(4.96) R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.38 G 0.12 K 0.08 C Shift Assignments>> C :: 177.300 CA :: 57.9100 CB :: 30.3300 CG :: 28.6500 CD :: 43.7500 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 :: 8.6800 HA :: 4.2770 HB2 :: 1.7730 HB3 :: 1.9410 HG2 :: 1.5780 HG3 :: 1.7640 HD2 :: 3.1770 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 :: 128.300 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T64 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 :: 176.300 CA :: 62.0100 CB :: 69.2800 CG2 :: 21.3300 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 :: 7.9840 HA :: 3.3800 HB :: 4.1700 HG2 :: 0.6270 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 :: 115.200 Ave N Shift Values>> N :: 115.7(5.05) R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.38 G 0.15 K 0.06 C Shift Assignments>> C :: 176.600 CA :: 61.0800 CB :: 31.4400 CG :: 27.5100 CD :: 43.5300 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 :: 7.3070 HA :: 3.8440 HB2 :: 1.6660 HB3 :: 1.9060 HG2 :: 1.4480 HG3 :: 1.5250 HD2 :: 3.1440 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 :: 125.000 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.21 K 0.13 C 0.1 N 0.08 F 0.07 Y 0.05 R 0.05 C Shift Assignments>> C :: 175.900 CA :: 54.0000 CB :: 41.5100 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 :: 8.4180 HA :: 4.9610 HB2 :: 2.5000 HB3 :: 2.9720 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 :: 115.200 Ave N Shift Values>> N :: 120.73(4.2) F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 D 0.18 Y 0.18 C 0.16 L 0.11 N 0.07 K 0.04 I 0.02 C Shift Assignments>> C :: 174.200 CA :: 56.0500 CB :: 40.0200 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 :: 7.3560 HA :: 4.7400 HB2 :: 3.2020 HB3 :: 3.3600 HD2 :: 6.9490 HE1 :: 7.2810 HZ :: 7.2580 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 :: 121.500 Ave N Shift Values>> N :: 120.69(4.18) D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.24 R 0.12 C 0.12 D 0.07 F 0.01 Y 0.01 K 0.01 C Shift Assignments>> C :: 178.600 CA :: 52.6900 CB :: 44.1200 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 :: 7.0790 HA :: 4.9930 HB2 :: 2.8490 HB3 :: 3.1750 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 :: 115.600 Ave N Shift Values>> N :: 120.73(4.2) C69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 P 0.45 C 0.04 V 0.02 C Shift Assignments>> C :: 176.900 CA :: 65.7400 CB :: 27.5300 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 10.5200 HA :: 3.9450 HB2 :: 2.8010 HB3 :: 3.0330 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 :: 122.300 Ave N Shift Values>> N :: 119.95(4.79) C70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.33 C 0.1 R 0.05 K 0.01 Q 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.600 CA :: 62.0100 CB :: 26.7900 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.3480 HA :: 4.1720 HB2 :: 2.9600 HB3 :: 3.0630 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 :: 117.400 Ave N Shift Values>> N :: 119.95(4.79) L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.27 G 0.22 R 0.11 A 0.01 C Shift Assignments>> C :: 179.000 CA :: 56.4200 CB :: 44.3000 CG :: 27.3400 CD1 :: 25.8500 CD2 :: 22.8700 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 :: 7.4590 HA :: 4.3360 HB2 :: 1.1420 HB3 :: 1.5600 HG :: 1.5910 HD1 :: 0.3300 HD2 :: 0.5620 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 :: 118.200 Ave N Shift Values>> N :: 121.98(4.07) V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 176.900 CA :: 66.1100 CB :: 33.5000 CG1 :: 23.2400 CG2 :: 25.8500 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 :: 7.9580 HA :: 4.0550 HB :: 2.0960 HG1 :: 1.0300 HG2 :: 1.2230 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 :: 119.100 Ave N Shift Values>> N :: 121.02(4.96) V73 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> CA :: 70.0200(M) CB :: 30.7000 CG1 :: 21.3800 CG2 :: 24.5500 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 :: 8.3240 HA :: 3.7350 HB :: 2.2530 HG1 :: 0.9640 HG2 :: 1.0680 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 :: 121.100 Ave N Shift Values>> N :: 121.02(4.96) P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.54 P 0.45 C Shift Assignments>> C :: 179.000 CA :: 66.4800 CB :: 31.8200 CG :: 28.8400 CD :: 51.2500 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 :: 4.4510 HB2 :: 1.8100 HB3 :: 2.3530 HG2 :: 1.9730 HG3 :: 2.0880 HD2 :: 3.5050 HD3 :: 3.5580 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) L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 C 0.34 R 0.22 G 0.06 C Shift Assignments>> C :: 180.600 CA :: 57.9100 CB :: 43.0000 CG :: 27.1600 CD1 :: 23.6200 CD2 :: 26.6000 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 :: 6.8700 HA :: 4.1300 HB2 :: 1.5290 HB3 :: 2.0880 HG :: 1.9610 HD1 :: 0.9520 HD2 :: 1.0000 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 :: 116.100 Ave N Shift Values>> N :: 121.98(4.07) I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 179.000 CA :: 65.9200 CB :: 38.9000 CG1 :: 30.1400 CG2 :: 18.0300 CD1 :: 14.4900 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 :: 7.7320 HA :: 3.5100 HB :: 1.9580 HG2 :: 0.9360 HG12 :: 0.8240 HG13 :: 1.8140 HD1 :: 0.7490 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 :: 119.500 Ave N Shift Values>> N :: 121.6(4.72) A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.37 C 0.04 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 179.800 CA :: 55.3000 CB :: 19.1400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.0740 HA :: 4.2140 HB :: 1.5350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.300 Ave N Shift Values>> N :: 123.23(3.7) E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.08 I 0.06 K 0.06 Q 0.02 C Shift Assignments>> C :: 177.300 CA :: 56.6100 CB :: 30.1400 CG :: 36.7000 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 :: 7.6030 HA :: 4.4640 HB2 :: 2.0520 HB3 :: 2.2630 HG2 :: 2.4330 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 :: 115.200 Ave N Shift Values>> N :: 120.68(3.68) S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.900 CA :: 60.1500 CB :: 64.8100 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.4010 HA :: 4.2440 HB2 :: 4.0050 HB3 :: 4.0760 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 :: 114.700 Ave N Shift Values>> N :: 116.3(3.95) G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 174.900 CA :: 45.9800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.222 HA2 :: 3.8700 HA3 :: 4.1010 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.200 Ave N Shift Values>> N :: 109.91(4.29) N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 D 0.21 C 0.16 Y 0.13 F 0.12 L 0.06 E 0.01 I 0.01 C Shift Assignments>> C :: 174.000 CA :: 54.5600 CB :: 39.2700 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 :: 8.6820 HA :: 4.688 HB2 :: 2.75 HB3 :: 3.51 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 :: 119.700 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.31 K 0.2 M 0.03 G 0.01 C Shift Assignments>> C :: 174.100 CA :: 55.6700 CB :: 36.2900 CG :: 25.1100 CD :: 30.3300 CE :: 42.2500 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 :: 7.6640 HA :: 5.2310 HB2 :: 1.6510 HB3 :: 1.7340 HG2 :: 1.0050 HD2 :: 0.8300 HE2 :: 2.9670 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 :: 120.800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.45 C 0.39 L 0.13 R 0.01 C Shift Assignments>> C :: 174.000 CA :: 54.1800 CB :: 46.3500 CG :: 27.3400 CD1 :: 27.7200 CD2 :: 24.7400 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 :: 8.6210 HA :: 4.5560 HB2 :: 0.4800(S) HB3 :: 0.8110 HG :: 0.9190 HD1 :: 0.3830 HD2 :: 0.7400 