M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.34 A 0.24 HN Overlap>> L50 C Shift Assignments>> C :: 176.5920 CA :: 55.3240 CB :: 31.9320 CG :: 32.6300 CE :: 18.8700 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 :: 8.3770 HA :: 4.4700 HB2 :: 2.5700 HB3 :: 2.5700 HG2 :: 2.1000 HG3 :: 2.1000 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 :: 119.4630 Ave N Shift Values>> N :: 120.1(3.88) S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7250 CA :: 60.3950 CB :: 63.7200 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.8200 HA :: 3.9920 HB2 :: 3.9500 HB3 :: 3.7640 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 :: 115.3700 Ave N Shift Values>> N :: 116.3(3.95) Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.15 R 0.13 H 0.12 C 0.1 W 0.1 E 0.09 L 0.07 I 0.02 M 0.01 C Shift Assignments>> C :: 177.6330 CA :: 56.4260 CB :: 28.2920 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 :: 8.4990 HB2 :: 2.1300 HB3 :: 2.1300 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 :: 122.6740 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> N135 C Shift Assignments>> CA :: 59.1160 CB :: 63.2080 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.3890 HA :: 4.3280 HB2 :: 3.9800 HB3 :: 3.8760 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 :: 116.2510 Ave N Shift Values>> N :: 116.3(3.95) N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.18 N 0.16 E 0.12 F 0.11 D 0.06 M 0.03 I 0.03 L 0.01 HN Overlap>> A131 C Shift Assignments>> C :: 177.2180 CA :: 55.5750 CB :: 37.7340 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 :: 8.5410 HA :: 4.7400 HB2 :: 3.0700 HB3 :: 2.6700 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 :: 121.2610 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.13 E 0.12 K 0.12 I 0.11 Q 0.1 H 0.09 R 0.08 M 0.01 V 0.01 L 0.01 C Shift Assignments>> C :: 177.3200 CA :: 59.0780 CB :: 28.8840 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 :: 8.0320 HA :: 4.0010 HB2 :: 1.9800 HB3 :: 1.9800 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.7190 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 K 0.13 C 0.12 E 0.12 Q 0.11 I 0.1 H 0.1 R 0.09 L 0.01 M 0.01 V 0.01 HN Overlap>> R60 C Shift Assignments>> CA :: 58.7640 CB :: 28.7840 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 :: 8.0760 HA :: 3.8500 HB2 :: 2.0300 HB3 :: 2.0700 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 :: 117.6640 Ave N Shift Values>> N :: 120.68(3.68) L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.35 R 0.01 G 0.01 C Shift Assignments>> C :: 178.4100 CA :: 58.0930 CB :: 41.9780 CG :: 26.1200 CD1 :: 24.0740 CD2 :: 24.0740 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 :: 7.8400 HA :: 3.8530 HB2 :: 1.7740 HB3 :: 1.4100 HG :: 1.4620 HD1 :: 0.1750 HD2 :: 0.1940 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.8480 Ave N Shift Values>> N :: 121.98(4.07) V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.0650 CA :: 67.5560 CB :: 32.2590 CG1 :: 22.5390 CG2 :: 23.8180 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 :: 7.5780 HA :: 3.6590 HB :: 2.3440 HG1 :: 1.1740 HG2 :: 1.0660 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 :: 117.1500 Ave N Shift Values>> N :: 121.02(4.96) V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 176.6040 CA :: 66.7890 CB :: 30.9800 CG1 :: 22.5390 CG2 :: 19.7260 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 :: 8.3850 HA :: 2.7530 HB :: 1.6710 HG1 :: 0.7180 HG2 :: -0.0800 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 :: 117.4070 Ave N Shift Values>> N :: 121.02(4.96) D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 K 0.16 L 0.15 C 0.13 F 0.12 Y 0.08 D 0.03 I 0.02 G 0.02 C Shift Assignments>> C :: 177.4740 CA :: 58.3010 CB :: 42.6940 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 :: 8.2680 HA :: 4.0400 HB2 :: 2.6900 HB3 :: 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 :: 121.0040 Ave N Shift Values>> N :: 120.73(4.2) F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.27 C 0.19 C Shift Assignments>> C :: 178.0000 CA :: 62.7030 CB :: 39.5280 CD1 :: 131.0500 CD2 :: 131.0500 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 :: 8.1650 HA :: 3.9200 HB2 :: 3.4700 HB3 :: 3.1000 HD1 :: 7.0400 HD2 :: 7.0400 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 :: 120.1050 Ave N Shift Values>> N :: 120.69(4.18) L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 L 0.32 C 0.18 R 0.1 I 0.02 G 0.01 C Shift Assignments>> C :: 179.5030 CA :: 57.5810 CB :: 42.2340 CD1 :: 24.3300 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 :: 8.8630 HA :: 4.0530 HB2 :: 1.8910 HB3 :: 1.7780 HG :: 1.5400 HD1 :: 0.8700 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 :: 116.6370 Ave N Shift Values>> N :: 121.98(4.07) S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.1 H 0.09 D 0.09 Q 0.07 C 0.07 K 0.07 R 0.07 W 0.05 E 0.04 Y 0.04 N 0.04 F 0.04 A 0.03 S 0.01 C Shift Assignments>> C :: 177.1160 CA :: 55.3900 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.5720 HA :: 4.2620 HB2 :: 3.9900 HB3 :: 3.9200 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 :: 113.8110 Ave N Shift Values>> N :: 116.3(3.95) Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.43 C Shift Assignments>> C :: 178.1540 CA :: 59.5730 CB :: 37.1840 CD1 :: 132.6700 CD2 :: 132.6700 CE1 :: 118.3800 CE2 :: 118.3800 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 :: 8.2600 HA :: 4.3200 HB2 :: 3.0300 HB3 :: 2.9800 HD1 :: 6.7000 HD2 :: 6.7000 HE1 :: 6.8400 HE2 :: 6.8400 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 :: 124.5300 Ave N Shift Values>> N :: 120.79(4.69) K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 E 0.14 W 0.14 R 0.12 C 0.12 M 0.04 K 0.03 I 0.02 L 0.01 C Shift Assignments>> C :: 180.2740 CA :: 56.6800 CB :: 29.3720 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 :: 8.1980 HA :: 3.7580 HB2 :: 1.7500 HB3 :: 1.5400 HG2 :: 1.6400 HG3 :: 1.6400 HE2 :: 3.0500 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 :: 119.7190 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.45 R 0.03 K 0.01 C Shift Assignments>> C :: 179.7600 CA :: 58.1700 CB :: 40.4200 CG :: 27.7200 CD1 :: 26.1500 CD2 :: 24.2700 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 :: 8.6990 HA :: 4.0100 HB2 :: 2.1000 HB3 :: 1.4600 HG :: 1.8200 HD1 :: 0.9700 HD2 :: 0.7600 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 :: 118.5630 Ave N Shift Values>> N :: 121.98(4.07) S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.3550 CA :: 61.4180 CB :: 62.6970 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.3900 HA :: 4.6550 HB2 :: 4.1650 HB3 :: 4.0500 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.0220 Ave N Shift Values>> N :: 116.3(3.95) Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 R 0.14 Q 0.13 C 0.11 W 0.11 H 0.1 E 0.1 I 0.06 L 0.05 M 0.01 C Shift Assignments>> C :: 177.1150 CA :: 57.8520 CB :: 28.1690 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 :: 7.6580 HA :: 4.0130 HB2 :: 2.0800 HB3 :: 2.0100 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 :: 122.5450 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.28 R 0.23 M 0.01 G 0.01 C Shift Assignments>> C :: 175.4580 CA :: 53.5530 CB :: 32.1930 CG :: 25.0810 CD :: 28.3100 CE :: 42.0600 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 :: 7.2320 HA :: 4.3800 HB2 :: 2.0070 HB3 :: 1.6500 HG2 :: 1.5300 HG3 :: 1.4500 HD2 :: 1.6200 HD3 :: 1.6200 HE2 :: 2.9600 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 :: 116.2510 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.9540 CA :: 44.7680 