A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.84 M 0.1 G 0.05 C Shift Assignments>> CA :: 49.2160 CB :: 17.1290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.4200 HB :: 1.5200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.2 Y 0.05 F 0.04 L 0.03 C Shift Assignments>> CA :: 51.5310 CB :: 38.8110 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 :: 8.8470 HA :: 4.6100 HB2 :: 2.8100 HB3 :: 2.7600 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.3730 Ave N Shift Values>> N :: 120.73(4.2) L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.35 C Shift Assignments>> CA :: 56.300 CB :: 39.0990 CG :: 25.7800 CD1 :: 23.0600 CD2 :: 20.5400 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 :: 8.6840 HA :: 3.8900 HB2 :: 1.7800 HB3 :: 1.5000 HG :: 1.3700 HD1 :: 1.0400 HD2 :: 0.6900 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 :: 123.5320 Ave N Shift Values>> N :: 121.98(4.07) E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 R 0.29 Q 0.22 M 0.03 E 0.01 C Shift Assignments>> CA :: 56.8070 CB :: 26.2360 CG :: 32.8800 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 :: 8.6230 HA :: 4.3800 HB2 :: 2.1750 HB3 :: 2.1760 HG2 :: 2.5200 HG3 :: 2.4800 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.9050 Ave N Shift Values>> N :: 120.68(3.68) D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 Y 0.19 D 0.16 F 0.14 E 0.06 L 0.04 I 0.02 M 0.01 C Shift Assignments>> CA :: 54.7800 CB :: 38.3770 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.6050 HA :: 4.5040 HB2 :: 2.8200 HB3 :: 2.7000 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 :: 118.7740 Ave N Shift Values>> N :: 120.73(4.2) N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 N 0.25 M 0.14 Y 0.13 F 0.06 K 0.05 D 0.02 Q 0.01 I 0.01 C Shift Assignments>> CA :: 54.6300 CB :: 36.4980 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 :: 7.8650 HA :: 4.5300 HB2 :: 2.5400 HB3 :: 2.2400 HD21 :: 7.1770 HD22 :: 7.0250 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 :: 118.7510 ND2 :: 113.1950 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) W7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 K 0.15 Q 0.14 W 0.12 H 0.1 E 0.1 I 0.1 L 0.07 M 0.01 C Shift Assignments>> CA :: 58.1890 CB :: 27.9730 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 :: 8.7180 HA :: 4.7800 HB2 :: 3.4500 HB3 :: 3.3700 HD1 :: 7.2900 HE1 :: 10.6350 HE3 :: 7.6250 HZ2 :: 7.6200 HZ3 :: 7.2930 HH2 :: 6.8800 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.6220 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 Q 0.28 R 0.11 E 0.08 I 0.05 M 0.03 C Shift Assignments>> CA :: 57.4570 CB :: 26.1630 CG :: 34.3900 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 :: 8.0150 HA :: 4.2100 HB2 :: 2.2900 HB3 :: 2.1000 HG2 :: 2.5900 HG3 :: 2.5100 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 :: 118.9800 Ave N Shift Values>> N :: 120.68(3.68) T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 S 0.18 HN Overlap>> L30 C Shift Assignments>> CA :: 64.540 CB :: 65.9130 CG2 :: 18.9800 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 :: 8.5740 HA :: 4.0400 HB :: 4.2600 HG2 :: 1.1300 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.7170 Ave N Shift Values>> N :: 115.7(5.05) L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 A 0.06 V 0.01 C Shift Assignments>> CA :: 57.3170 CB :: 39.1010 CG :: 25.5800 CD1 :: 23.0600 CD2 :: 22.4600 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 :: 8.3840 HA :: 4.0600 HB2 :: 2.4200 HB3 :: 1.4300 HG :: 1.9400 HD1 :: 0.9200 HD2 :: 1.0200 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 :: 122.7940 Ave N Shift Values>> N :: 121.98(4.07) N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 E 0.22 Y 0.15 M 0.1 F 0.07 D 0.04 K 0.03 I 0.01 HN Overlap>> T31 C Shift Assignments>> CA :: 54.5660 CB :: 36.8610 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 :: 8.3130 HA :: 4.5000 HB2 :: 2.9200 HB3 :: 2.8170 HD21 :: 7.4640 HD22 :: 6.7220 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 :: 116.3510 ND2 :: 111.9760 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 Y 0.22 F 0.14 E 0.13 D 0.1 M 0.03 I 0.03 L 0.02 K 0.01 C Shift Assignments>> CA :: 55.1450 CB :: 37.7990 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 :: 9.4140 HA :: 4.4200 HB2 :: 2.8000 HB3 :: 2.6800 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.5630 Ave N Shift Values>> N :: 120.73(4.2) N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 N 0.23 F 0.18 D 0.13 E 0.09 L 0.03 I 0.03 M 0.02 HN Overlap>> L48 C Shift Assignments>> CA :: 55.5040 CB :: 38.3050 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 :: 7.8170 HA :: 4.5300 HB2 :: 2.8300 HB3 :: 2.7000 HD21 :: 7.6630 HD22 :: 7.2080 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 :: 