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 :: 128.500 Ave N Shift Values>> N :: 121.98(4.07) D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.22 D 0.12 C 0.11 G 0.07 K 0.06 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 175.700 CA :: 54.1800 CB :: 43.3700 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 :: 8.3730 HA :: 5.1890 HB2 :: 2.5190 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 :: 127.400 Ave N Shift Values>> N :: 120.73(4.2) L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 G 0.31 L 0.08 C Shift Assignments>> C :: 177.700 CA :: 53.6200 CB :: 47.2900 CG :: 27.3400 CD1 :: 27.1400 CD2 :: 26.0400 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 :: 9.2560 HA :: 5.2660 HB2 :: 1.0620 HB3 :: 1.6740 HG :: 1.3140 HD1 :: 0.4020 HD2 :: 0.8580 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 :: 123.600 Ave N Shift Values>> N :: 121.98(4.07) V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 176.400 CA :: 63.5000 CB :: 33.8700 CG1 :: 21.750 CG2 :: 21.750 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 :: 8.1240 HA :: 4.7500 HB :: 1.6680 HG1 :: 0.8010 HG2 :: 0.8380 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) I87 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 G 0.27 A 0.09 R 0.01 C Shift Assignments>> C :: 175.400 CA :: 56.9600 CB :: 43.8000 CG1 :: 27.6600 CG2 :: 22.1300 CD1 :: 16.7300 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 :: 9.1480 HA :: 5.7490 HB :: 1.9380 HG2 :: 0.6350 HG12 :: 0.9880 HG13 :: 1.3790 HD1 :: 0.6480 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 :: 121.800 Ave N Shift Values>> N :: 121.6(4.72) S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.56 T 0.43 C Shift Assignments>> C :: 173.300 CA :: 56.6100 CB :: 67.2300 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.8990 HA :: 5.6510 HB2 :: 3.6340 HB3 :: 3.8460 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 :: 114.700 Ave N Shift Values>> N :: 116.3(3.95) R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 G 0.27 R 0.06 K 0.03 C Shift Assignments>> C :: 174.900 CA :: 55.11000 CB :: 35.3600 CG :: 26.7700 CD :: 43.9900 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 :: 8.7830 HA :: 4.9800 HB2 :: 1.700 HB3 :: 2.1600 HG2 :: 1.3900 HG3 :: 1.4790 HD2 :: 3.045 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 :: 121.300 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.2 C 0.14 Y 0.04 F 0.04 L 0.03 C Shift Assignments>> CA :: 51.7600 CB :: 39.0900 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 :: 8.9970 HA :: 5.2000 HB2 :: 2.6900 HB3 :: 2.9000 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 :: 123.800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> CA :: 65.5500 CB :: 32.9700 CG :: 27.9000 CD :: 51.3900 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 :: 4.1890 HB2 :: 1.9100 HB3 :: 2.1980 HG2 :: 1.9250 HG3 :: 2.0180 HD2 :: 3.7230 HD3 :: 3.8150 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) ########################################################################### Overall Results: #Consistent: 86 #Clerical: 0 #Suspicious: 2 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 90 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 91 #Suspicious: 0 C Shift Results: #Consistent: 368 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 468 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 N Shift Results: #Consistent: 84 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: K14 HD2 = -0.2430(M), Expected = 1.61, Std = 0.2500, ChiSquare = 1.2441e-13 K14 HD3 = 0.6980(S), Expected = 1.61, Std = 0.2500, ChiSquare = 2.6429e-04 A42 H = 10.8100(S), Expected = 8.20, Std = 0.6000, ChiSquare = 1.3614e-05 V73 CA = 70.0200(M), Expected = 62.48, Std = 3.0400, ChiSquare = 1.3129e-02 L83 HB2 = 0.4800(S), Expected = 1.63, Std = 0.3400, ChiSquare = 7.1868e-04 I87 Typing: Mistyped