Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.37 A 0.15 C Shift Assignments>> C :: 175.6900 CA :: 55.3400 CB :: 32.4700 CG :: 31.7000 CE :: 16.9900 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 :: 8.2300 HA :: 4.3900 HB2 :: 2.0200 HB3 :: 1.9100 HG2 :: 2.4700 HG3 :: 2.3900 HE1 :: 1.9200 HE2 :: 1.9200 HE3 :: 1.9200 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 :: 120.5400 Ave N Shift Values>> N :: 120.1(3.88) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.19 L 0.13 C 0.12 F 0.08 Y 0.08 K 0.05 HN Overlap>> 1.D150 1.D150 C Shift Assignments>> C :: 176.0900 CA :: 53.9200 CB :: 40.4100 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 :: 8.2000 HA :: 4.4700 HB2 :: 2.6600 HB3 :: 1.7900 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 :: 121.4900 Ave N Shift Values>> N :: 120.73(4.2) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.26 C 0.02 C Shift Assignments>> C :: 177.3700 CA :: 52.8600 CB :: 18.3900 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2000 HA :: 4.2000 HB1 :: 1.4020 HB2 :: 1.4020 HB3 :: 1.4020 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.4300 Ave N Shift Values>> N :: 123.23(3.7) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1000 CA :: 58.6970 CB :: 63.5410 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.1300 HA :: 4.2970 HB2 :: 3.8890 HB3 :: 3.6880 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 :: 113.1200 Ave N Shift Values>> N :: 116.3(3.95) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.17 K 0.16 R 0.11 H 0.1 W 0.08 Q 0.07 E 0.06 V 0.01 C Shift Assignments>> C :: 175.4800 CA :: 55.2700 CB :: 32.2700 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 :: 7.8300 HA :: 4.4700 HB2 :: 1.8020 HB3 :: 1.6710 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 :: 122.8900 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 174.9600 CA :: 60.1480 CB :: 39.8100 CG1 :: 26.9880 CG2 :: 17.5300 CD1 :: 13.1300 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 :: 7.8700 HA :: 4.1750 HB :: 1.7400 HG12 :: 1.3690 HG13 :: 1.0720 HG21 :: 0.9030 HG22 :: 0.9030 HG23 :: 0.9030 HD11 :: 0.7500 HD12 :: 0.7500 HD13 :: 0.7500 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 :: 122.1900 Ave N Shift Values>> N :: 121.6(4.72) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 C 0.11 K 0.11 N 0.1 F 0.09 Y 0.08 R 0.02 HN Overlap>> 1.A156 1.A156 C Shift Assignments>> C :: 175.4700 CA :: 54.5560 CB :: 40.9300 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 :: 8.3950 HA :: 4.4400 HB2 :: 2.6460 HB3 :: 2.5350 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 :: 125.3580 Ave N Shift Values>> N :: 120.73(4.2) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.25 M 0.19 Q 0.13 R 0.11 E 0.01 C Shift Assignments>> CA :: 53.6200 CB :: 29.6200 CG :: 32.0800 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.0800 HA :: 4.2500 HB2 :: 1.9100 HB3 :: 1.9790 HG2 :: 2.3600 HG3 :: 2.3100 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 :: 120.7200 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> CA :: 62.2520 CB :: 32.2900 CG :: 26.2910 CD :: 49.8860 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 :: 4.4480 HB2 :: 1.7040 HB3 :: 2.0330 HG2 :: 1.4050 HD2 :: 2.8990 HD3 :: 3.1130 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.22 R 0.13 C 0.1 K 0.1 N 0.04 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> C :: 177.1900 CA :: 53.3690 CB :: 42.5400 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 :: 8.3500 HA :: 4.5730 HB2 :: 2.6160 HB3 :: 2.6960 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 :: 118.9800 Ave N Shift Values>> N :: 120.73(4.2) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 K 0.34 C 0.24 R 0.03 C Shift Assignments>> C :: 178.2100 CA :: 57.7760 CB :: 41.7300 CG :: 27.2100 CD1 :: 24.5700 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 :: 8.3900 HA :: 3.8680 HB2 :: 1.5630 HB3 :: 1.6310 HG :: 1.6870 HD11 :: 0.8670 HD12 :: 0.8670 HD13 :: 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 :: 123.5500 Ave N Shift Values>> N :: 121.98(4.07) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 179.3000 CA :: 54.3440 CB :: 18.3700 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4800 HA :: 4.1340 HB1 :: 1.3980 HB2 :: 1.3980 HB3 :: 1.3980 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.7400 Ave N Shift Values>> N :: 123.23(3.7) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.16 K 0.04 M 0.03 C Shift Assignments>> C :: 178.6200 CA :: 58.2420 CB :: 29.8500 CG :: 36.9900 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 :: 7.7600 HA :: 4.0400 HB2 :: 2.1680 HB3 :: 2.0550 HG2 :: 2.3260 HG3 :: 2.2270 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 :: 117.5000 Ave N Shift Values>> N :: 120.68(3.68) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.7500 CA :: 65.2960 CB :: 32.5700 CG1 :: 21.0500 CG2 :: 22.9500 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 :: 7.4500 HA :: 3.7820 HB :: 2.1890 HG11 :: 1.0160 HG12 :: 1.0160 HG13 :: 1.0160 HG21 :: 0.9920 HG22 :: 0.9920 HG23 :: 0.9920 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 :: 118.8900 Ave N Shift Values>> N :: 121.02(4.96) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 178.5800 CA :: 53.9800 CB :: 17.7900 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2200 HA :: 4.1400 HB1 :: 1.3900 HB2 :: 1.3900 HB3 :: 1.3900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.8400 Ave N Shift Values>> N :: 123.23(3.7) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.23 C 0.14 Y 0.06 F 0.05 L 0.04 C Shift Assignments>> C :: 174.7900 CA :: 52.7390 CB :: 39.2200 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 :: 7.7000 HA :: 4.7270 HB2 :: 2.6520 HB3 :: 2.8690 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 :: 113.8900 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.24 C 0.03 L 0.01 C Shift Assignments>> C :: 177.3700 CA :: 53.0960 CB :: 19.6350 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.4100 HA :: 4.1580 HB1 :: 1.4280 HB2 :: 1.4280 HB3 :: 1.4280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.7600 Ave N Shift Values>> N :: 123.23(3.7) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.6800 CA :: 56.8110 CB :: 63.9830 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.2800 HA :: 4.5580 HB2 :: 3.7550 HB3 :: 3.7230 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 :: 115.8700 Ave N Shift Values>> N :: 116.3(3.95) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.22 K 0.17 G 0.05 R 0.03 C Shift Assignments>> C :: 176.1500 CA :: 55.1000 CB :: 43.1140 CG :: 26.9100 CD1 :: 24.3200 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 :: 8.2200 HA :: 4.1000 HB2 :: 1.6900 HB3 :: 1.4800 HG :: 1.2630 HD11 :: 0.8500 HD12 :: 0.8500 HD13 :: 0.8500 HD21 :: 0.8500 HD22 :: 0.8500 HD23 :: 0.8500 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 :: 125.6500 Ave N Shift Values>> N :: 121.98(4.07) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.28 C 0.12 L 0.11 F 0.05 Y 0.05 K 0.03 C Shift Assignments>> C :: 176.8500 CA :: 52.6350 CB :: 40.3700 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 :: 8.5000 HA :: 4.6920 HB2 :: 2.8250 