116.6930 ND2 :: 113.2070 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 A 0.19 C Shift Assignments>> CA :: 56.2290 CB :: 39.1010 CG :: 25.3300 CD1 :: 23.0600 CD2 :: 22.2500 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 :: 7.8170 HA :: 4.0800 HB2 :: 2.0800 HB3 :: 1.3370 HG :: 1.8900 HD1 :: 0.8200 HD2 :: 0.7800 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 :: 122.1220 Ave N Shift Values>> N :: 121.98(4.07) K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 L 0.3 R 0.25 M 0.05 A 0.05 C Shift Assignments>> CA :: 56.9510 CB :: 29.5660 CG :: 23.0600 CD :: 27.3400 CE :: 39.9300 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 :: 7.2420 HA :: 4.0900 HB2 :: 1.9500 HG2 :: 1.6500 HG3 :: 1.6400 HD2 :: 1.7200 HE2 :: 2.9800 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 :: 118.3331590 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 V 0.47 C Shift Assignments>> CA :: 63.8170 CB :: 29.4880 CG1 :: 18.8300 CG2 :: 18.2500 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 :: 7.2270 HA :: 3.5500 HB :: 2.3800 HG1 :: 1.0800 HG2 :: 0.9100 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 :: 118.5740 Ave N Shift Values>> N :: 121.02(4.96) I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.0340 CB :: 36.0650 CG1 :: 27.9100 CG2 :: 15.2100 CD1 :: 13.4000 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 :: 7.8770 HA :: 3.3950 HB :: 2.0210 HG2 :: 0.8900 HG12 :: 1.5400 HG13 :: 1.5400 HD1 :: 0.8400 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.6010 Ave N Shift Values>> N :: 121.6(4.72) E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 R 0.3 Q 0.28 M 0.03 E 0.03 C Shift Assignments>> CA :: 56.8070 CB :: 27.3210 CG :: 32.7800 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 :: 7.8600 HA :: 3.9420 HB2 :: 2.0600 HB3 :: 2.0600 HG2 :: 2.3700 HG3 :: 2.3000 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 :: 117.7210 Ave N Shift Values>> N :: 120.68(3.68) K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 R 0.25 K 0.22 M 0.06 L 0.01 C Shift Assignments>> CA :: 52.9760 CB :: 30.9330 CG :: 22.6100 CD :: 27.1400 CE :: 40.4800 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 :: 7.1340 HA :: 4.4230 HB2 :: 1.9600 HB3 :: 1.7600 HG2 :: 1.5100 HD2 :: 1.6400 HE2 :: 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 :: 114.2410 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.12 C Shift Assignments>> CA :: 51.0970 CB :: 18.9360 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.2550 HA :: 4.1300 HB :: 1.4600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.1700 Ave N Shift Values>> N :: 123.23(3.7) D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.37 L 0.11 F 0.04 Y 0.03 K 0.02 C Shift Assignments>> CA :: 51.2470 CB :: 40.6180 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 :: 8.7460 HA :: 4.8100 HB2 :: 2.8500 HB3 :: 2.6500 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.3560 Ave N Shift Values>> N :: 120.73(4.2) N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.22 Y 0.03 F 0.03 L 0.03 C Shift Assignments>> CA :: 49.9410 CB :: 39.2450 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 :: 7.6220 HA :: 4.9400 HB2 :: 2.9600 HB3 :: 2.9080 HD21 :: 7.6790 HD22 :: 6.8710 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 :: 112.8950 ND2 :: 114.880 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.49 C Shift Assignments>> CA :: 53.1210 CB :: 16.4730 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.0160 HA :: 3.7700 HB :: 1.5100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.7810 Ave N Shift Values>> N :: 123.23(3.7) A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.75 A 0.23 I 0.01 C Shift Assignments>> CA :: 53.5530 CB :: 15.2530 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4240 HA :: 4.0100 HB :: 1.4700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 K 0.35 Q 0.11 M 0.05 C Shift Assignments>> CA :: 56.2290 CB :: 27.4650 CG :: 31.6700 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 :: 8.0190 HA :: 4.0980 HB2 :: 1.900 HG2 :: 2.3840 HG3 :: 2.3200 HE21 :: 7.3670 HE22 :: 7.0460 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 :: 117.0710 NE2 :: 111.0110 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 I 0.12 C Shift Assignments>> CA :: 64.5470 CB :: 29.5640 CG1 :: 19.4400 CG2 :: 18.8300 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 :: 7.1080 HA :: 3.4730 HB :: 2.1200 HG1 :: 1.0500 HG2 :: 0.8600 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.7120 Ave N Shift Values>> N :: 121.02(4.96) K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 R 0.28 M 0.2 L 0.04 A 0.02 C Shift Assignments>> CA :: 58.1890 CB :: 30.2110 CG :: 22.6120 CD :: 28.0500 CE :: 39.9300 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 :: 8.7350 HA :: 3.7100 