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.5400 HA2 :: 3.9730 HA3 :: 3.6650 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.0760 Ave N Shift Values>> N :: 109.91(4.29) Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 174.9470 CA :: 55.0230 CB :: 40.9550 CD1 :: 131.8600 CD2 :: 131.8600 CE1 :: 118.1100 CE2 :: 118.1100 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 :: 7.8400 HA :: 5.1040 HB2 :: 3.2520 HB3 :: 2.7840 HD1 :: 7.0400 HD2 :: 7.0400 HE1 :: 6.8100 HE2 :: 6.8100 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 :: 119.4630 Ave N Shift Values>> N :: 120.79(4.69) S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5800 CA :: 56.3020 CB :: 64.7430 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.6320 HA :: 4.9450 HB2 :: 3.8270 HB3 :: 3.7850 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 :: 114.3240 Ave N Shift Values>> N :: 116.3(3.95) W24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.59 C 0.39 C Shift Assignments>> C :: 176.9600 CA :: 59.9050 CB :: 30.4350 CD1 :: 126.7400 CE3 :: 119.2000 CZ2 :: 114.3000 CZ3 :: 121.1000 CH2 :: 123.0000 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.0480 HA :: 4.2840 HB2 :: 3.4500 HB3 :: 3.1600 HD1 :: 6.9700 HE3 :: 7.1800 HZ2 :: 7.2500 HZ3 :: 6.6400 HH2 :: 6.7700 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 :: 127.4270 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2550 CA :: 59.8170 CB :: 62.5880 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.2850 HA :: 3.9510 HB2 :: 4.0000 HB3 :: 3.8700 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 :: 110.7280 Ave N Shift Values>> N :: 116.3(3.95) Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.26 K 0.23 E 0.09 R 0.08 M 0.02 I 0.01 HN Overlap>> E144 C Shift Assignments>> C :: 176.2330 CA :: 56.6700 CB :: 27.8190 CG :: 34.0050 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 :: 7.4180 HA :: 3.8330 HB2 :: 1.3600 HB3 :: 1.1520 HG2 :: 1.8760 HG3 :: 1.8010 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.8200 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 C 0.34 Y 0.19 C Shift Assignments>> C :: 174.6770 CA :: 56.1330 CB :: 39.8470 CD1 :: 131.8600 CD2 :: 131.8600 CE1 :: 131.8600 CE2 :: 131.8600 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.1680 HA :: 4.5300 HB2 :: 3.0400 HB3 :: 2.0200 HD1 :: 6.9700 HD2 :: 6.9700 HE1 :: 7.0400 HE2 :: 7.0400 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.2240 Ave N Shift Values>> N :: 120.69(4.18) S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.5900 CA :: 57.0690 CB :: 63.7200 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.0680 HA :: 4.0170 HB2 :: 2.9780 HB3 :: 2.8590 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 :: 113.1680 Ave N Shift Values>> N :: 116.3(3.95) D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.18 L 0.14 C 0.11 F 0.07 Y 0.07 K 0.06 R 0.01 C Shift Assignments>> C :: 176.2180 CA :: 53.6490 CB :: 40.6460 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 :: 8.2950 HA :: 4.5780 HB2 :: 2.6550 HB3 :: 2.6290 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 :: 122.4170 Ave N Shift Values>> N :: 120.73(4.2) V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.0940 CA :: 62.1850 CB :: 33.0260 CG1 :: 21.0040 CG2 :: 21.0040 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 :: 7.9220 HA :: 4.0570 HB :: 2.0390 HG1 :: 0.8650 HG2 :: 0.8660 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 :: 118.9490 Ave N Shift Values>> N :: 121.02(4.96) E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.12 Q 0.07 M 0.06 I 0.03 C Shift Assignments>> C :: 176.4020 CA :: 55.9740 CB :: 29.5860 CG :: 36.0950 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 :: 8.4910 HA :: 4.2450 HB2 :: 2.0130 HB3 :: 1.9280 HG2 :: 2.2900 HG3 :: 2.2300 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 :: 124.4720 Ave N Shift Values>> N :: 120.68(3.68) E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.29 K 0.14 Q 0.13 M 0.08 I 0.02 C Shift Assignments>> C :: 176.0780 CA :: 56.0810 CB :: 29.7620 CG :: 35.5400 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 :: 8.4000 HA :: 4.2230 HB2 :: 2.0390 HB3 :: 1.9210 HG2 :: 2.2000 HG3 :: 2.1600 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.0300 Ave N Shift Values>> N :: 120.68(3.68) N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.17 D 0.15 Y 0.07 F 0.05 L 0.02 E 0.01 C Shift Assignments>> C :: 174.8990 CA :: 52.8240 CB :: 38.4650 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 :: 8.4780 HA :: 4.6570 HB2 :: 2.7830 HB3 :: 2.6840 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.3340 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.14 Q 0.13 C 0.12 W 0.12 E 0.12 K 0.08 M 0.08 C Shift Assignments>> C :: 176.3840 CA :: 55.5660 CB :: 30.1900 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 :: 8.1870 HA :: 4.4200 HB2 :: 1.8940 HB3 :: 1.7520 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 :: 121.3890 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.3270 CA :: 61.9290 CB :: 69.6030 CG2 :: 21.5160 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 :: 8.2570 HA :: 4.3530 HB :: 4.2480 HG2 :: 1.1560 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.7370 Ave N Shift Values>> N :: 115.7(5.05) E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.13 Q 0.09 M 0.08 I 0.02 C Shift Assignments>> C :: 175.5610 CA :: 55.7810 CB :: 29.7300 CG :: 35.8600 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 :: 8.3610 HA :: 4.3270 HB2 :: 2.0520 HB3 :: 1.8960 HG2 :: 2.2900 HG3 :: 2.2900 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.8020 Ave N Shift Values>> N :: 120.68(3.68) A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> CA :: 50.1630 CB :: 18.1910 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2680 HA :: 4.5790 HB :: 1.3060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.8850 Ave N Shift Values>> N :: 123.23(3.7) P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> CA :: 62.6100 CB :: 31.5100 CG :: 27.2400 CD :: 50.4300 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 :: 4.4200 HB2 :: 2.2410 HB3 :: 1.9000 HG2 :: 1.9930 HG3 :: 1.9930 HD2 :: 3.6300 HD3 :: 3.7300 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) E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.14 E 0.13 W 0.12 R 0.12 K 0.11 C 0.11 M 0.05 I 0.01 C Shift Assignments>> C :: 177.0530 CA :: 56.3140 CB :: 29.7000 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.5720 HA :: 4.2880 HB2 :: 1.9900 HB3 :: 1.9900 HG2 :: 2.3000 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 :: 120.7470 Ave N Shift Values>> N :: 120.68(3.68) G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 174.5340 CA :: 44.9910 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.4860 HA2 :: 4.0720 HA3 :: 4.0480 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.8290 Ave N Shift Values>> N :: 109.91(4.29) T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.5010 CA :: 61.7710 CB :: 69.6560 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 :: 8.1630 HA :: 4.3930 HB :: 4.3650 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 :: 112.7830 Ave N Shift Values>> N :: 115.7(5.05) E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 K 0.15 Q 0.09 I 0.06 M 0.02 C Shift Assignments>> C :: 177.1670 CA :: 57.0810 CB :: 28.9460 CG :: 35.8680 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 :: 8.8390 HA :: 4.3420 HB2 :: 2.0840 HB3 :: 1.9180 HG2 :: 2.2600 HG3 :: 2.2600 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.8020 Ave N Shift Values>> N :: 120.68(3.68) S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.6740 CA :: 58.4570 CB :: 63.4610 