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 :: 125.3100 Ave N Shift Values>> N :: 120.73(4.2) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.18 M 0.01 C Shift Assignments>> C :: 178.3100 CA :: 59.1800 CB :: 32.0700 CG :: 25.6700 CD :: 28.9400 CE :: 41.7100 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 :: 8.5400 HA :: 3.8890 HB2 :: 1.9060 HB3 :: 1.8220 HG2 :: 1.5510 HG3 :: 1.4230 HD2 :: 1.7200 HD3 :: 1.6800 HE2 :: 3.0300 HE3 :: 2.9700 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 :: 124.6300 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.02 C Shift Assignments>> C :: 177.6900 CA :: 57.9000 CB :: 31.7400 CG :: 25.1900 CD :: 29.0000 CE :: 41.6200 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 :: 8.2300 HA :: 4.1950 HB2 :: 1.9580 HB3 :: 1.8380 HG2 :: 1.5090 HG3 :: 1.4540 HD2 :: 1.7200 HD3 :: 1.6700 HE2 :: 3.0300 HE3 :: 2.9700 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 :: 117.6400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.2 M 0.15 E 0.08 R 0.03 C Shift Assignments>> C :: 174.9500 CA :: 54.9870 CB :: 29.9700 CG :: 33.5700 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.0300 HA :: 4.2490 HB2 :: 2.0280 HB3 :: 2.4800 HG2 :: 2.6500 HG3 :: 2.1950 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 :: 115.7700 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 177.2000 CA :: 63.4000 CB :: 32.2900 CG1 :: 23.1500 CG2 :: 22.1600 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 :: 7.2800 HA :: 4.2520 HB :: 2.2030 HG11 :: 1.0450 HG12 :: 1.0450 HG13 :: 1.0450 HG21 :: 1.1960 HG22 :: 1.1960 HG23 :: 1.1960 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 :: 120.1700 Ave N Shift Values>> N :: 121.02(4.96) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 175.3100 CA :: 60.6400 CB :: 39.5000 CG1 :: 26.4700 CG2 :: 18.8100 CD1 :: 14.4700 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 :: 9.0200 HA :: 4.6960 HB :: 2.2110 HG12 :: 1.0040 HG13 :: 0.8280 HG21 :: 0.9170 HG22 :: 0.9170 HG23 :: 0.9170 HD11 :: 0.8440 HD12 :: 0.8440 HD13 :: 0.8440 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 :: 120.8200 Ave N Shift Values>> N :: 121.6(4.72) 1.G29 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 :: 172.2200 CA :: 46.1700 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.6500 HA2 :: 4.1400 HA3 :: 4.6020 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.2900 Ave N Shift Values>> N :: 109.91(4.29) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.3 R 0.15 G 0.04 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 172.6900 CA :: 55.3380 CB :: 34.5300 CG :: 27.5800 CD :: 42.8600 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 :: 8.9000 HA :: 5.2400 HB2 :: 1.8730 HB3 :: 1.7900 HG2 :: 1.5430 HD2 :: 3.0800 HD3 :: 2.9090 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 :: 121.5600 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 I 0.27 A 0.01 C Shift Assignments>> C :: 172.6200 CA :: 57.8750 CB :: 41.5100 CG1 :: 28.8000 CG2 :: 15.4500 CD1 :: 15.1100 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 :: 9.4000 HA :: 5.6280 HB :: 1.4210 HG12 :: 1.6830 HG13 :: 0.7310 HG21 :: 0.9170 HG22 :: 0.9170 HG23 :: 0.9170 HD11 :: 0.6730 HD12 :: 0.6730 HD13 :: 0.6730 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 :: 120.3400 Ave N Shift Values>> N :: 121.6(4.72) 1.S32 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 :: 174.4600 CA :: 55.5700 CB :: 65.8050 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.5500 HA :: 5.5420 HB2 :: 3.9970 HB3 :: 3.9710 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 :: 121.8600 Ave N Shift Values>> N :: 116.3(3.95) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.44 A 0.02 C Shift Assignments>> C :: 174.6100 CA :: 58.6160 CB :: 38.5300 CG1 :: 26.0600 CG2 :: 19.5200 CD1 :: 13.8700 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 :: 9.1400 HA :: 4.9850 HB :: 2.0100 HG12 :: 1.5720 HG13 :: 1.1280 HG21 :: 0.9500 HG22 :: 0.9500 HG23 :: 0.9500 HD11 :: 0.5600 HD12 :: 0.5600 HD13 :: 0.5600 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.0900 Ave N Shift Values>> N :: 121.6(4.72) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> CA :: 65.5350 CB :: 32.2100 CG :: 27.5100 CD :: 50.7700 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 :: 4.4620 HB2 :: 2.4400 HB3 :: 2.0770 HG2 :: 2.2570 HG3 :: 2.0750 HD2 :: 3.9100 HD3 :: 4.1200 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.6840 CA :: 61.2540 CB :: 62.6410 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.3230 HA :: 4.1600 HB2 :: 3.7940 HB3 :: 3.8640 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 :: 114.1520 Ave N Shift Values>> N :: 116.3(3.95) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.34 C Shift Assignments>> C :: 174.7600 CA :: 59.6950 CB :: 30.8600 CG1 :: 21.1300 CG2 :: 18.6000 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 :: 6.9600 HA :: 4.6930 HB :: 2.4450 HG11 :: 0.6890 HG12 :: 0.6890 HG13 :: 0.6890 HG21 :: 0.6170 HG22 :: 0.6170 HG23 :: 0.6170 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 :: 108.9500 Ave N Shift Values>> N :: 121.02(4.96) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.4700 CA :: 58.7110 CB :: 61.3260 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.9400 HA :: 3.9480 HB2 :: 4.0280 HB3 :: 3.8750 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 :: 115.9900 Ave N Shift Values>> N :: 116.3(3.95) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.2 L 0.19 R 0.04 C Shift Assignments>> C :: 176.1800 CA :: 54.4430 CB :: 45.6200 CD1 :: 25.7100 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 :: 7.4200 HA :: 4.6620 HB2 :: 1.5250 HB3 :: 1.5250 HD11 :: 0.8090 HD12 :: 0.8090 HD13 :: 0.8090 HD21 :: 0.9490 HD22 :: 0.9490 HD23 :: 0.9490 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.6000 Ave N Shift Values>> N :: 121.98(4.07) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 M 0.24 Q 0.04 K 0.02 I 0.01 C Shift Assignments>> C :: 174.7700 CA :: 56.1260 CB :: 31.7400 CG :: 35.9200 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 :: 8.9600 HA :: 5.2000 HB2 :: 2.0030 HB3 :: 1.9200 HG2 :: 2.1860 HG3 :: 2.0940 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 :: 130.1700 Ave N Shift Values>> N :: 120.68(3.68) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.21 L 0.1 A 0.03 C Shift Assignments>> C :: 173.3900 CA :: 51.5050 CB :: 46.6200 CG :: 26.6500 CD1 :: 23.8600 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 :: 8.7900 HA :: 5.2400 HB2 :: 1.5250 HB3 :: 1.6240 HG :: 0.8800 HD11 :: 1.2350 HD12 :: 1.2350 HD13 :: 1.2350 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 :: 123.6300 Ave N Shift Values>> N :: 121.98(4.07) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.23 C Shift Assignments>> CA :: 62.5830 CB :: 32.3700 CG :: 27.5300 CD :: 50.1220 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 :: 4.8670 HB2 :: 2.4190 HB3 :: 1.7920 HG2 :: 2.0920 HG3 :: 2.0310 HD2 :: 3.8960 HD3 :: 3.9480 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 174.8100 CA :: 61.2470 CB :: 33.1200 CG1 :: 21.5800 CG2 :: 22.2390 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 :: 7.9400 HA :: 4.7350 HB :: 1.2860 HG11 :: 0.7690 HG12 :: 0.7690 HG13 :: 0.7690 HG21 :: 0.8700 HG22 :: 0.8700 HG23 :: 0.8700 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 :: 120.4100 Ave N Shift Values>> N :: 121.02(4.96) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 C 0.27 G 0.2 L 0.18 K 0.01 C Shift Assignments>> C :: 176.8400 CA :: 53.2270 CB :: 43.7200 CG :: 28.9600 CD1 :: 25.7600 CD2 :: 26.4200 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 :: 9.2900 HA :: 5.3160 HB2 :: 1.3860 HB3 :: 1.6430 HG :: 1.4980 HD11 :: 0.7020 HD12 :: 0.7020 HD13 :: 0.7020 HD21 :: 0.7150 HD22 :: 0.7150 HD23 :: 0.7150 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 :: 128.3300 Ave N Shift Values>> N :: 121.98(4.07) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 Q 0.18 K 0.18 M 0.17 W 0.06 R 0.05 H 0.04 E 0.04 V 0.03 C Shift Assignments>> C :: 175.3000 CA :: 57.1600 CB :: 33.4800 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 :: 8.2800 HA :: 4.2500 HB2 :: 1.8610 HE2 :: 2.9900 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 :: 117.9800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5400 CA :: 58.9260 CB :: 64.3190 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.5600 HA :: 4.3970 HB2 :: 3.8850 HB3 :: 3.7820 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 :: 113.7800 Ave N Shift Values>> N :: 116.3(3.95) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1000 CA :: 56.9700 CB :: 62.1580 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.7900 HA :: 4.1240 HB2 :: 3.7970 HB3 :: 3.6380 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 :: 121.4500 Ave N Shift Values>> N :: 116.3(3.95) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.21 C Shift Assignments>> C :: 174.3400 CA :: 59.2040 CB :: 70.9190 CG2 :: 21.9000 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 :: 7.1800 HA :: 4.3750 HB :: 4.4860 HG21 :: 1.1230 HG22 :: 1.1230 HG23 :: 1.1230 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.9300 Ave N Shift Values>> N :: 115.7(5.05) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.25 K 0.06 Q 0.01 M 0.01 HN Overlap>> 1.R30 1.R30 C Shift Assignments>> C :: 178.8900 CA :: 59.7840 CB :: 29.3300 CG :: 36.4300 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 :: 8.9800 HA :: 3.9400 HB2 :: 2.0340 HB3 :: 2.0340 HG2 :: 2.3790 HG3 :: 2.2400 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 :: 121.6300 Ave N Shift Values>> N :: 120.68(3.68) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.11 C Shift Assignments>> C :: 179.6700 CA :: 58.8030 CB :: 32.4200 CG :: 24.7500 CE :: 41.7900 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 :: 8.2300 HA :: 4.0010 HB2 :: 1.7670 HB3 :: 1.6860 HG2 :: 1.4900 HG3 :: 1.4000 HE2 :: 2.9710 HE3 :: 2.9710 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 :: 115.6900 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.18 Y 0.15 N 0.14 F 0.08 M 0.05 D 0.03 I 0.02 K 0.02 C Shift Assignments>> C :: 177.9100 CA :: 55.4710 CB :: 37.1600 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 :: 7.7300 HA :: 4.3600 HB2 :: 2.9740 HB3 :: 2.4060 HD21 :: 6.8830 HD22 :: 7.8630 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 :: 120.6400 ND2 :: 110.4330 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.34 R 0.17 K 0.03 C Shift Assignments>> C :: 177.3700 CA :: 56.2450 CB :: 41.6100 CG :: 27.7700 CD1 :: 24.3700 CD2 :: 26.3700 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 :: 7.9500 HA :: 4.1480 HB2 :: 1.1480 HB3 :: 1.6680 HG :: 1.3570 HD11 :: 0.4980 HD12 :: 0.4980 HD13 :: 0.4980 HD21 :: 0.5070 HD22 :: 0.5070 HD23 :: 0.5070 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 :: 118.1200 Ave N Shift Values>> N :: 121.98(4.07) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.32 R 0.08 G 0.06 A 0.01 C Shift Assignments>> C :: 177.2700 CA :: 56.6410 CB :: 42.9300 CG :: 26.0600 CD1 :: 23.1000 CD2 :: 26.0300 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 :: 7.2000 HA :: 4.2580 HB2 :: 1.9180 HB3 :: 1.4820 HG :: 2.0900 HD11 :: 0.7150 HD12 :: 0.7150 HD13 :: 0.7150 HD21 :: 0.9070 HD22 :: 0.9070 HD23 :: 0.9070 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 :: 115.4000 Ave N Shift Values>> N :: 121.98(4.07) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.62 T 0.37 C Shift Assignments>> C :: 173.3300 CA :: 59.6830 CB :: 66.4860 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.4200 HA :: 4.5550 HB2 :: 3.8950 HB3 :: 3.5750 HG :: 5.2550 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 :: 108.7000 Ave N Shift Values>> N :: 116.3(3.95) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 169.8200 CA :: 46.6100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.2400 HA2 :: 3.8510 HA3 :: 3.8510 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.4800 Ave N Shift Values>> N :: 109.91(4.29) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 C 0.2 L 0.17 M 0.07 G 0.05 C Shift Assignments>> C :: 175.1300 CA :: 49.4350 CB :: 22.3700 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.9100 HA :: 4.5850 HB1 :: 1.1690 HB2 :: 1.1690 HB3 :: 1.1690 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.5300 Ave N Shift Values>> N :: 123.23(3.7) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 C 0.28 A 0.21 M 0.06 P 0.04 G 0.04 K 0.03 C Shift Assignments>> C :: 177.1700 CA :: 49.5640 CB :: 23.2200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.8900 HA :: 5.3460 HB1 :: 1.0390 HB2 :: 1.0390 HB3 :: 1.0390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.4300 Ave N Shift Values>> N :: 123.23(3.7) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 174.9200 CA :: 61.7390 CB :: 68.9610 CG2 :: 23.1800 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 :: 8.0900 HA :: 4.1630 HB :: 3.9840 HG21 :: 1.0470 HG22 :: 1.0470 HG23 :: 1.0470 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 :: 111.4400 Ave N Shift Values>> N :: 115.7(5.05) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 175.8100 CA :: 63.8250 CB :: 33.6500 CG1 :: 22.5400 CG2 :: 21.6500 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 :: 7.0200 HA :: 3.8320 HB :: 1.6650 HG11 :: 0.7700 HG12 :: 0.7700 HG13 :: 0.7700 HG21 :: 0.8410 HG22 :: 0.8410 HG23 :: 0.8410 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 :: 119.1000 Ave N Shift Values>> N :: 121.02(4.96) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.21 K 0.16 Q 0.16 H 0.07 R 0.06 W 0.05 E 0.02 C Shift Assignments>> C :: 176.5000 CA :: 54.2420 CB :: 33.2000 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 :: 7.5000 HA :: 4.5210 HB2 :: 1.8330 HB3 :: 1.7120 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 :: 116.8800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 I 0.07 K 0.06 Q 0.03 C Shift Assignments>> C :: 176.5000 CA :: 57.3440 CB :: 30.3790 CG :: 36.4500 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 :: 8.6500 HA :: 4.0780 HB2 :: 1.9440 HB3 :: 1.8600 HG2 :: 2.2260 HG3 :: 2.2530 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 :: 120.9800 Ave N Shift Values>> N :: 120.68(3.68) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.23 Y 0.08 D 0.07 E 0.06 F 0.05 M 0.03 C Shift Assignments>> C :: 174.5800 CA :: 53.4880 CB :: 37.4500 