HB2 :: 1.7600 HB3 :: 1.7500 HG2 :: 1.4800 HD2 :: 1.6510 HE2 :: 2.9000 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 :: 119.3640 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 Y 0.22 D 0.2 F 0.19 L 0.06 E 0.03 I 0.03 HN Overlap>> A91 C Shift Assignments>> CA :: 55.3610 CB :: 38.9510 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 :: 8.2390 HA :: 4.3200 HB2 :: 2.7400 HB3 :: 2.5800 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.6320 Ave N Shift Values>> N :: 120.73(4.2) A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.34 C Shift Assignments>> CA :: 52.7580 CB :: 17.2740 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.5860 HA :: 4.1700 HB :: 1.5300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.3600 Ave N Shift Values>> N :: 123.23(3.7) L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 A 0.06 HN Overlap>> T9 C Shift Assignments>> CA :: 55.6510 CB :: 40.4020 CG :: 25.0200 CD1 :: 23.0600 CD2 :: 24.4200 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 :: 8.5140 HA :: 4.0600 HB2 :: 2.0600 HB3 :: 1.3100 HG :: 1.8700 HD1 :: 0.9240 HD2 :: 0.7000 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 :: 117.7700 Ave N Shift Values>> N :: 121.98(4.07) T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 S 0.02 HN Overlap>> N11 C Shift Assignments>> CA :: 65.4850 CB :: 66.9970 CG2 :: 18.0820 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 :: 8.3330 HA :: 3.7610 HB :: 4.4720 HG2 :: 1.2700 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 :: 116.3500 Ave N Shift Values>> N :: 115.7(5.05) K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.27 M 0.09 L 0.02 A 0.01 C Shift Assignments>> CA :: 57.4570 CB :: 30.3530 CG :: 23.2500 CD :: 28.0700 CE :: 40.2830 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 :: 7.7360 HA :: 4.0500 HB2 :: 1.7200 HB3 :: 1.7200 HG2 :: 1.4600 HG3 :: 1.4000 HD2 :: 1.6300 HE2 :: 2.9800 HZ :: 6.9500 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 :: 122.9820 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 K 0.23 R 0.1 Q 0.07 E 0.01 C Shift Assignments>> CA :: 57.6740 CB :: 31.1520 CG :: 31.2200 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 :: 8.3630 HA :: 3.7300 HB2 :: 2.0000 HB3 :: 1.9300 HG2 :: 2.3800 HE :: 2.3600 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 :: 118.5280 Ave N Shift Values>> N :: 120.1(3.88) R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 L 0.41 R 0.16 HN Overlap>> I98 C Shift Assignments>> CA :: 58.1800 CB :: 28.250 CG :: 27.3400 CD :: 40.287500 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 :: 8.5560 HA :: 3.6000 HB2 :: 2.0100 HG2 :: 1.9200 HD2 :: 3.2400 HD3 :: 2.7800 HE :: 7.7900 HH11 :: 6.7430 HH12 :: 6.7430 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 :: 120.7130 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.49 C Shift Assignments>> CA :: 52.6150 CB :: 16.0450 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.2010 HA :: 4.0400 HB :: 1.4400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.2800 Ave N Shift Values>> N :: 123.23(3.7) A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.49 C Shift Assignments>> CA :: 52.3980 CB :: 15.9010 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.6450 HA :: 4.0600 HB :: 1.5000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.5460 Ave N Shift Values>> N :: 123.23(3.7) A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.39 HN Overlap>> K59 C Shift Assignments>> CA :: 52.3260 CB :: 16.4790 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4830 HA :: 3.7400 HB :: 1.4400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.1190 Ave N Shift Values>> N :: 123.23(3.7) L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 L 0.01 C Shift Assignments>> CA :: 55.0110 CB :: 39.4620 CG :: 24.8700 CD1 :: 20.3400 CD2 :: 20.3500 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 :: 7.6610 HA :: 3.8700 HB2 :: 1.7700 HB3 :: 1.3600 HG :: 1.5500 HD1 :: 0.8800 HD2 :: 0.86000 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 :: 115.6610 Ave N Shift Values>> N :: 121.98(4.07) D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.24 Y 0.18 F 0.16 L 0.09 I 0.01 E 0.01 K 0.01 C Shift Assignments>> CA :: 54.9280 CB :: 39.3840 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.6350 HA :: 4.2500 HB2 :: 2.5700 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 :: 119.5310 Ave N Shift Values>> N :: 120.73(4.2) A40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.6 A 0.38 C Shift Assignments>> CA :: 52.5420 CB :: 15.4630 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.1480 HA :: 3.5700 HB :: 0.4300(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.7320 Ave N Shift Values>> N :: 123.23(3.7) Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 K 0.3 Q 0.19 M 