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.4560 HA :: 4.3720 HB2 :: 3.8490 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 :: 114.9670 Ave N Shift Values>> N :: 116.3(3.95) E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.15 C 0.11 W 0.11 E 0.1 R 0.09 L 0.04 M 0.03 I 0.01 HN Overlap>> Y133 C Shift Assignments>> C :: 177.8990 CA :: 55.7530 CB :: 28.8930 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 :: 8.2420 HB2 :: 2.0400 HB3 :: 2.0400 HG2 :: 2.3100 HG3 :: 2.3100 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.5450 Ave N Shift Values>> N :: 120.68(3.68) A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 C 0.02 I 0.02 C Shift Assignments>> C :: 180.5740 CA :: 54.7670 CB :: 18.1910 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.1600 HA :: 4.0880 HB :: 1.4530 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.4900 Ave N Shift Values>> N :: 123.23(3.7) V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 176.6530 CA :: 66.0220 CB :: 31.4910 CG1 :: 22.7950 CG2 :: 21.5160 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 :: 7.4770 HA :: 3.4460 HB :: 1.9130 HG1 :: 0.9830 HG2 :: 0.4160 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 :: 118.5630 Ave N Shift Values>> N :: 121.02(4.96) K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.37 R 0.13 HN Overlap>> I100 C Shift Assignments>> C :: 178.8810 CA :: 59.2090 CB :: 31.7130 CD :: 30.2000 CE :: 41.8000 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 :: 7.4150 HA :: 3.6500 HB2 :: 1.9200 HB3 :: 1.5700 HG2 :: 1.3200 HG3 :: 1.1400 HD2 :: 1.5300 HD3 :: 1.3600 HE2 :: 2.4900 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 :: 117.4070 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.24 Q 0.2 R 0.17 E 0.03 M 0.02 HN Overlap>> E52 C Shift Assignments>> C :: 177.4230 CA :: 58.2870 CB :: 27.7030 CG :: 32.9000 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 :: 8.1020 HA :: 3.7080 HB2 :: 2.0500 HB3 :: 1.9400 HG2 :: 2.3200 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 :: 115.8660 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.42 C 0.03 I 0.01 C Shift Assignments>> C :: 179.4380 CA :: 54.4840 CB :: 18.9580 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.7880 HA :: 4.3070 HB :: 1.4270 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.1050 Ave N Shift Values>> N :: 123.23(3.7) L50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.56 C 0.4 G 0.01 HN Overlap>> M1 C Shift Assignments>> C :: 179.2440 CA :: 58.3480 CB :: 41.9780 CG :: 26.6320 CD1 :: 23.0510 CD2 :: 23.0510 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 :: 8.4170 HA :: 4.1360 HB2 :: 1.4600 HB3 :: 1.3650 HG :: 1.2020 HD1 :: 0.1380 HD2 :: -0.3710(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.4630 Ave N Shift Values>> N :: 121.98(4.07) R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 C 0.15 E 0.12 I 0.12 R 0.1 H 0.07 V 0.07 Q 0.06 K 0.06 M 0.02 P 0.01 HN Overlap>> I74 C Shift Assignments>> C :: 178.3630 CA :: 60.0000 CB :: 30.0640 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 :: 8.0800 HB2 :: 1.9700 HB3 :: 1.9700 HG2 :: 1.6600 HG3 :: 1.5300 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.9210 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.13 C 0.13 K 0.12 Q 0.11 H 0.1 I 0.09 R 0.09 M 0.02 V 0.01 L 0.01 HN Overlap>> Q48 C Shift Assignments>> C :: 180.3730 CA :: 58.7640 CB :: 29.0310 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 :: 8.0260 HA :: 4.1710 HB2 :: 2.3200 HB3 :: 2.2200 HG2 :: 2.6300 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 :: 115.8660 Ave N Shift Values>> N :: 120.68(3.68) A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.37 C 0.04 I 0.02 V 0.01 C Shift Assignments>> C :: 179.6490 CA :: 55.2790 CB :: 18.9580 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.9220 HA :: 4.3700 HB :: 1.5610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.7010 Ave N Shift Values>> N :: 123.23(3.7) G54 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 :: 175.8670 CA :: 46.3600 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.0620 HA2 :: 3.8850 HA3 :: 3.8800 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.9750 Ave N Shift Values>> N :: 109.91(4.29) D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.23 F 0.21 I 0.08 E 0.06 D 0.05 N 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 176.7560 CA :: 57.1890 CB :: 38.5850 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 :: 8.4660 HA :: 4.2690 HB2 :: 2.1430 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 :: 121.7750 Ave N Shift Values>> N :: 120.73(4.2) E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.23 K 0.18 Q 0.16 I 0.07 R 0.02 M 0.01 C Shift Assignments>> C :: 177.8460 CA :: 58.3800 CB :: 28.6650 CG :: 35.0580 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 :: 8.0820 HA :: 4.2500 HB2 :: 2.3600 HB3 :: 2.3600 HG2 :: 2.6200 HG3 :: 2.4300 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 :: 120.8760 Ave N Shift Values>> N :: 120.68(3.68) F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.31 C 0.15 C Shift Assignments>> C :: 175.4620 CA :: 62.6000 CB :: 39.6000 CD1 :: 131.3200 CD2 :: 131.3200 CE1 :: 130.2400 CE2 :: 130.2400 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.0100 HA :: 3.5300 HB2 :: 3.1900 HB3 :: 2.5700 HD1 :: 6.3800 HD2 :: 6.3800 HE1 :: 7.0000 HE2 :: 7.0000 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 :: 122.8020 Ave N Shift Values>> N :: 120.69(4.18) E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.13 K 0.13 C 0.12 Q 0.12 H 0.11 R 0.09 I 0.07 M 0.02 L 0.01 V 0.01 HN Overlap>> Q143 C Shift Assignments>> C :: 177.3820 CA :: 58.4200 CB :: 29.1050 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 :: 8.4700 HA :: 3.7980 HB2 :: 2.3200 HB3 :: 2.2200 HG2 :: 2.6300 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 :: 116.5300 Ave N Shift Values>> N :: 120.68(3.68) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.34 R 0.04 HN Overlap>> L154 C Shift Assignments>> C :: 179.8530 CA :: 57.2100 CB :: 41.6480 CG :: 26.6900 CD1 :: 25.0800 CD2 :: 25.0800 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 :: 7.5890 HA :: 3.9300 HB2 :: 1.7300 HB3 :: 1.5200 HG :: 2.2200 HD1 :: 0.9370 HD2 :: 0.9370 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 :: 117.6640 Ave N Shift Values>> N :: 121.98(4.07) R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.29 R 0.2 L 0.01 HN Overlap>> E7 C Shift Assignments>> C :: 177.9390 CA :: 58.2800 CB :: 30.4530 CG :: 26.1500 CD :: 41.0000 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.9900 HA :: 3.7820 HB2 :: 1.3500 HB3 :: 0.9000 HG2 :: 1.4300 HG3 :: 1.2100 HD2 :: 2.9000 HD3 :: 2.5000 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.6600 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.25 Y 0.1 M 0.1 N 0.06 K 0.05 F 0.04 I 0.02 Q 0.01 C Shift Assignments>> C :: 175.9770 CA :: 55.8100 CB :: 36.3300 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 :: 7.8100 HA :: 4.7700 HB2 :: 3.3000 HB3 :: 2.2300 HD1 :: 6.3600 HD2 :: 6.3600 HE1 :: 6.4900 HE2 :: 6.4900 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 :: 117.9200 Ave N Shift Values>> N :: 120.79(4.69) R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 E 0.13 R 0.11 I 0.09 H 0.09 Q 0.08 K 0.08 V 0.04 M 0.03 C Shift Assignments>> CA :: 59.4100 CB :: 29.8000 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 :: 6.8370 HA :: 4.2760 HB2 :: 2.1600 HB3 :: 1.8410 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 :: 120.1000 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 W 0.13 C 0.12 E 0.11 H 0.11 R 0.07 I 0.07 L 0.04 M 0.01 C Shift