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 :: 8.6400 HA :: 4.5060 HB2 :: 2.8500 HB3 :: 2.8100 HD21 :: 6.8700 HD22 :: 7.5800 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 :: 115.0900 ND2 :: 113.2400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.21 E 0.2 K 0.15 M 0.13 R 0.01 I 0.01 C Shift Assignments>> C :: 175.6300 CA :: 56.2500 CB :: 30.1800 CG :: 34.6100 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 :: 7.8800 HA :: 4.2700 HB2 :: 1.9810 HB3 :: 1.7820 HG2 :: 2.2600 HG3 :: 2.2600 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 :: 116.4200 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.43 C Shift Assignments>> C :: 174.6300 CA :: 61.2270 CB :: 35.3570 CG1 :: 20.8560 CG2 :: 20.8800 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 :: 9.3900 HA :: 4.2740 HB :: 1.8250 HG11 :: 0.8600 HG12 :: 0.8600 HG13 :: 0.8600 HG21 :: 0.8570 HG22 :: 0.8570 HG23 :: 0.8570 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.3700 Ave N Shift Values>> N :: 121.02(4.96) 1.M64 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.66 M 0.23 I 0.09 C Shift Assignments>> C :: 175.4700 CA :: 59.2840 CB :: 31.2000 CG :: 34.3400 CE :: 17.9880 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 :: 8.5800 HA :: 2.6830(A) HB2 :: 0.3050(S) HB3 :: 1.2140 HG2 :: 1.2070(S) HG3 :: 2.3580 HE1 :: 2.0050 HE2 :: 2.0050 HE3 :: 2.0050 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 :: 126.0100 Ave N Shift Values>> N :: 120.1(3.88) 1.G65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 171.8900 CA :: 45.6100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.8100(S) HA2 :: 3.7940 HA3 :: 3.2520 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.5900 Ave N Shift Values>> N :: 109.91(4.29) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.23 M 0.08 A 0.01 Q 0.01 C Shift Assignments>> C :: 177.0300 CA :: 53.6230 CB :: 35.7400 CG :: 24.2121 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 :: 7.6200 HA :: 4.8870 HB2 :: 1.6120 HB3 :: 1.5250 HG2 :: 1.2620 HG3 :: 1.1820 HD2 :: 1.5910 HD3 :: 1.6400 HE2 :: 2.9600 HE3 :: 2.9090 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 :: 117.0000 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 172.3800 CA :: 45.3900 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.1900 HA2 :: 3.8450 HA3 :: 3.7690 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.0900 Ave N Shift Values>> N :: 109.91(4.29) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.3 M 0.03 Y 0.03 D 0.03 E 0.02 F 0.01 C Shift Assignments>> C :: 174.4600 CA :: 51.1790 CB :: 36.8300 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 :: 8.6610 HA :: 4.8510 HB2 :: 3.0760 HB3 :: 2.4740 HD21 :: 6.3500 HD22 :: 6.8000 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.0200 ND2 :: 105.4900 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 172.3800 CA :: 59.2500 CB :: 38.1200 CD1 :: 133.5460 CE1 :: 118.0300 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 :: 8.4900 HA :: 3.9090 HB2 :: 3.1130 HB3 :: 2.7420 HD1 :: 6.8040 HE1 :: 6.4050 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 :: 129.3100 Ave N Shift Values>> N :: 120.79(4.69) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.09 C 0.05 L 0.03 C Shift Assignments>> C :: 177.3600 CA :: 50.4090 CB :: 20.7800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.7300 HA :: 5.5380 HB1 :: 1.0930 HB2 :: 1.0930 HB3 :: 1.0930 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.9600 Ave N Shift Values>> N :: 123.23(3.7) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 G 0.16 L 0.05 HN Overlap>> 1.Y96 1.Y96 C Shift Assignments>> C :: 173.6500 CA :: 53.0390 CB :: 48.0980 CG :: 26.5400 CD1 :: 25.5400 CD2 :: 26.9500 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 :: 9.3000 HA :: 5.0480 HB2 :: 1.8500 HB3 :: 1.2010 HG :: 1.4250 HD11 :: 0.7740 HD12 :: 0.7740 HD13 :: 0.7740 HD21 :: 0.8610 HD22 :: 0.8610 HD23 :: 0.8610 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 :: 124.3700 Ave N Shift Values>> N :: 121.98(4.07) 1.A72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.33 C 0.23 L 0.17 G 0.17 M 0.05 K 0.01 C Shift Assignments>> C :: 175.5200 CA :: 49.0690 CB :: 22.7200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.1200 HA :: 5.6460(S) HB1 :: 1.0850 HB2 :: 1.0850 HB3 :: 1.0850 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.1900 Ave N Shift Values>> N :: 123.23(3.7) 1.G73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.11 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 173.6300 CA :: 43.5700 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.6300 HA2 :: 4.1410 HA3 :: 2.1620(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.2400 Ave N Shift Values>> N :: 109.91(4.29) 1.H74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 H 0.29 W 0.15 C Shift Assignments>> C :: 178.5700 CA :: 56.9220 CB :: 33.0300 CD2 :: 117.7900 CE1 :: 138.8810 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.1200 HA :: 4.7600 HB2 :: 2.8250 HB3 :: 2.6500 HD2 :: 6.7880 HE1 :: 7.5370 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 :: 119.9300 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.55 C 0.21 D 0.07 Y 0.05 F 0.03 E 0.02 M 0.02 C Shift Assignments>> CA :: 52.2070 CB :: 37.6300 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>> HA :: 4.5000 HB2 :: 3.1200 HB3 :: 3.2300 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) 1.M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.33 A 0.23 C Shift Assignments>> C :: 175.5700 CA :: 52.2160 CB :: 30.5700 CG :: 32.3200 CE :: 15.7300 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 :: 7.6700 HA :: 4.7930 HB2 :: 2.3030 HB3 :: 1.4860 HG2 :: 2.5260 HG3 :: 2.2340 HE1 :: 1.8050 HE2 :: 1.8050 HE3 :: 1.8050 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 :: 121.7500 Ave N Shift Values>> N :: 120.1(3.88) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 H 0.04 I 0.04 M 0.03 V 0.03 T 0.02 L 0.02 C Shift Assignments>> CA :: 58.7400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.6500 HA :: 4.1620 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 :: 111.5200 Ave N Shift Values>> N :: 116.3(3.95) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.3 M 0.06 Q 0.03 E 0.01 R 0.01 I 0.01 C Shift Assignments>> C :: 173.5700 CA :: 54.0600 CB :: 35.4000 CG :: 24.8600 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 :: 7.2000 HA :: 4.4940 HB2 :: 1.4750 HB3 :: 1.3900 HG2 :: 1.3980 HG3 :: 1.3980 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 :: 116.6500 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.37 R 0.11 M 0.07 V 0.04 Q 0.02 C Shift Assignments>> C :: 178.4100 CA :: 57.4940 CB :: 32.2100 CG :: 24.4600 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 :: 8.1900 HA :: 4.5050 HB2 :: 1.7500 HB3 :: 1.6800 HG2 :: 1.3170 HD2 :: 1.4980 HD3 :: 1.4980 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 :: 125.8800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.6200 CA :: 45.5190 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.0300 HA2 :: 4.0380 HA3 :: 4.0380 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.9700 Ave N Shift Values>> N :: 109.91(4.29) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 