0.03 E 0.01 C Shift Assignments>> CA :: 55.5060 CB :: 26.9580 CG :: 32.2000 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 :: 6.8420 HA :: 3.2800 HB2 :: 2.0500 HB3 :: 1.7100 HG2 :: 2.3500 HG3 :: 2.2100 HE21 :: 7.5150 HE22 :: 6.8680 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 :: 112.3460 NE2 :: 111.9820 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 R 0.3 A 0.17 M 0.08 L 0.01 C Shift Assignments>> CA :: 53.9880 CB :: 30.8620 CG :: 22.8600 CD :: 27.7900 CE :: 40.6800 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.9930 HA :: 4.2500 HB2 :: 1.9700 HB3 :: 1.8200 HG2 :: 1.4700 HD2 :: 1.7000 HE2 :: 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 :: 114.0780 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 G 0.01 C Shift Assignments>> CA :: 49.4350 CB :: 19.3720 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.7150 HA :: 4.3800 HB :: 1.5100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.1120 Ave N Shift Values>> N :: 123.23(3.7) T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 S 0.14 T 0.06 C Shift Assignments>> CA :: 57.2410 CB :: 68.0810 CG2 :: 17.6220 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 :: 8.1800 HA :: 4.4230 HB :: 3.9400 HG2 :: 1.1200 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 :: 114.3940 Ave N Shift Values>> N :: 115.7(5.05) P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.94 G 0.05 C Shift Assignments>> CA :: 63.3900 CB :: 29.8730 CG :: 27.2900 CD :: 48.5800 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 :: 4.3400 HB2 :: 2.2600 HB3 :: 1.9800 HG2 :: 2.0800 HG3 :: 2.0800 HD2 :: 3.8700 HD3 :: 3.8600 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) P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.92 G 0.07 C Shift Assignments>> CA :: 63.2390 CB :: 29.9940 CG :: 27.2900 CD :: 48.4400 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 :: 4.2300 HB2 :: 2.2700 HB3 :: 1.9800 HG2 :: 2.2000 HG3 :: 2.1900 HD2 :: 3.9800 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) K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 R 0.34 L 0.09 M 0.03 A 0.03 C Shift Assignments>> CA :: 55.7230 CB :: 29.9940 CG :: 23.5200 CD :: 27.5900 CE :: 40.5900 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 :: 8.2160 HA :: 4.2650 HB2 :: 1.9600 HG2 :: 1.5300 HD2 :: 1.7000 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 :: 113.5930 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 L 0.17 HN Overlap>> N13 C Shift Assignments>> CA :: 51.3140 CB :: 40.1120 CG :: 25.7800 CD1 :: 21.2500 CD2 :: 23.0600 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 :: 7.7080 HA :: 4.5900 HB2 :: 1.6400 HB3 :: 1.4500 HG :: 1.4300 HD1 :: 0.8800 HD2 :: 0.6900 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.6680 Ave N Shift Values>> N :: 121.98(4.07) E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.36 K 0.31 Q 0.25 M 0.03 E 0.02 C Shift Assignments>> CA :: 56.5900 CB :: 27.0320 CG :: 32.5800 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>> HA :: 4.0900 HB2 :: 2.1500 HB3 :: 2.1500 HG2 :: 2.3900 HG3 :: 2.3900 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) D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 D 0.11 Y 0.05 F 0.03 M 0.01 E 0.01 L 0.01 C Shift Assignments>> CA :: 51.3130 CB :: 37.9440 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 :: 4.6500 HB2 :: 2.7600 HB3 :: 2.7600 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.0090 Ave N Shift Values>> N :: 120.73(4.2) K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 R 0.22 K 0.21 M 0.07 L 0.02 C Shift Assignments>> CA :: 51.8290 CB :: 30.490 CG :: 22.6100 CD :: 28.0500 CE :: 40.7300 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 :: 7.7660 HA :: 4.4900 HB2 :: 1.9100 HB3 :: 1.8800 HG2 :: 1.4100 HG3 :: 1.3000 HD2 :: 1.6400 HD3 :: 1.6400 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 :: 119.7940 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 54.6390 CB :: 60.9260 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.7170 HA :: 4.7200 HB2 :: 4.1700 HB3 :: 3.9800 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 :: 116.9650 Ave N Shift Values>> N :: 116.3(3.95) P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> CA :: 63.3110 CB :: 29.7060 CG :: 26.6900 CD :: 49.0400 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 :: 4.3300 HB2 :: 2.4000 HB3 :: 1.9800 HG2 :: 2.0800 HD2 :: 3.9400 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) D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.18 Y 0.04 F 0.03 L 0.02 C Shift Assignments>> CA :: 50.7360 CB :: 38.7320 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.9770 HA :: 4.8300 HB2 :: 2.8300 HB3 :: 2.6400 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 :: 113.6740 Ave N Shift Values>> N :: 