Assignments>> C :: 177.8900 CA :: 57.9400 CB :: 28.4400 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 :: 8.6600 HA :: 4.7640 HB2 :: 1.8300 HB3 :: 1.6470 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.4000 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.35 C 0.01 C Shift Assignments>> C :: 177.7430 CA :: 52.8600 CB :: 17.2000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.9900 HA :: 4.2600 HB :: 0.8500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.2300 Ave N Shift Values>> N :: 123.23(3.7) F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.3 C 0.28 C Shift Assignments>> C :: 174.6290 CA :: 56.4200 CB :: 39.6400 CD1 :: 131.0700 CD2 :: 131.0700 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.7400 HA :: 4.8610 HB2 :: 3.6000 HB3 :: 2.8200 HD1 :: 7.3000 HD2 :: 7.3000 HE1 :: 7.1700 HE2 :: 7.1700 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.2200 Ave N Shift Values>> N :: 120.69(4.18) S66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.1700 HA :: 4.5700 HB2 :: 3.8400 HB3 :: 3.8400 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 :: 114.5800 Ave N Shift Values>> N :: 116.3(3.95) D67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.53 C 0.29 K 0.09 G 0.05 R 0.01 C Shift Assignments>> C :: 179.7650 CA :: 57.9800 CB :: 42.8700 CD1 :: 25.6200 CD2 :: 24.5400 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>> HA :: 3.7400 HB2 :: 1.5200 HB3 :: 1.2200 HD1 :: 0.8500 HD2 :: 0.8100 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) T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.4740 CA :: 66.4630 CB :: 67.7970 CG2 :: 21.8400 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 :: 9.3800 HA :: 3.6300 HB :: 4.0700 HG2 :: 1.1000 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 :: 112.0100 Ave N Shift Values>> N :: 115.7(5.05) S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.1220 CB :: 62.3470 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.4480 HA :: 4.3470 HB2 :: 3.9610 HB3 :: 3.9130 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 :: 115.8660 Ave N Shift Values>> N :: 116.3(3.95) Q71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.0100 HA :: 3.7900 HB2 :: 1.9800 HB3 :: 1.9800 HG2 :: 2.5900 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 :: 120.0000 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.23 A 0.21 K 0.01 C Shift Assignments>> C :: 176.2390 CA :: 53.0660 CB :: 41.4900 CD1 :: 25.6200 CD2 :: 22.1100 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 :: 7.7500 HA :: 4.2400 HD1 :: 0.5300 HD2 :: 0.4500 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 :: 111.7500 Ave N Shift Values>> N :: 121.98(4.07) H73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.22 M 0.19 Q 0.18 K 0.15 E 0.11 W 0.02 H 0.02 R 0.02 Y 0.02 V 0.01 C Shift Assignments>> C :: 175.0870 CA :: 55.8400 CB :: 34.5200 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.5140 HA :: 4.0930 HB2 :: 1.3400(S) HB3 :: 1.2500(S) 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 :: 118.9490 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 HN Overlap>> R51 C Shift Assignments>> C :: 175.4610 CA :: 60.9060 CB :: 36.8630 CG1 :: 27.2300 CG2 :: 16.9120 CD1 :: 10.5170 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 :: 7.9760 HA :: 3.8570 HB :: 1.7340 HG2 :: 0.6880 HG12 :: 1.2630 HG13 :: 1.6200 HD1 :: 0.7110 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 :: 117.9210 Ave N Shift Values>> N :: 121.6(4.72) T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> CA :: 58.8600 CB :: 70.3700 CG2 :: 21.7720 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 :: 7.3070 HA :: 4.8890 HB :: 4.4920 HG2 :: 1.1680 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.9940 Ave N Shift Values>> N :: 115.7(5.05) P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.66 P 0.33 C Shift Assignments>> CA :: 66.6000 CB :: 28.5600 CD :: 50.1600 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 :: 2.3700 HB3 :: 1.7100 HD2 :: 3.8900 HD3 :: 4.0000 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) G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 175.3020 CA :: 45.4860 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) T78 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 :: 175.5060 CA :: 61.0300 CB :: 69.7600 CG2 :: 21.3000 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 :: 7.5630 HA :: 4.8180 HB :: 4.3000 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 :: 108.1590 Ave N Shift Values>> N :: 115.7(5.05) A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.27 C 0.05 I 0.03 V 0.03 L 0.02 T 0.01 C Shift Assignments>> C :: 177.8390 CA :: 55.8890 CB :: 19.3770 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.7390 HA :: 4.0290 HB :: 1.7250 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.1140 Ave N Shift Values>> N :: 123.23(3.7) Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.43 H 0.01 C Shift Assignments>> C :: 175.6080 CA :: 60.8540 CB :: 36.3720 CD1 :: 132.1000 CD2 :: 132.1000 CE1 :: 117.5700 CE2 :: 117.5700 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 :: 8.8330 HA :: 2.8400 HB2 :: 2.4200 HB3 :: 2.3800 HD1 :: 5.6900 HD2 :: 5.6900 HE1 :: 6.4200 HE2 :: 6.4200 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 :: 117.2790 Ave N Shift Values>> N :: 120.79(4.69) Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.18 K 0.17 E 0.14 I 0.08 R 0.04 HN Overlap>> V112 C Shift Assignments>> CA :: 58.6890 CB :: 27.4250 CG :: 34.7900 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 :: 7.9830 HA :: 3.7600 HB2 :: 2.1500 HB3 :: 2.1100 HG2 :: 2.4000 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 :: 117.1500 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable F83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.11 K 0.09 Q 0.04 M 0.04 C Shift Assignments>> C :: 177.8890 CA :: 58.3400 CB :: 29.6600 CG :: 36.1600 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 :: 8.6000 HA :: 3.4700 HB2 :: 1.7000 HB3 :: 1.4780 HG2 :: 1.9200 HG3 :: 1.9200 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 :: 117.5600 Ave N Shift Values>> N :: 120.68(3.68) Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 K 0.14 Q 0.13 C 0.11 W 0.11 H 0.1 E 0.09 L 0.06 I 0.05 M 0.01 C Shift Assignments>> C :: 178.9880 CA :: 57.5500 CB :: 28.1100 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 :: 7.6800 HA :: 3.9700 HB2 :: 2.1500 HB3 :: 2.1500 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 :: 116.0200 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> F104 C Shift Assignments>> C :: 177.7420 CA :: 66.6400 CB :: 30.7200 CG1 :: 22.9200 CG2 :: 19.9500 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 :: 7.9100 HA :: 3.2300 HB :: 1.6600 HG1 :: 1.0000 HG2 :: -0.2420(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.8200 Ave N Shift Values>> N :: 121.02(4.96) V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 176.9140 CA :: 66.5330 CB :: 31.0000 CG1 :: 21.5160 CG2 :: 21.0040 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 :: 7.8660 HA :: 3.2320 HB :: 1.4380 HG1 :: 0.2510 HG2 :: 0.1580 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 :: 115.9900 Ave N Shift Values>> N :: 121.02(4.96) N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 N 0.24 E 0.14 Y 0.12 F 0.06 M 0.05 D 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 178.4620 CA :: 54.6500 CB :: 37.1700 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 :: 8.2800 HA :: 4.2800 HB2 :: 2.7700 HB3 :: 2.5400 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 :: 116.3700 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 W 0.12 H 0.12 E 0.12 C 0.11 