176.0100 CA :: 61.4320 CB :: 32.4610 CG1 :: 21.1700 CG2 :: 22.3700 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 :: 7.8700 HA :: 4.2890 HB :: 2.0330 HG11 :: 0.7680 HG12 :: 0.7680 HG13 :: 0.7680 HG21 :: 0.8750 HG22 :: 0.8750 HG23 :: 0.8750 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 :: 119.1400 Ave N Shift Values>> N :: 121.02(4.96) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 I 0.12 A 0.08 L 0.03 C Shift Assignments>> C :: 175.6300 CA :: 57.2450 CB :: 38.7000 CG :: 26.4400 CD1 :: 20.6700 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 :: 9.9600 HA :: 3.7700 HB2 :: 2.0920 HB3 :: 1.6120 HG :: 1.1930 HD11 :: 0.7780 HD12 :: 0.7780 HD13 :: 0.7780 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 :: 129.3700 Ave N Shift Values>> N :: 121.98(4.07) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 F 0.13 Y 0.04 HN Overlap>> 1.A107 1.A107 C Shift Assignments>> C :: 175.9800 CA :: 53.9510 CB :: 36.0400 CD1 :: 129.5000 CE1 :: 129.0200 CZ :: 128.5490 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 :: 8.8800 HA :: 5.0500 HB2 :: 2.6670 HB3 :: 3.6870 HD1 :: 6.9070 HE1 :: 7.0090 HZ :: 6.7400 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 :: 122.5600 Ave N Shift Values>> N :: 120.69(4.18) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 174.8500 CA :: 62.6800 CB :: 64.2000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.4400 HA :: 4.7100 HB2 :: 3.8510 HB3 :: 3.7380 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 :: 114.6000 Ave N Shift Values>> N :: 116.3(3.95) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.2 K 0.15 R 0.11 C 0.1 F 0.06 Y 0.04 N 0.04 C Shift Assignments>> C :: 178.2400 CA :: 54.4400 CB :: 42.0900 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 :: 9.6000 HA :: 4.8790 HB2 :: 2.2180 HB3 :: 2.7970 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 :: 115.7300 Ave N Shift Values>> N :: 120.73(4.2) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.1 C Shift Assignments>> C :: 175.3000 CA :: 65.4180 CB :: 37.4000 CG1 :: 24.6500 CG2 :: 17.0600 CD1 :: 14.9200 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 :: 6.9600 HA :: 3.5700 HB :: 1.5840 HG12 :: 1.2790 HG13 :: 0.9150 HG21 :: 0.1840 HG22 :: 0.1840 HG23 :: 0.1840 HD11 :: 0.2790 HD12 :: 0.2790 HD13 :: 0.2790 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 :: 113.7900 Ave N Shift Values>> N :: 121.6(4.72) 1.A87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.51 M 0.46 C 0.01 C Shift Assignments>> C :: 177.2300 CA :: 52.9620 CB :: 16.4900 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.8600 HA :: 3.6170 HB1 :: 0.4550(S) HB2 :: 0.4550(S) HB3 :: 0.4550(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.8500 Ave N Shift Values>> N :: 123.23(3.7) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2700 CA :: 57.9010 CB :: 63.9520 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.5600 HA :: 4.3440 HB2 :: 3.6870 HB3 :: 3.6230 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 :: 111.5200 Ave N Shift Values>> N :: 116.3(3.95) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.27 R 0.2 G 0.02 K 0.01 C Shift Assignments>> C :: 174.4300 CA :: 55.5600 CB :: 42.4500 CG :: 27.6200 CD1 :: 26.2700 CD2 :: 24.2500 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 :: 7.0500 HA :: 4.0800 HB2 :: 1.2370 HB3 :: 1.7030 HG :: 1.6910 HD11 :: 0.7540 HD12 :: 0.7540 HD13 :: 0.7540 HD21 :: 0.7730 HD22 :: 0.7730 HD23 :: 0.7730 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 :: 122.0100 Ave N Shift Values>> N :: 121.98(4.07) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.19 M 0.1 A 0.03 C Shift Assignments>> C :: 175.5100 CA :: 53.3840 CB :: 35.7400 CG :: 23.9200 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 :: 8.6500 HA :: 4.4520 HB2 :: 1.6500 HB3 :: 1.6500 HG2 :: 1.4030 HG3 :: 1.3280 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 :: 117.8800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.15 M 0.03 C Shift Assignments>> C :: 177.5400 CA :: 58.1450 CB :: 32.1800 CG :: 24.9900 CD :: 29.4400 CE :: 41.7100 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 :: 8.2600 HA :: 3.5640 HB2 :: 1.6300 HB3 :: 1.6300 HG2 :: 1.4640 HG3 :: 1.2250 HD2 :: 1.6800 HD3 :: 1.6800 HE2 :: 2.9900 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 :: 119.3800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.4300 CA :: 44.7100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.2100 HA2 :: 3.4500 HA3 :: 4.4220 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.9400 Ave N Shift Values>> N :: 109.91(4.29) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.19 D 0.18 K 0.17 F 0.12 C 0.11 Y 0.1 R 0.04 N 0.03 I 0.01 C Shift Assignments>> C :: 175.4700 CA :: 55.7230 CB :: 41.2500 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 :: 8.2500 HA :: 4.5510 HB2 :: 2.4400 HB3 :: 2.7150 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 :: 122.1900 Ave N Shift Values>> N :: 120.73(4.2) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.37 R 0.06 G 0.02 C Shift Assignments>> C :: 176.3300 CA :: 54.6630 CB :: 34.7700 CE :: 42.3800 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 :: 8.0400 HA :: 5.0220 HB2 :: 1.7540 HB3 :: 1.2530 HG2 :: 1.6300 HG3 :: 1.6300 HD2 :: 1.5300 HD3 :: 1.5300 HE2 :: 2.9400 HE3 :: 2.9400 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 :: 117.6200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.43 G 0.09 C Shift Assignments>> C :: 173.3600 CA :: 60.6090 CB :: 42.7200 CG2 :: 17.4700 CD1 :: 15.0600 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 :: 8.4600 HA :: 4.2890 HB :: 1.2890 HG12 :: 1.4000 HG13 :: 1.4000 HG21 :: 0.6900 HG22 :: 0.6900 HG23 :: 0.6900 HD11 :: 0.4280 HD12 :: 0.4280 HD13 :: 0.4280 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 :: 120.4100 Ave N Shift Values>> N :: 121.6(4.72) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.39 G 0.01 HN Overlap>> 1.L71 1.L71 C Shift Assignments>> C :: 174.7800 CA :: 56.2870 CB :: 42.0500 CD1 :: 132.7700 CE1 :: 117.8400 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 :: 9.2700 HA :: 5.5900 HB2 :: 2.9350 HB3 :: 2.5220 HD1 :: 6.8220 HE1 :: 6.5710 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 :: 124.3000 Ave N Shift Values>> N :: 120.79(4.69) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.23 L 0.14 A 0.01 C Shift Assignments>> C :: 175.1100 CA :: 52.5660 CB :: 46.3500 CD1 :: 26.4000 CD2 :: 24.2200 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 :: 9.1800 HA :: 5.4060 HB2 :: 1.9370 HB3 :: 1.6260 HD11 :: 0.5220 HD12 :: 0.5220 HD13 :: 0.5220 HD21 :: 0.7030 HD22 :: 0.7030 HD23 :: 0.7030 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 :: 121.8900 Ave N Shift Values>> N :: 121.98(4.07) 1.Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.42 G 0.03 C Shift Assignments>> C :: 176.3600 CA :: 56.7840 CB :: 42.4500 CD1 :: 132.8800 CE1 :: 119.0000 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 :: 8.8900 HA :: 5.6290 HB2 :: 2.6860 HB3 :: 3.1700 HD1 :: 6.9030 HE1 :: 6.6950 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 :: 117.8400 Ave N Shift Values>> N :: 120.79(4.69) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.24 L 0.13 C 0.11 F 0.05 K 0.04 Y 0.04 R 0.01 C Shift Assignments>> C :: 176.8500 CA :: 52.4910 CB :: 40.7500 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 :: 8.1300 HA :: 5.0300 HB2 :: 3.5770 HB3 :: 3.4320 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 :: 121.8100 Ave N Shift Values>> N :: 120.73(4.2) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.19 N 0.17 F 0.13 D 0.09 E 0.08 I 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 175.4100 CA :: 55.5600 CB :: 38.1700 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 :: 8.4100 HA :: 4.5530 HB2 :: 2.8920 HB3 :: 2.8650 HD21 :: 6.8000 HD22 :: 7.4600 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 :: 114.7900 ND2 :: 111.8700 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 E 0.18 M 0.17 I 0.01 C Shift Assignments>> C :: 175.5000 CA :: 57.7690 CB :: 33.5900 CG :: 36.3100 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 :: 8.3700 HA :: 4.5280 HB2 :: 1.9930 HB3 :: 1.8960 HG2 :: 2.1250 HG3 :: 2.1420 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.6200 Ave N Shift Values>> N :: 120.68(3.68) 1.N102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.29 D 0.18 R 0.16 C 0.12 G 0.08 K 0.06 N 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 172.2000 CA :: 52.8090 CB :: 43.0700 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 :: 9.2400 HA :: 5.2980 HB2 :: 2.2580 HB3 :: 1.5100(S) HD21 :: 6.7600 HD22 :: 7.3200 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.9100 ND2 :: 113.9800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.23 Q 0.2 K 0.15 H 0.04 W 0.03 R 0.03 N 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 174.4500 CA :: 54.1500 CB :: 34.0800 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 :: 8.6600 HA :: 4.5100 HB2 :: 1.8240 HB3 :: 1.8240 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 :: 118.2000 Ave N Shift Values>> N :: 120.68(3.68) 1.Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 173.2200 CA :: 56.4310 CB :: 39.8300 CD1 :: 134.0400 CD2 :: 134.0400 CE1 :: 118.7200 CE2 :: 118.4240 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 :: 9.5700 HA :: 4.6880 HB2 :: 2.8460 HB3 :: 2.4520 HD1 :: 6.8600 HD2 :: 6.8600 HE1 :: 6.2670 HE2 :: 6.4870 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 :: 128.7900 Ave N Shift Values>> N :: 120.79(4.69) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 C 0.16 K 0.14 R 0.12 H 0.12 W 0.09 E 0.07 Q 0.05 V 0.01 C Shift Assignments>> C :: 173.5800 CA :: 54.9750 CB :: 31.9700 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 :: 8.7300 HA :: 4.5340 HB2 :: 1.8350 HB3 :: 1.7940 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.2200 Ave N Shift Values>> N :: 120.68(3.68) 1.Y106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.4 G 0.03 C Shift Assignments>> C :: 174.2500 CA :: 55.8830 CB :: 42.3700 CD1 :: 132.7600 CE1 :: 117.3070 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 :: 9.4500 HA :: 5.3270 HB2 :: 2.6390 HB3 :: 2.2040 HD1 :: 6.5290 HE1 :: 6.0970 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.5800 Ave N Shift Values>> N :: 120.79(4.69) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 C 0.1 M 0.08 L 0.08 HN Overlap>> 1.F83 1.F83 C Shift Assignments>> C :: 176.8400 CA :: 49.9070 CB :: 21.5300 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.8000 HA :: 5.0570 HB1 :: 1.1570 HB2 :: 1.1570 HB3 :: 1.1570 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.5500 Ave N Shift Values>> N :: 123.23(3.7) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 177.8900 CA :: 63.9540 CB :: 32.4300 CG1 :: 21.4900 CG2 :: 23.9400 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 :: 9.1100 HA :: 4.0580 HB :: 2.1710 HG11 :: 0.6070 HG12 :: 0.6070 HG13 :: 0.6070 HG21 :: 0.8110 HG22 :: 0.8110 HG23 :: 0.8110 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 :: 122.1700 Ave N Shift Values>> N :: 121.02(4.96) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.1100 CA :: 61.9500 CB :: 69.4870 CG2 :: 22.2700 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 :: 10.2500 HA :: 4.4070 HB :: 4.1770 HG21 :: 1.2160 HG22 :: 1.2160 HG23 :: 1.2160 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.8000 Ave N Shift Values>> N :: 115.7(5.05) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 169.9500 CA :: 45.8200 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.3800 HA2 :: 3.9280 HA3 :: 4.0460 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.8800 Ave N Shift Values>> N :: 109.91(4.29) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 175.5300 CA :: 61.2160 CB :: 34.5100 CG1 :: 21.6100 CG2 :: 20.5600 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 :: 8.0600 HA :: 4.9440 HB :: 1.8860 HG11 :: 0.8500 HG12 :: 0.8500 HG13 :: 0.8500 HG21 :: 0.8800 HG22 :: 0.8800 HG23 :: 0.8800 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 :: 120.5000 Ave N Shift Values>> N :: 121.02(4.96) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 171.6800 CA :: 56.9040 CB :: 66.1050 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.1400 HA :: 4.8820 HB2 :: 3.7400 HB3 :: 3.6430 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 :: 121.3300 Ave N Shift Values>> N :: 116.3(3.95) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.29 M 0.21 K 0.01 I 0.01 Q 0.01 C Shift Assignments>> C :: 176.5100 CA :: 54.7170 CB :: 31.7600 CG :: 36.7800 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 :: 8.3600 HA :: 5.2100 HB2 :: 1.9080 HB3 :: 1.9910 HG2 :: 1.9620 HG3 :: 1.7430 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 :: 120.6100 Ave N Shift Values>> N :: 120.68(3.68) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.22 A 0.01 I 0.01 C Shift Assignments>> C :: 175.0800 CA :: 58.9320 CB :: 36.1500 CG1 :: 20.2200 CG2 :: 21.5000 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 :: 8.8300 HA :: 4.8280 HB :: 2.1040 HG11 :: 0.6930 HG12 :: 0.6930 HG13 :: 0.6930 HG21 :: 0.8510 HG22 :: 0.8510 HG23 :: 0.8510 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 :: 118.1200 Ave N Shift Values>> N :: 121.02(4.96) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.26 S 0.06 C Shift Assignments>> C :: 174.6400 CA :: 60.4400 CB :: 67.4900 CG2 :: 22.7400 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 :: 7.9000 HA :: 4.5400 HB :: 4.4660 HG21 :: 1.2900 HG22 :: 1.2900 HG23 :: 1.2900 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 :: 113.6900 Ave N Shift Values>> N :: 115.7(5.05) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 64.9300 CB :: 31.8300 CG :: 28.2210 CD :: 51.1610 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 :: 3.9930 HB2 :: 1.9430 HB3 :: 2.0810 HG2 :: 1.7500 HG3 :: 2.0300 HD2 :: 3.6930 HD3 :: 3.7430 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.28 C 0.13 L 0.08 Y 0.07 F 0.07 K 0.01 C Shift Assignments>> C :: 176.2200 CA :: 53.3500 CB :: 39.8300 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 :: 8.3700 HA :: 4.4380 HB2 :: 2.6220 HB3 :: 2.7080 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 :: 113.5900 Ave N Shift Values>> N :: 120.73(4.2) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.31 R 0.29 L 0.01 M 0.01 C Shift