120.73(4.2) S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 54.7840 CB :: 60.8540 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.7690 HA :: 4.5400 HB2 :: 4.2900 HB3 :: 4.2900 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 :: 116.2580 Ave N Shift Values>> N :: 116.3(3.95) P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.8880 CB :: 30.0670 CG :: 26.6900 CD :: 49.6500 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 :: 4.3400 HB2 :: 2.4000 HB3 :: 1.9800 HG2 :: 2.0800 HG3 :: 2.0800 HD2 :: 3.9400 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) E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 K 0.36 Q 0.16 M 0.04 P 0.01 E 0.01 C Shift Assignments>> CA :: 58.6140 CB :: 27.7570 CG :: 32.1200 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>> HA :: 4.1100 HB2 :: 2.3300 HB3 :: 1.9000 HG2 :: 2.5900 HG3 :: 2.3800 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 :: 116.8240 Ave N Shift Values>> N :: 120.68(3.68) M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.27 M 0.06 C Shift Assignments>> CA :: 54.1330 CB :: 28.0430 CG :: 30.1100 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 :: 7.6770 HA :: 4.5900 HB2 :: 2.2300 HB3 :: 2.0800 HG2 :: 2.7800 HG3 :: 2.2700 HE :: 2.1700 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.0710 Ave N Shift Values>> N :: 120.1(3.88) K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 R 0.25 L 0.11 M 0.09 A 0.01 HN Overlap>> A37 C Shift Assignments>> CA :: 58.1800 CB :: 29.9940 CG :: 23.2500 CD :: 27.5900 CE :: 39.8300 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 :: 8.4630 HA :: 4.0100 HB2 :: 1.9300 HB3 :: 1.9370 HG2 :: 1.4400 HD2 :: 1.6000 HD3 :: 1.5900 HE2 :: 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 :: 120.1190 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 Y 0.22 D 0.2 F 0.19 L 0.06 E 0.03 I 0.03 C Shift Assignments>> CA :: 55.3610 CB :: 38.9560 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 :: 8.3570 HA :: 4.6050 HB2 :: 3.0200 HB3 :: 2.9200 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.8380 Ave N Shift Values>> N :: 120.73(4.2) F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 Y 0.22 I 0.2 F 0.11 M 0.05 K 0.03 V 0.02 C Shift Assignments>> CA :: 59.1230 CB :: 36.6430 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 :: 8.2600 HA :: 4.0900 HB2 :: 3.2400 HB3 :: 2.7000 HD1 :: 6.6390 HD2 :: 6.6390 HE1 :: 7.3170 HE2 :: 7.3170 HZ :: 6.3850 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.6820 Ave N Shift Values>> N :: 120.69(4.18) R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 L 0.35 R 0.1 C Shift Assignments>> CA :: 59.1230 CB :: 28.2410 CG :: 26.6900 CD :: 40.2800 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 :: 8.4780 HA :: 3.8000 HB2 :: 1.7700 HB3 :: 1.7700 HG2 :: 1.6700 HG3 :: 1.6700 HD2 :: 2.9400 HD3 :: 2.9400 HE :: 7.5170 HH11 :: 6.5700 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.6460 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.25 R 0.21 Q 0.08 H 0.05 W 0.03 I 0.03 E 0.01 M 0.01 HN Overlap>> V69 C Shift Assignments>> CA :: 56.0120 CB :: 25.8020 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.6960 HA :: 4.6000 HB2 :: 3.5600 HB3 :: 3.4530 HD2 :: 7.3880 HE1 :: 7.7370 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 :: 119.0360 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.26 R 0.23 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.3040 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.1920 HA2 :: 3.2100 HA3 :: 3.0300 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.0330 Ave N Shift Values>> N :: 109.91(4.29) F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 Y 0.22 E 0.17 F 0.13 V 0.03 M 0.01 K 0.01 C Shift Assignments>> CA :: 60.4930 CB :: 36.9320 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 :: 6.9670 HA :: 4.1000 HB2 :: 2.8500 HB3 :: 2.6300 HD1 :: 6.7010 HD2 :: 6.7010 HE1 :: 6.3790 HE2 :: 6.3790 HZ :: 6.4990 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.7490 Ave N Shift Values>> N :: 120.69(4.18) D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 N 0.18 E 0.18 F 0.16 D 0.07 I 0.04 M 0.04 L 0.02 K 0.01 C Shift Assignments>> CA :: 55.7940 CB :: 37.7260 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.5100 HA :: 4.4200 HB2 :: 2.7900 HB3 :: 2.6800 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 :: 121.5800 Ave N Shift Values>> N :: 120.73(4.2) I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.5760 CB :: 34.6920 CG1 :: 24.8700 CG2 :: 14.0000 CD1 :: 13.4000 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 :: 7.6250 HA :: 3.6300 HB :: 1.8800 HG2 :: 0.8200 HG12 :: 1.1700 HG13 :: 0.9300 HD1 :: 0.7010 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 :: 120.6640 Ave N Shift Values>> N :: 121.6(4.72) L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 