R 0.1 I 0.04 L 0.02 M 0.02 HN Overlap>> L138 C Shift Assignments>> C :: 179.1800 CA :: 57.3400 CB :: 28.8420 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 :: 7.2400 HA :: 3.2580 HB2 :: 2.0100 HB3 :: 2.0100 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 :: 117.4000 Ave N Shift Values>> N :: 120.68(3.68) L90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.63 C 0.36 C Shift Assignments>> C :: 174.4210 CA :: 57.5000 CG :: 26.1500 CD1 :: 25.0800 CD2 :: 25.0800 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 :: 8.4560 HA :: 3.6310 HB2 :: 1.6200 HB3 :: 1.6200 HG :: 0.0250(S) HD1 :: 0.9300 HD2 :: 0.4700 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 :: 124.8500 Ave N Shift Values>> N :: 121.98(4.07) F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 C 0.32 F 0.31 C Shift Assignments>> C :: 178.1950 CA :: 55.7900 CB :: 37.6240 CD1 :: 132.0000 CD2 :: 132.0000 CE1 :: 130.0000 CE2 :: 130.0000 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 :: 6.8790 HA :: 5.0760 HB2 :: 3.2730 HB3 :: 2.4500 HD1 :: 7.3400 HD2 :: 7.3400 HE1 :: 6.7000 HE2 :: 6.7000 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 :: 107.5170 Ave N Shift Values>> N :: 120.69(4.18) R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.13 R 0.11 H 0.09 Q 0.09 K 0.09 I 0.08 V 0.03 M 0.03 C Shift Assignments>> CA :: 59.1250 CB :: 29.7410 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.2240 HB2 :: 2.2100 HB3 :: 2.2100 HG2 :: 1.4900 HG3 :: 1.4900 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 :: 121.6460 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.47 D 0.23 C 0.13 Y 0.04 F 0.04 L 0.04 C Shift Assignments>> C :: 175.6370 CA :: 52.0220 CB :: 39.3580 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.28 R 0.26 L 0.25 C 0.1 F 0.03 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 171.5160 CA :: 44.1100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.3030 HA2 :: 4.5280 HA3 :: 3.7160 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.2320 Ave N Shift Values>> N :: 109.91(4.29) V95 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.55 C 0.43 C Shift Assignments>> C :: 174.2110 CA :: 61.1620 CB :: 33.5380 CG1 :: 20.7490 CG2 :: 23.5620 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 :: 8.0220 HA :: 3.6990 HB :: -0.3210(S) HG1 :: 0.3250 HG2 :: -0.5820(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.3060 Ave N Shift Values>> N :: 121.02(4.96) SRO Rule Breaks>> (HB > HG1 : 0.9918) N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.27 C 0.13 L 0.06 F 0.04 Y 0.04 C Shift Assignments>> C :: 175.5650 CA :: 52.0260 CB :: 39.7550 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 :: 6.2430 HA :: 4.1740 HB2 :: 3.3800 HB3 :: 2.9400 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 :: 114.5810 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) W97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.4 H 0.02 HN Overlap>> S105 C Shift Assignments>> C :: 178.9760 CA :: 60.4550 CB :: 31.2800 CD1 :: 128.6300 CZ2 :: 114.9000 CH2 :: 125.1200 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 :: 8.8160 HB2 :: 3.6500 HB3 :: 3.2900 HD1 :: 7.7000 HZ2 :: 7.1600 HH2 :: 6.3100 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 :: 116.2510 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.22 L 0.03 P 0.02 A 0.02 C Shift Assignments>> CA :: 47.3700 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.8250 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 :: 105.8470 Ave N Shift Values>> N :: 109.91(4.29) R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 E 0.13 C 0.13 H 0.12 M 0.09 Q 0.09 K 0.08 V 0.02 I 0.02 C Shift Assignments>> CA :: 57.6400 CB :: 30.9100 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 :: 8.1000 HA :: 4.2010 HB2 :: 1.4200 HB3 :: 1.4200 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 :: 121.2600 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 HN Overlap>> K47 C Shift Assignments>> C :: 177.3810 CA :: 67.0450 CB :: 37.3740 CG1 :: 30.4700 CG2 :: 17.4230 CD1 :: 13.8430 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 :: 7.5200 HA :: 3.9230 HB :: 2.2450 HG2 :: 1.2700 HG12 :: 0.7740 HG13 :: 1.6740 HD1 :: 0.3180 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 :: 117.4000 Ave N Shift Values>> N :: 121.6(4.72) V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> CA :: 68.0680 CB :: 31.4910 CG1 :: 24.0740 CG2 :: 21.2600 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 :: 7.9800 HA :: 3.4560 HB :: 2.2180 HG1 :: 1.2590 HG2 :: 0.6620 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 :: 120.7400 Ave N Shift Values>> N :: 121.02(4.96) A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 M 0.44 C 0.04 L 0.01 I 0.01 V 0.01 C Shift Assignments>> CA :: 54.7700 CB :: 19.3000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.0700 HA :: 3.1100 HB :: 1.1360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.4100 Ave N Shift Values>> N :: 123.23(3.7) F103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.15 T 0.12 V 0.11 F 0.09 S 0.08 C 0.08 Y 0.08 W 0.07 E 0.03 R 0.03 K 0.02 H 0.02 Q 0.01 P 0.01 M 0.01 C Shift Assignments>> CA :: 60.4200 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 :: 8.0700 HA :: 3.9600 HD1 :: 7.0700 HD2 :: 7.0700 HE1 :: 6.6900 HE2 :: 6.6900 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 :: 118.9400 Ave N Shift Values>> N :: 120.69(4.18) F104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 Y 0.26 F 0.25 HN Overlap>> V86 C Shift Assignments>> CA :: 62.8000 CB :: 36.6800 CE1 :: 130.5000 CE2 :: 130.5000 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.9200 HA :: 3.4600 HB2 :: 2.5800 HB3 :: 1.2800(S) HD1 :: 7.1800 HD2 :: 7.1800 HE1 :: 7.1100 HE2 :: 7.1100 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 :: 118.8200 Ave N Shift Values>> N :: 120.69(4.18) S105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> W97 C Shift Assignments>> C :: 176.9140 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 :: 4.6600 HB2 :: 4.2800 HB3 :: 3.8200 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 :: 116.1500 Ave N Shift Values>> N :: 116.3(3.95) F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.38 C 0.23 C Shift Assignments>> C :: 175.8290 CA :: 60.4070 CB :: 38.7940 CD1 :: 131.8000 CD2 :: 131.8000 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.4100 HA :: 4.4800 HB2 :: 3.3800 HB3 :: 3.1000 HD1 :: 7.2100 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 :: 123.3100 Ave N Shift Values>> N :: 120.69(4.18) G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.22 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.2380 CA :: 47.3060 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.0170 HA2 :: 3.4390 HA3 :: 3.1970 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.9750 Ave N Shift Values>> N :: 109.91(4.29) G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 174.1230 CA :: 47.1080 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.1060 HA2 :: 4.2500 HA3 :: 3.7740 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.8740 Ave N Shift Values>> N :: 109.91(4.29) A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.41 C 0.03 I 0.01 C Shift Assignments>> CA :: 54.3010 CB :: 18.7020 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2150 HA :: 4.2600 HB :: 1.5220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.2150 Ave N Shift Values>> N :: 123.23(3.7) L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.36 C Shift Assignments>> C :: 179.3430 CA :: 56.9040 CB :: 41.8000 CG :: 25.3300 CD1 :: 24.5400 CD2 :: 24.0000 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 :: 