Assignments>> C :: 175.9900 CA :: 54.3600 CB :: 30.0900 CG :: 24.4900 CD :: 28.4980 CE :: 41.7800 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 :: 7.2800 HA :: 4.5240 HB2 :: 1.8640 HB3 :: 1.6860 HG2 :: 1.3330 HG3 :: 1.3860 HD2 :: 1.5520 HD3 :: 1.6600 HE2 :: 2.8850 HE3 :: 2.8850 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 :: 121.7600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.42 H 0.04 C Shift Assignments>> C :: 177.2000 CA :: 57.7780 CB :: 29.4900 CD1 :: 127.3100 CE3 :: 120.3600 CZ2 :: 114.8200 CZ3 :: 121.3800 CH2 :: 124.3500 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.9400 HA :: 4.3950 HB2 :: 3.2040 HB3 :: 3.2040 HD1 :: 7.1800 HE1 :: 10.0370 HE3 :: 7.3640 HZ2 :: 7.3640 HZ3 :: 6.8640 HH2 :: 7.0460 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 124.3600 NE1 :: 129.5970 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.28 I 0.14 K 0.13 Q 0.08 M 0.01 C Shift Assignments>> C :: 178.4900 CA :: 58.7400 CB :: 28.4300 CG :: 35.7500 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 :: 9.1300 HA :: 3.9130 HB2 :: 1.8700 HB3 :: 1.8700 HG2 :: 2.0070 HG3 :: 1.8230 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 :: 119.7400 Ave N Shift Values>> N :: 120.68(3.68) 1.V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 176.1700 CA :: 63.9790 CB :: 31.1900 CG1 :: 18.8100 CG2 :: 21.4400 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 :: 7.1400 HA :: 4.1120 HB :: 2.1760 HG11 :: 0.8410 HG12 :: 0.8410 HG13 :: 0.8410 HG21 :: 0.9590 HG22 :: 0.9590 HG23 :: 0.9590 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 :: 113.2700 Ave N Shift Values>> N :: 121.02(4.96) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.27 C Shift Assignments>> C :: 174.7400 CA :: 61.0600 CB :: 31.3300 CG1 :: 17.9800 CG2 :: 22.4100 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 :: 7.1500 HA :: 4.0760 HB :: 1.9950 HG11 :: 0.6310 HG12 :: 0.6310 HG13 :: 0.6310 HG21 :: 0.6610 HG22 :: 0.6610 HG23 :: 0.6610 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 :: 108.4200 Ave N Shift Values>> N :: 121.02(4.96) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.37 M 0.12 K 0.05 Q 0.02 I 0.02 C Shift Assignments>> C :: 175.0200 CA :: 55.2960 CB :: 30.4600 CG :: 36.5400 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 :: 7.0000 HA :: 3.9830 HB2 :: 2.0200 HB3 :: 1.8170 HG2 :: 2.4540 HG3 :: 2.2690 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 :: 120.7900 Ave N Shift Values>> N :: 120.68(3.68) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 L 0.15 F 0.15 Y 0.13 C 0.13 K 0.11 N 0.05 R 0.01 I 0.01 C Shift Assignments>> C :: 177.2000 CA :: 55.8410 CB :: 40.6800 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 :: 8.4700 HA :: 4.3130 HB2 :: 2.8590 HB3 :: 2.5010 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 :: 119.9200 Ave N Shift Values>> N :: 120.73(4.2) 1.H125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.46 W 0.27 C 0.26 C Shift Assignments>> C :: 175.6200 CA :: 54.1370 CB :: 29.7700 CD2 :: 119.2000 CE1 :: 135.0000 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 :: 10.0400 HA :: 5.0750 HB2 :: 2.8740 HB3 :: 3.5580 HD2 :: 7.1600 HE1 :: 8.2970 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 :: 121.2300 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.0700 CA :: 45.7800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.5400 HA2 :: 3.6790 HA3 :: 4.1400 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.7500 Ave N Shift Values>> N :: 109.91(4.29) 1.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.41 R 0.05 M 0.03 A 0.02 C Shift Assignments>> C :: 174.6300 CA :: 54.0100 CB :: 35.2000 CG :: 23.6900 CD :: 29.1800 CE :: 41.7200 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 :: 7.3500 HA :: 4.6670 HB2 :: 1.7930 HB3 :: 1.6330 HG2 :: 1.1660 HG3 :: 0.9590 HD2 :: 1.5340 HD3 :: 1.5340 HE2 :: 2.7750 HE3 :: 2.7750 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 :: 115.4300 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.2 K 0.12 C 0.1 N 0.1 F 0.07 Y 0.05 R 0.03 C Shift Assignments>> C :: 174.8100 CA :: 53.8890 CB :: 41.3300 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 :: 8.5100 HA :: 5.3230 HB2 :: 2.6010 HB3 :: 2.5020 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 :: 122.6900 Ave N Shift Values>> N :: 120.73(4.2) 1.E129 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 M 0.1 E 0.02 HN Overlap>> 1.L132 1.L132 C Shift Assignments>> C :: 173.4000 CA :: 55.2030 CB :: 35.3700 CG :: 35.3100 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 :: 9.5300 HA :: 5.4480 HB2 :: 2.0880 HB3 :: 1.9690 HG2 :: 2.2420 HG3 :: 2.2420 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.7100 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (CG > CB : 0.9917) 1.I130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 I 0.43 A 0.01 C Shift Assignments>> C :: 172.0200 CA :: 58.2270 CB :: 40.4500 CG1 :: 28.1200 CG2 :: 16.3730 CD1 :: 15.8000 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 :: 9.2600 HA :: 5.0250 HB :: 0.0370(S) HG12 :: 1.8890 HG13 :: 0.6450 HG21 :: 0.1280 HG22 :: 0.1280 HG23 :: 0.1280 HD11 :: 0.3250 HD12 :: 0.3250 HD13 :: 0.3250 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 :: 123.6100 Ave N Shift Values>> N :: 121.6(4.72) 1.T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 172.8800 CA :: 61.7070 CB :: 71.0450 CG2 :: 21.8500 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 :: 7.7900 HA :: 5.1070 HB :: 3.4690 HG21 :: 0.9010 HG22 :: 0.9010 HG23 :: 0.9010 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.2500 Ave N Shift Values>> N :: 115.7(5.05) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.18 R 0.06 G 0.06 HN Overlap>> 1.E129 1.E129 C Shift Assignments>> C :: 175.6100 CA :: 52.4560 CB :: 42.8000 CG :: 27.2300 CD1 :: 25.5600 CD2 :: 24.5300 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 :: 9.5200 HA :: 5.3670 HB2 :: 0.9120 HB3 :: 1.5330 HG :: 1.3560 HD11 :: 0.3180 HD12 :: 0.3180 HD13 :: 0.3180 HD21 :: 0.6040 HD22 :: 0.6040 HD23 :: 0.6040 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 :: 125.7100 Ave N Shift Values>> N :: 121.98(4.07) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.44 A 0.02 G 0.02 C Shift Assignments>> CA :: 58.5490 CB :: 42.1100 CG1 :: 26.8600 CG2 :: 17.8400 CD1 :: 14.4940 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 :: 9.1600 HA :: 5.6920 HB :: 1.6460 HG12 :: 0.9650 HG13 :: 1.4800 HG21 :: 0.7880 HG22 :: 0.7880 HG23 :: 0.7880 HD11 :: 0.6460 HD12 :: 0.6460 HD13 :: 0.6460 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 :: 117.6200 Ave N Shift Values>> N :: 121.6(4.72) 1.