A 0.05 HN Overlap>> T97 A100 C Shift Assignments>> CA :: 55.7950 CB :: 40.3290 CG :: 25.0700 CD1 :: 23.5000 CD2 :: 23.0600 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 :: 7.7170 HA :: 4.1400 HB2 :: 1.7900 HB3 :: 1.5500 HG :: 1.6200 HD1 :: 0.8800 HD2 :: 0.8600 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 :: 120.3610 Ave N Shift Values>> N :: 121.98(4.07) V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 I 0.03 HN Overlap>> H63 C Shift Assignments>> CA :: 65.6930 CB :: 29.1270 CG1 :: 20.6500 CG2 :: 18.8300 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 :: 8.7080 HA :: 3.4400 HB :: 2.1800 HG1 :: 1.0400 HG2 :: 0.9000 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 :: 119.0360 Ave N Shift Values>> N :: 121.02(4.96) G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> CA :: 45.3880 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.7780 HA2 :: 3.8800 HA3 :: 3.8700 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.9420 Ave N Shift Values>> N :: 109.91(4.29) Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.3 Q 0.14 M 0.03 C Shift Assignments>> CA :: 56.7350 CB :: 26.8820 CG :: 31.8700 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.9130 HA :: 4.2100 HB2 :: 1.9800 HG2 :: 2.3400 HG3 :: 2.3200 HE21 :: 7.2190 HE22 :: 6.1260 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 :: 120.6690 NE2 :: 107.1410 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.0340 CB :: 35.7760 CG2 :: 12.7900 CD1 :: 11.5800 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 :: 8.8800 HA :: 3.5200 HB :: 2.0700 HG2 :: 0.8000 HG12 :: 0.9500 HD1 :: 0.7100 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 :: 123.8890 Ave N Shift Values>> N :: 121.6(4.72) D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 Y 0.21 N 0.17 F 0.12 M 0.07 D 0.04 I 0.03 K 0.03 C Shift Assignments>> CA :: 55.6540 CB :: 37.1400 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 :: 8.9600 HA :: 4.5800 HB2 :: 3.0400 HB3 :: 2.9300 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 :: 121.8940 Ave N Shift Values>> N :: 120.73(4.2) D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 Y 0.23 F 0.16 E 0.12 D 0.11 I 0.03 M 0.03 L 0.02 C Shift Assignments>> CA :: 55.3610 CB :: 38.0160 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 :: 8.0950 HA :: 4.4700 HB2 :: 2.8440 HB3 :: 2.7100 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 :: 122.0980 Ave N Shift Values>> N :: 120.73(4.2) A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.4 C Shift Assignments>> CA :: 52.9080 CB :: 15.7620 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.8170 HA :: 4.0400 HB :: 1.5600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.4450 Ave N Shift Values>> N :: 123.23(3.7) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.04 C Shift Assignments>> CA :: 55.7230 CB :: 40.1100 CG :: 25.7800 CD1 :: 23.5200 CD2 :: 23.0620 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 :: 9.1750 HA :: 3.8300 HB2 :: 1.990 HB3 :: 1.6000 HG :: 1.6300 HD1 :: 0.9400 HD2 :: 0.9200 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 :: 121.3460 Ave N Shift Values>> N :: 121.98(4.07) K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 M 0.23 R 0.18 A 0.01 L 0.01 C Shift Assignments>> CA :: 57.8910 CB :: 29.9940 CG :: 23.0600 CD :: 29.4100 CE :: 40.2800 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 :: 7.8130 HA :: 4.0700 HB2 :: 1.9900 HG2 :: 1.5840 HD2 :: 1.7200 HD3 :: 1.7200 HE2 :: 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 :: 120.1110 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 L 0.23 C Shift Assignments>> CA :: 55.5060 CB :: 39.3800 CG :: 25.3300 CD1 :: 21.3500 CD2 :: 21.3400 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.9760 HA :: 4.1400 HB2 :: 1.7900 HB3 :: 1.5100 HG :: 1.6100 HD1 :: 0.9100 HD2 :: 0.8700 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.7910 Ave N Shift Values>> N :: 121.98(4.07) A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 A 0.23 I 0.01 C Shift Assignments>> CA :: 53.6270 CB :: 15.3230 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.3470 HA :: 3.6600 HB :: 1.3300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.5340 Ave N Shift Values>> N :: 123.23(3.7) N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 E 0.18 M 0.15 Y 0.09 K 0.05 F 0.04 D 0.02 Q 0.02 C Shift Assignments>> CA :: 53.4840 CB :: 36.2810 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 :: 8.9490 HA :: 4.4300 HB2 :: 2.8300 HB3 :: 2.6000 HD21 :: 7.3530 HD22 :: 6.8650 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 :: 118.1350 ND2 :: 110.9910 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 K 0.34 Q 0.17 M 0.06 HN Overlap>> Q93 C Shift Assignments>> CA :: 53.6900 CB :: 27.6090 CG :: 32.1200 