8.3700 HA :: 3.7600 HB2 :: 1.4500 HB3 :: 1.2400 HG :: 0.8600 HD1 :: 0.6820 HD2 :: 0.6150 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 :: 118.5900 Ave N Shift Values>> N :: 121.98(4.07) C111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.4 C 0.05 V 0.01 HN Overlap>> E113 C Shift Assignments>> C :: 176.5000 CA :: 64.2000 CB :: 26.3010 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.2400 HA :: 3.7040 HB2 :: 3.0830 HB3 :: 2.8200 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.6920 Ave N Shift Values>> N :: 119.95(4.79) V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> Q81 C Shift Assignments>> C :: 177.8950 CA :: 66.7890 CB :: 31.4910 CG1 :: 22.5390 CG2 :: 22.5390 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 :: 7.9630 HA :: 3.3890 HB :: 2.1250 HG1 :: 1.0150 HG2 :: 1.0030 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 :: 117.1500 Ave N Shift Values>> N :: 121.02(4.96) E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.16 K 0.09 Q 0.04 M 0.02 HN Overlap>> C111 C Shift Assignments>> C :: 178.5140 CA :: 58.9340 CB :: 29.1210 CG :: 36.1300 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 :: 8.3090 HA :: 4.1200 HB2 :: 2.0200 HB3 :: 1.9700 HG2 :: 2.2600 HG3 :: 2.1600 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 :: 118.6920 Ave N Shift Values>> N :: 120.68(3.68) S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.01 C Shift Assignments>> C :: 175.5150 CA :: 63.1850 CB :: 61.6450 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.8900 HA :: 3.8200 HB2 :: 3.6360 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 :: 113.8110 Ave N Shift Values>> N :: 116.3(3.95) V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.9260 CA :: 66.2780 CB :: 31.2360 CG1 :: 22.5390 CG2 :: 21.0040 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 :: 3.1230 HB :: 1.5660 HG1 :: 0.1510 HG2 :: -0.0660 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 :: 120.3620 Ave N Shift Values>> N :: 121.02(4.96) D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 F 0.17 L 0.15 Y 0.14 C 0.13 D 0.12 R 0.04 I 0.02 N 0.02 C Shift Assignments>> C :: 177.7410 CA :: 56.8140 CB :: 41.0750 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 :: 7.9010 HA :: 4.4170 HB2 :: 2.9300 HB3 :: 2.7400 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 :: 121.0040 Ave N Shift Values>> N :: 120.73(4.2) K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 K 0.32 C 0.28 G 0.01 M 0.01 C Shift Assignments>> C :: 175.1570 CA :: 54.3180 CB :: 30.4460 CG :: 25.0810 CD :: 28.3100 CE :: 42.3300 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 :: 7.8570 HA :: 4.4620 HB2 :: 2.1700 HB3 :: 1.6300 HG2 :: 1.5300 HG3 :: 1.4500 HD2 :: 1.6100 HD3 :: 1.6100 HE2 :: 2.9300 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 :: 115.2240 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.2 K 0.09 E 0.08 L 0.01 M 0.01 C Shift Assignments>> C :: 176.0700 CA :: 57.4360 CB :: 36.9400 CG :: 25.8460 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 :: 7.7880 HA :: 4.0330 HB2 :: 2.2800 HB3 :: 2.2400 HG2 :: 2.2000 HG3 :: 2.2000 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 :: 112.9120 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.28 A 0.28 HN Overlap>> Q120 C Shift Assignments>> C :: 176.8080 CA :: 53.4860 CB :: 32.6770 CG :: 33.1700 CE :: 16.7200 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 :: 8.7450 HA :: 4.8230 HB2 :: 2.5200 HB3 :: 2.3600 HG2 :: 1.9200 HG3 :: 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 :: 118.6920 Ave N Shift Values>> N :: 120.1(3.88) Q120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.19 K 0.16 R 0.11 E 0.05 I 0.04 P 0.02 HN Overlap>> M119 C Shift Assignments>> C :: 177.1100 CA :: 59.2690 CB :: 26.9620 CG :: 33.7090 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 :: 8.8010 HA :: 3.4300 HB2 :: 1.9900 HB3 :: 1.9900 HG2 :: 2.4800 HG3 :: 2.3400 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.6920 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 175.5110 CA :: 63.3700 CB :: 31.2360 CG1 :: 19.9810 CG2 :: 19.9810 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 :: 7.8860 HA :: 4.0490 HB :: 2.1700 HG1 :: 0.9060 HG2 :: 0.8650 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 :: 118.0500 Ave N Shift Values>> N :: 121.02(4.96) L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.31 K 0.09 A 0.01 C Shift Assignments>> C :: 177.8920 CA :: 55.4070 CB :: 41.5210 CD1 :: 23.4600 CD2 :: 25.6200 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 :: 8.0320 HA :: 3.8400 HB2 :: 1.9100 HB3 :: 1.2300 HD1 :: 0.9300 HD2 :: 0.8300 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 :: 115.7370 Ave N Shift Values>> N :: 121.98(4.07) V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> CA :: 67.8120 CB :: 30.7240 CG1 :: 23.0510 CG2 :: 21.5160 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 :: 7.3710 HA :: 3.3180 HB :: 1.7510 HG1 :: 0.4160 HG2 :: 0.3980 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 :: 119.3340 Ave N Shift Values>> N :: 121.02(4.96) S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.3300 CA :: 60.4600 CB :: 62.0000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.4630 HA :: 3.8840 HB2 :: 3.7900 HB3 :: 3.7200 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 :: 109.9570 Ave N Shift Values>> N :: 116.3(3.95) R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.33 G 0.1 K 0.09 L 0.07 C Shift Assignments>> C :: 175.0870 CA :: 57.8200 CB :: 29.1200 CG :: 26.6900 CD :: 43.6800 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.5300 HA :: 3.5900 HB2 :: 1.0900 HB3 :: 1.0900 HG2 :: 1.7100 HG3 :: 1.5100 HD2 :: 3.2000 HD3 :: 2.9900 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 :: 121.3800 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 177.8970 CA :: 64.7430 CB :: 37.6300 CG2 :: 17.9350 CD1 :: 14.8660 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 :: 8.0790 HA :: 2.6530 HB :: 1.4770 HG2 :: 0.6340 HG12 :: 1.2070 HG13 :: 1.2730 HD1 :: 0.5080 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 :: 117.7930 Ave N Shift Values>> N :: 121.6(4.72) A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 179.1450 CA :: 54.4740 CB :: 18.0090 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.2700 HA :: 3.8160 HB :: 1.4490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.9210 Ave N Shift Values>> N :: 123.23(3.7) A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 180.7960 CA :: 55.0230 CB :: 17.4230 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.1570 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 :: 120.1050 Ave N Shift Values>> N :: 123.23(3.7) W129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 C 0.42 C Shift Assignments>> CA :: 57.4930 CB :: 28.4780 CD1 :: 125.1200 CZ2 :: 114.3000 CZ3 :: 120.3000 CH2 :: 123.2300 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 :: 8.9100 HA :: 4.7110 HB2 :: 2.8500 HB3 :: 2.6990 HD1 :: 7.0700 HZ2 :: 7.4000 HZ3 :: 6.4500 HH2 :: 7.0330 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 :: 121.3890 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) M130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.26 M 0.2 A 0.03 C Shift Assignments>> CA :: 57.2570 CB :: 28.7750 CE :: 16.4500 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 :: 9.0300 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 :: 117.5600 Ave N Shift Values>> N :: 120.1(3.88) A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.18 I 0.09 C 0.02 HN Overlap>> N5 C Shift Assignments>> C :: 179.1820 CA :: 56.0460 CB :: 17.4230 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.5120 