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.84 C 0.15 C Shift Assignments>> CA :: 60.0540 CB :: 70.5410 CG2 :: 21.9300 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>> HA :: 5.5900 HB :: 4.6020 HG21 :: 1.5000 HG22 :: 1.5000 HG23 :: 1.5000 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) 1.C135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D140 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N141 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S142 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.37 R 0.18 M 0.01 C Shift Assignments>> CA :: 55.6170 CB :: 35.6730 CG :: 24.9560 CD :: 29.0240 CE :: 41.9210 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 :: 7.6330 HA :: 4.4760 HB2 :: 1.4910 HB3 :: 1.4910 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 :: 118.1940 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.31 K 0.15 G 0.1 C Shift Assignments>> CA :: 55.9670 CB :: 32.6700 CD :: 43.5900 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 :: 8.7400 HA :: 4.5330 HB2 :: 1.4970 HB3 :: 1.6810 HD2 :: 3.0300 HD3 :: 2.8400 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 :: 120.1400 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.6 C 0.39 C Shift Assignments>> CA :: 58.2000 CB :: 40.3200 CD1 :: 132.4800 CE1 :: 118.6700 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>> HA :: 5.1650 HB2 :: 2.6330 HB3 :: 2.6330 HD1 :: 6.9440 HE1 :: 6.7360 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) 1.V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.6300 CA :: 60.6120 CB :: 33.7200 CG1 :: 21.5900 CG2 :: 22.5200 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 :: 8.9000 HA :: 4.9530 HB :: 1.8820 HG11 :: 0.6660 HG12 :: 0.6660 HG13 :: 0.6660 HG21 :: 0.7430 HG22 :: 0.7430 HG23 :: 0.7430 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 :: 119.1900 Ave N Shift Values>> N :: 121.02(4.96) 1.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 173.2200 CA :: 61.2520 CB :: 33.8000 CG1 :: 21.6700 CG2 :: 21.4900 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 :: 9.5300 HA :: 4.5680 HB :: 1.7820 HG11 :: 0.7350 HG12 :: 0.7350 HG13 :: 0.7350 HG21 :: 0.7920 HG22 :: 0.7920 HG23 :: 0.7920 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 :: 129.6500 Ave N Shift Values>> N :: 121.02(4.96) 1.A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.24 C 0.21 M 0.08 K 0.01 G 0.01 C Shift Assignments>> C :: 177.5400 CA :: 49.8770 CB :: 22.5800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.3700 HA :: 5.5060 HB1 :: 1.2610 HB2 :: 1.2610 HB3 :: 1.2610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.4000 Ave N Shift Values>> N :: 123.23(3.7) 1.G149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 171.5500 CA :: 46.3700 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.7000 HA2 :: 4.9980 HA3 :: 3.2780 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.2200 Ave N Shift Values>> N :: 109.91(4.29) 1.D150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.18 R 0.17 C 0.11 K 0.08 G 0.04 F 0.03 N 0.03 Y 0.02 HN Overlap>> 1.D5 1.D5 C Shift Assignments>> C :: 176.4800 CA :: 53.4220 CB :: 42.9050 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 :: 8.2500 HA :: 5.2130 HB2 :: 2.6770 HB3 :: 2.4440 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 :: 121.4500 Ave N Shift Values>> N :: 120.73(4.2) 1.L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.28 L 0.22 A 0.03 G 0.02 C Shift Assignments>> C :: 176.7000 CA :: 56.7490 CB :: 42.2900 CG :: 27.0600 CD1 :: 22.1500 CD2 :: 27.3700 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 :: 8.0200 HA :: 3.7000 HB2 :: 1.6350 HB3 :: 0.8570 HG :: 1.0980 HD11 :: 0.2230 HD12 :: 0.2230 HD13 :: 0.2230 HD21 :: 0.8390 HD22 :: 0.8390 HD23 :: 0.8390 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 :: 122.5900 Ave N Shift Values>> N :: 121.98(4.07) 1.V152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.5000 CA :: 62.4690 CB :: 33.2700 CG1 :: 20.6300 CG2 :: 21.1800 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 :: 9.6600 HA :: 4.2340 HB :: 1.8890 HG11 :: 0.6910 HG12 :: 0.6910 HG13 :: 0.6910 HG21 :: 0.8010 HG22 :: 0.8010 HG23 :: 0.8010 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 :: 126.4200 Ave N Shift Values>> N :: 121.02(4.96) 1.G153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 170.3500 CA :: 45.8600 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.4800 HA2 :: 4.1900 HA3 :: 4.0800 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.4500 Ave N Shift Values>> N :: 109.91(4.29) 1.T154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.0600 CA :: 61.0800 CB :: 71.3440 CG2 :: 21.2700 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 :: 7.9300 HA :: 4.9370 HB :: 3.7090 HG21 :: 0.8360 HG22 :: 0.8360 HG23 :: 0.8360 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 :: 114.3800 Ave N Shift Values>> N :: 115.7(5.05) 1.K155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 K 0.19 M 0.07 I 0.02 A 0.01 L 0.01 C Shift Assignments>> C :: 174.2600 CA :: 54.8220 CB :: 36.3000 CG :: 24.1400 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 :: 8.6100 HA :: 4.5260 HB2 :: 1.7700 HB3 :: 1.5900 HG2 :: 1.3600 HG3 :: 1.3600 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 :: 124.2400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 HN Overlap>> 1.D10 1.D10 C Shift Assignments>> C :: 178.2200 CA :: 52.2250 CB :: 18.8800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.3600 HA :: 4.7350 HB1 :: 1.3400 HB2 :: 1.3400 HB3 :: 1.3400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.3600 Ave N Shift Values>> N :: 123.23(3.7) 1.K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.14 C Shift Assignments>> C :: 174.8200 CA :: 56.4520 CB :: 33.0900 CE :: 41.7400 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 :: 8.3900 HA :: 4.1790 HB2 :: 1.6720 HB3 :: 1.5930 HE2 :: 2.8430 HE3 :: 2.8430 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 :: 122.9500 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 K 0.18 R 0.11 E 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 180.9900 CA :: 57.3990 CB :: 33.8700 CG :: 26.7200 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 :: 7.8500 HA :: 4.1090 HB2 :: 1.6300 HB3 :: 1.7400 HG2 :: 1.3340 HG3 :: 1.3700 HE2 :: 2.9120 HE3 :: 2.9120 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 :: 127.8800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 150 #Clerical: 0 #Suspicious: 7 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 147 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 157 #Suspicious: 1 C Shift Results: #Consistent: 592 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 951 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 1 N Shift Results: #Consistent: 146 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M64 HA = 2.6830(A), Expected = 4.39, Std = 0.4600, ChiSquare = 2.0655e-04 1.M64 HB2 = 0.3050(S), Expected = 2.03, Std = 0.3800, ChiSquare = 5.6395e-06 1.M64 HG2 = 1.2070(S), Expected = 2.44, Std = 0.3600, ChiSquare = 6.1480e-04 1.G65 H = 5.8100(S), Expected = 8.34, Std = 0.7400, ChiSquare = 6.2870e-04 1.A72 HA = 5.6460(S), Expected = 4.26, Std = 0.4200, ChiSquare = 9.6685e-04 1.G73 HA3 = 2.1620(S), Expected = 3.93, Std = 0.4000, ChiSquare = 9.8701e-06 1.A87 HB1 = 0.4550(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.1560e-04 1.A87 HB2 = 0.4550(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.1560e-04 1.A87 HB3 = 0.4550(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.1560e-04 1.N102 HB3 = 1.5100(S), Expected = 2.78, Std = 0.3400, ChiSquare = 1.8750e-04 1.E129 SRO Rule Break>> CG > CB : 0.99165623696287 1.I130 HB = 0.0370(S), Expected = 1.80, Std = 0.3100, ChiSquare = 1.2922e-08