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 :: 7.5010 HA :: 4.4200 HB2 :: 2.1800 HB3 :: 2.1300 HG2 :: 2.3700 HG3 :: 2.3700 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 :: 117.2700 Ave N Shift Values>> N :: 120.68(3.68) G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 G 0.07 K 0.05 D 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.2920 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.8760 HA2 :: 4.2800 HA3 :: 3.5500 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.9870 Ave N Shift Values>> N :: 109.91(4.29) K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 A 0.29 R 0.11 K 0.04 C Shift Assignments>> CA :: 52.6870 CB :: 28.2590 CG :: 22.8100 CD :: 27.5900 CE :: 40.6300 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.9350 HA :: 4.5100 HB2 :: 2.0800 HB3 :: 2.0600 HG2 :: 1.4100 HG3 :: 1.2900 HD2 :: 1.6400 HE2 :: 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 :: 123.6230 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 V 0.26 C Shift Assignments>> CA :: 65.4800 CB :: 29.5510 CG1 :: 18.8300 CG2 :: 17.6200 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 :: 7.6030 HA :: 3.2400 HB :: 2.0200 HG1 :: 0.8400 HG2 :: 0.7500 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.9290 Ave N Shift Values>> N :: 121.02(4.96) K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 R 0.31 K 0.17 A 0.06 M 0.03 C Shift Assignments>> CA :: 57.0240 CB :: 29.0540 CG :: 22.6100 CD :: 27.3900 CE :: 40.2800 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 :: 8.5520 HA :: 4.3700 HB2 :: 1.8700 HB3 :: 1.8700 HG2 :: 1.5100 HD2 :: 1.7400 HE2 :: 3.0400 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 :: 119.6430 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.27 E 0.12 I 0.11 R 0.1 M 0.02 C Shift Assignments>> CA :: 58.3210 CB :: 26.3840 CG :: 34.5900 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 :: 9.3770 HA :: 4.0500 HB2 :: 2.1200 HB3 :: 2.0200 HG2 :: 2.5400 HG3 :: 2.3300 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 :: 121.3480 Ave N Shift Values>> N :: 120.68(3.68) A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.37 C Shift Assignments>> CA :: 53.1930 CB :: 15.8290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4580 HA :: 4.0500 HB :: 1.4300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.1170 Ave N Shift Values>> N :: 123.23(3.7) Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 R 0.29 Q 0.26 M 0.02 E 0.02 I 0.01 C Shift Assignments>> CA :: 57.3820 CB :: 26.4520 CG :: 33.0200 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 :: 8.6560 HA :: 3.7800 HB2 :: 2.1100 HB3 :: 1.9600 HG2 :: 2.5200 HG3 :: 2.1900 HE21 :: 7.9850 HE22 :: 6.0980 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 :: 116.6250 NE2 :: 113.4230 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.35 C Shift Assignments>> CA :: 52.6150 CB :: 15.3230 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.1590 HA :: 4.2200 HB :: 1.5600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.2910 Ave N Shift Values>> N :: 123.23(3.7) A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.31 C Shift Assignments>> CA :: 52.5400 CB :: 15.1050 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.0590 HA :: 4.2100 HB :: 1.5300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.9240 Ave N Shift Values>> N :: 123.23(3.7) A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.45 HN Overlap>> D28 C Shift Assignments>> CA :: 52.1090 CB :: 15.5390 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.3230 HA :: 4.0100 HB :: 1.5500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.7060 Ave N Shift Values>> N :: 123.23(3.7) E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 R 0.29 Q 0.29 E 0.02 M 0.02 C Shift Assignments>> CA :: 56.8790 CB :: 26.5970 CG :: 33.0300 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 :: 7.7160 HA :: 4.0980 HB2 :: 2.1700 HG2 :: 2.3700 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 :: 117.5750 Ave N Shift Values>> N :: 120.68(3.68) Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 K 0.4 Q 0.07 M 0.04 HN Overlap>> E81 C Shift Assignments>> CA :: 56.0120 CB :: 26.1630 CG :: 31.6700 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 :: 7.3960 HA :: 4.2400 HB2 :: 2.2500 HB3 :: 1.9800 HG2 :: 2.4500 HE21 :: 7.6810 HE22 :: 6.4630 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 :: 117.2520 NE2 :: 111.7760 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 L 0.27 C Shift Assignments>> CA :: 55.4300 CB :: 39.3890 CG :: 25.3300 CD1 :: 21.4500 CD2 :: 21.4500 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 :: 7.6970 HA :: 4.0700 HB2 :: 2.0700 HB3 :: 1.5900 HG :: 1.9100 HD1 :: 0.9400 HD2 :: 0.9100 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 :: 118.5710 Ave N Shift Values>> N :: 