HA :: 4.0360 HB :: 1.5810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.2610 Ave N Shift Values>> N :: 123.23(3.7) T132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 174.9540 CA :: 66.5310 CB :: 68.9070 CG2 :: 21.8400 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 :: 8.6560 HA :: 4.0300 HB :: 4.3800 HG2 :: 1.3950 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 :: 114.5810 Ave N Shift Values>> N :: 115.7(5.05) Y133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 HN Overlap>> E44 C Shift Assignments>> C :: 178.9850 CA :: 63.0500 CB :: 38.5850 CD1 :: 132.4000 CD2 :: 132.4000 CE1 :: 117.8400 CE2 :: 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 :: 8.1640 HA :: 4.1330 HB2 :: 3.5210 HB3 :: 3.2600 HD1 :: 6.6500 HD2 :: 6.6500 HE1 :: 5.9900 HE2 :: 5.9900 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 :: 122.5450 Ave N Shift Values>> N :: 120.79(4.69) L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.27 R 0.24 K 0.03 G 0.01 C Shift Assignments>> C :: 176.9210 CA :: 59.0510 CB :: 41.9370 CG :: 27.7800 CD1 :: 26.6900 CD2 :: 25.8900 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 :: 8.7390 HA :: 3.8520 HB2 :: 1.9800 HB3 :: 1.9100 HG :: 1.7800 HD1 :: 1.1900 HD2 :: 1.1500 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 :: 118.9490 Ave N Shift Values>> N :: 121.98(4.07) N135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.2 C 0.2 D 0.12 N 0.08 L 0.06 I 0.04 E 0.02 HN Overlap>> S4 C Shift Assignments>> C :: 176.1770 CA :: 56.4120 CB :: 39.2060 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 :: 8.3880 HA :: 4.3400 HB2 :: 2.9800 HB3 :: 2.9000 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.2510 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.17 Y 0.16 C 0.15 L 0.11 N 0.09 K 0.04 I 0.02 C Shift Assignments>> C :: 177.3680 CA :: 55.7770 CB :: 40.0460 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 :: 8.4980 HA :: 4.3470 HB2 :: 2.3900 HB3 :: 1.9400 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 :: 114.7100 Ave N Shift Values>> N :: 120.73(4.2) H137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 W 0.13 E 0.13 C 0.12 Q 0.12 M 0.09 K 0.07 I 0.01 C Shift Assignments>> C :: 175.7610 CA :: 56.0900 CB :: 30.5100 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.9100 HA :: 4.5500 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.1600 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.59 C 0.28 A 0.08 R 0.01 G 0.01 HN Overlap>> E89 C Shift Assignments>> C :: 176.8650 CA :: 55.4800 CB :: 42.1000 CG :: 26.1200 CD1 :: 24.3300 CD2 :: 22.0280 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 :: 7.1800 HA :: 4.4150 HB2 :: 2.0700 HB3 :: 1.0300 HG :: 1.1320 HD1 :: 0.1150 HD2 :: -0.3310(S) 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 :: 117.4000 Ave N Shift Values>> N :: 121.98(4.07) E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.15 R 0.14 W 0.07 P 0.06 K 0.05 Q 0.04 L 0.04 H 0.03 E 0.03 C Shift Assignments>> CA :: 60.2600 CB :: 26.6900 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 :: 8.6800 HA :: 4.2330 HB2 :: 2.2600 HB3 :: 2.2600 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 :: 121.2600 Ave N Shift Values>> N :: 120.68(3.68) P140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> C :: 179.1860 CA :: 65.8310 CB :: 29.9330 CG :: 28.3160 CD :: 49.6100 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 :: 4.1800 HB2 :: 2.2300 HB3 :: 1.6900 HG2 :: 1.8500 HG3 :: 1.8500 HD2 :: 3.1000 HD3 :: 3.5100 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) W141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.63 C 0.36 C Shift Assignments>> C :: 179.2870 CA :: 61.4530 CB :: 28.4490 CD1 :: 126.2000 CZ2 :: 114.3000 CH2 :: 122.4400 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 :: 7.0630 HA :: 3.8450 HB2 :: 3.1080 HD1 :: 7.0300 HZ2 :: 6.9500 HH2 :: 5.3000 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 :: 117.5360 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 178.9860 CA :: 66.0220 CB :: 38.1420 CG1 :: 28.8500 CG2 :: 15.8890 CD1 :: 13.5870 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 :: 8.4320 HA :: 2.8580 HB :: 1.8420 HG2 :: 0.3530 HG12 :: 0.4400 HG13 :: 1.5400 HD1 :: 0.4700 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 :: 122.5450 Ave N Shift Values>> N :: 121.6(4.72) Q143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 C 0.12 Q 0.11 K 0.11 L 0.1 W 0.09 I 0.08 H 0.08 E 0.06 HN Overlap>> E58 C Shift Assignments>> C :: 179.2440 CA :: 57.9530 CB :: 27.3750 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 :: 8.5440 HA :: 4.1220 HB2 :: 2.0800 HB3 :: 2.0800 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 :: 116.5080 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 K 0.14 H 0.13 W 0.13 E 0.13 C 0.11 R 0.1 I 0.03 M 0.03 L 0.02 HN Overlap>> Q26 C Shift Assignments>> C :: 176.6560 CA :: 57.1460 CB :: 29.0800 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 :: 7.4930 HA :: 4.1110 HB2 :: 1.8700 HB3 :: 1.8700 HG2 :: 2.1400 HG3 :: 2.1400 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 :: 118.8200 Ave N Shift Values>> N :: 120.68(3.68) N145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.17 D 0.14 Y 0.08 F 0.06 L 0.02 E 0.02 M 0.01 C Shift Assignments>> C :: 173.8050 CA :: 53.1640 CB :: 38.3800 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 :: 7.1550 HA :: 4.5400 HB2 :: 2.8340 HB3 :: 2.6100 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 :: 116.8940 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 175.8230 CA :: 45.0810 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.4800 HA2 :: 4.4830 HA3 :: 3.6920 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.9480 Ave N Shift Values>> N :: 109.91(4.29) G147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.26 G 0.22 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.3370 CA :: 43.9690 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.5440 HA2 :: 3.9300 HA3 :: 3.9300 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.5440 Ave N Shift Values>> N :: 109.91(4.29) W148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.46 C 0.3 H 0.22 C Shift Assignments>> C :: 178.6640 CA :: 60.1740 CB :: 29.7280 CD1 :: 127.0000 CE3 :: 119.8000 CZ3 :: 121.3400 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 :: 8.7400 HA :: 4.4100 HB2 :: 3.4900 HB3 :: 3.1100 HD1 :: 7.4300 HE3 :: 7.2400 HZ3 :: 6.6500 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 :: 118.1780 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) D149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.17 D 0.1 L 0.08 I 0.06 K 0.04 N 0.02 C Shift Assignments>> C :: 179.3980 CA :: 57.2460 CB :: 39.9790 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 :: 8.8860 HA :: 4.4280 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.5360 Ave N Shift Values>> N :: 120.73(4.2) T150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.1000 CA :: 66.0220 CB :: 68.0680 CG2 :: 22.0280 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 :: 7.6090 HA :: 3.9410 HB :: 4.4020 HG2 :: 1.3990 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 :: 116.5080 Ave N Shift Values>> N :: 115.7(5.05) F151 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.39 F 0.35 C 0.24 C Shift Assignments>> C :: 176.3660 CA :: 61.1060 CB :: 37.4670 CD1 :: 131.9000 CD2 :: 131.9000 CZ :: 128.9000 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 :: 6.6370 HA :: 4.3230 HB2 :: 3.1300 HB3 :: 1.3200(S) HD1 :: 6.8500 HD2 :: 6.8500 HE1 :: 6.7700 HE2 :: 6.7700 HZ :: 6.8600 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 :: 122.1600 Ave N Shift