121.98(4.07) K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 R 0.25 M 0.22 L 0.03 A 0.03 C Shift Assignments>> CA :: 58.1090 CB :: 30.4280 CG :: 22.6100 CD :: 27.8900 CE :: 39.8300 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 :: 7.9690 HA :: 3.7700 HB2 :: 1.9500 HB3 :: 1.9200 HG2 :: 1.4800 HG3 :: 1.3900 HD2 :: 1.7600 HE2 :: 2.9200 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 :: 118.1530 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.87 S 0.12 C Shift Assignments>> CA :: 63.9620 CB :: 66.2010 CG2 :: 19.4400 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 :: 7.5730 HA :: 3.8800 HB :: 4.2800 HG2 :: 0.9700 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) T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 S 0.45 HN Overlap>> L68 A100 C Shift Assignments>> CA :: 64.1060 CB :: 65.6980 CG2 :: 18.6500 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 :: 7.7170 HA :: 3.8700 HB :: 4.2700 HG2 :: 1.5500 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.3610 Ave N Shift Values>> N :: 115.7(5.05) I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> R34 C Shift Assignments>> CA :: 64.2540 CB :: 36.1370 CG1 :: 28.5000 CG2 :: 14.000 CD1 :: 13.4030 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 :: 8.4880 HA :: 3.5100 HB :: 1.8700 HG2 :: 1.0200 HG12 :: 1.4200 HD1 :: 0.8600 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 :: 120.6690 Ave N Shift Values>> N :: 121.6(4.72) R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 K 0.46 R 0.04 C Shift Assignments>> CA :: 57.0630 CB :: 27.3990 CG :: 24.8700 CD :: 41.3900 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 :: 8.2610 HA :: 3.9400 HB2 :: 1.8780 HB3 :: 1.8400 HG2 :: 1.7200 HG3 :: 1.6000 HD2 :: 3.1400 HD3 :: 3.1200 HE :: 7.154 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 :: 118.0460 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.43 HN Overlap>> L68 T97 C Shift Assignments>> CA :: 52.7640 CB :: 15.8460 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.7850 HA :: 4.0400 HB :: 1.4900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.4080 Ave N Shift Values>> N :: 123.23(3.7) Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 Y 0.11 M 0.11 K 0.1 I 0.09 V 0.06 Q 0.06 F 0.04 W 0.01 C Shift Assignments>> CA :: 58.8330 CB :: 35.5660 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 :: 8.2300 HA :: 4.3400 HB2 :: 3.3500 HB3 :: 3.1600 HD1 :: 7.0690 HD2 :: 7.0690 HE1 :: 6.6150 HE2 :: 6.6150 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 :: 117.3530 Ave N Shift Values>> N :: 120.79(4.69) N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 E 0.19 Y 0.15 M 0.08 F 0.08 D 0.05 K 0.03 I 0.01 C Shift Assignments>> CA :: 54.3660 CB :: 36.9770 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 :: 8.6720 HA :: 3.4600 HB2 :: 2.3100 HB3 :: 1.6900 HD21 :: 7.3220 HD22 :: 6.7220 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 :: 120.3820 ND2 :: 111.0690 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 K 0.41 Q 0.06 M 0.04 C Shift Assignments>> CA :: 56.2200 CB :: 26.1250 CG :: 31.6700 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 :: 8.0540 HA :: 3.9200 HB2 :: 2.0700 HG2 :: 2.4100 HG3 :: 2.2900 HE21 :: 7.5150 HE22 :: 6.8680 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 :: 117.7920 NE2 :: 111.9820 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 K 0.3 R 0.19 A 0.15 C Shift Assignments>> CA :: 56.8190 CB :: 31.6040 CG :: 22.1500 CD :: 27.5900 CE :: 39.8300 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 :: 7.4440 HA :: 3.8900 HB2 :: 1.4900 HB3 :: 1.1400 HG2 :: 1.0030 HG3 :: 0.4900 HD2 :: 1.3900 HD3 :: 1.3700 HE2 :: 2.7800 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 :: 117.9750 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 E 0.2 F 0.19 N 0.1 I 0.07 D 0.05 M 0.03 L 0.01 K 0.01 C Shift Assignments>> CA :: 56.5570 CB :: 37.7550 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 :: 8.1030 HA :: 4.8400 HB2 :: 3.4600 HB3 :: 3.1100 HD1 :: 7.6130 HD2 :: 7.6130 HE1 :: 6.9970 HE2 :: 6.9970 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 :: 113.4990 Ave N Shift Values>> N :: 120.79(4.69) G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.3 G 0.09 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.4060 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.7940 HA2 :: 3.9700 HA3 :: 3.8000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.9800 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 105 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 106 #Suspicious: 0 C Shift Results: #Consistent: 331 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 590 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: A40 HB = 0.4300(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.4470e-04