Values>> N :: 120.69(4.18) V152 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 :: 178.4150 CA :: 66.5330 CB :: 31.7470 CG1 :: 24.0740 CG2 :: 21.5160 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 :: 7.8630 HA :: 3.0290 HB :: 2.1770 HG1 :: 1.1140 HG2 :: 0.8580 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 :: 117.4070 Ave N Shift Values>> N :: 121.02(4.96) E153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.13 K 0.13 C 0.12 Q 0.11 H 0.1 R 0.09 I 0.08 M 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 178.0530 CA :: 58.6020 CB :: 29.0410 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 :: 7.5320 HA :: 3.8740 HB2 :: 2.2000 HB3 :: 2.0900 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 :: 119.4630 Ave N Shift Values>> N :: 120.68(3.68) L154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.27 G 0.09 K 0.02 A 0.01 HN Overlap>> L59 C Shift Assignments>> C :: 178.1600 CA :: 56.8140 CB :: 43.2570 CD1 :: 25.3530 CD2 :: 23.0510 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 :: 7.6400 HA :: 3.9040 HB2 :: 1.3210 HB3 :: 0.7510 HD1 :: 0.7760 HD2 :: 0.7260 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.6640 Ave N Shift Values>> N :: 121.98(4.07) Y155 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 176.7000 CA :: 58.7910 CB :: 38.5610 CD1 :: 132.9400 CD2 :: 132.9400 CE1 :: 117.3000 CE2 :: 117.3000 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 :: 8.0280 HA :: 3.9900 HB2 :: 2.4800 HB3 :: 1.5600(S) HD1 :: 6.3000 HD2 :: 6.3000 HE1 :: 6.5300 HE2 :: 6.5300 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 :: 114.1960 Ave N Shift Values>> N :: 120.79(4.69) G156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.16 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.9010 CA :: 44.7570 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.8560 HA2 :: 4.0500 HA3 :: 3.7500 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.8740 Ave N Shift Values>> N :: 109.91(4.29) N157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.19 D 0.11 Y 0.08 F 0.05 E 0.03 L 0.01 M 0.01 C Shift Assignments>> C :: 175.5200 CA :: 53.2300 CB :: 38.0500 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 :: 8.5900 HA :: 4.5950 HB2 :: 2.8300 HB3 :: 2.6900 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 :: 117.9200 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.17 D 0.15 Y 0.08 F 0.06 L 0.02 E 0.02 C Shift Assignments>> C :: 175.5630 CA :: 53.3700 CB :: 38.4500 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 :: 8.5400 HA :: 4.5920 HB2 :: 2.8300 HB3 :: 2.6900 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 :: 118.5600 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.32 C 0.02 C Shift Assignments>> C :: 178.7220 CA :: 53.4700 CB :: 18.4500 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.0300 HA :: 4.1170 HB :: 1.3960 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.9300 Ave N Shift Values>> N :: 123.23(3.7) A160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.33 C 0.02 C Shift Assignments>> C :: 178.4650 CA :: 53.4700 CB :: 18.2100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.3000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.2600 Ave N Shift Values>> N :: 123.23(3.7) A161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.29 C 0.02 C Shift Assignments>> C :: 179.1300 CA :: 53.2370 CB :: 18.4590 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.9300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.9000 Ave N Shift Values>> N :: 123.23(3.7) E162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 K 0.14 W 0.13 E 0.13 H 0.13 C 0.11 R 0.1 I 0.03 M 0.03 L 0.01 C Shift Assignments>> CA :: 57.3120 CB :: 29.1310 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 :: 8.2630 HA :: 4.1640 HB2 :: 2.0200 HB3 :: 2.0200 HG2 :: 2.3000 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 :: 118.3060 Ave N Shift Values>> N :: 120.68(3.68) S163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.4150 CA :: 59.0200 CB :: 63.3290 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.0940 HA :: 4.5090 HB2 :: 3.9520 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 :: 114.9670 Ave N Shift Values>> N :: 116.3(3.95) R164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 Q 0.14 E 0.13 W 0.13 R 0.12 K 0.11 C 0.11 M 0.05 I 0.01 C Shift Assignments>> C :: 176.9650 CA :: 56.3910 CB :: 29.7380 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.8940 HA :: 4.1950 HB2 :: 1.4100 HB3 :: 1.4100 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 :: 121.6460 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.16 C 0.16 K 0.15 R 0.12 W 0.11 H 0.1 E 0.09 Q 0.05 V 0.03 C Shift Assignments>> C :: 177.7370 CA :: 56.8950 CB :: 32.0730 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 :: 8.1010 HA :: 4.2300 HB2 :: 1.8200 HB3 :: 1.8200 HG2 :: 1.5200 HG3 :: 1.5200 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 :: 120.6190 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G166 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.6250 CA :: 45.1600 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.3750 HA2 :: 3.9710 HA3 :: 2.3670(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.8010 Ave N Shift Values>> N :: 109.91(4.29) Q167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.14 C 0.11 W 0.1 R 0.1 E 0.1 L 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 176.3970 CA :: 55.6970 CB :: 28.7770 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 :: 8.0610 HA :: 5.1260 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 :: 119.4630 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 H 0.14 E 0.13 W 0.13 K 0.12 R 0.11 C 0.11 M 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 176.7100 CA :: 56.7000 CB :: 29.5300 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 :: 8.4600 HA :: 4.2400 HB2 :: 2.0510 HB3 :: 2.0500 HG2 :: 2.3000 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 :: 121.3800 Ave N Shift Values>> N :: 120.68(3.68) R169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.14 R 0.13 W 0.12 E 0.12 C 0.12 K 0.1 M 0.06 I 0.01 C Shift Assignments>> C :: 176.1780 CA :: 55.7100 CB :: 29.9300 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 :: 8.2100 HA :: 4.7430 HB2 :: 1.7800 HB3 :: 1.7800 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 :: 120.7400 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.27 R 0.05 A 0.02 G 0.01 C Shift Assignments>> C :: 177.3140 CA :: 55.0230 CB :: 42.2340 CG :: 26.8870 CD1 :: 24.8410 CD2 :: 23.3060 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 :: 8.1200 HA :: 4.2600 HB2 :: 1.5630 HB3 :: 1.4730 HG :: 1.5760 HD1 :: 0.8560 HD2 :: 0.8020 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 :: 122.6700 Ave N Shift Values>> N :: 121.98(4.07) E171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.14 R 0.12 C 0.12 K 0.11 W 0.11 E 0.1 M 0.06 L 0.01 C Shift Assignments>> CA :: 55.1200 CB :: 29.6600 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 :: 8.3000 HA :: 4.2620 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 :: 120.4900 Ave N Shift Values>> N :: 120.68(3.68) N1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable W3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Y8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable F19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable F23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 186 #Clerical: 0 #Suspicious: 10 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 165 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 31 Shift Relative Order (SRO) Results: #Consistent: 195 #Suspicious: 1 C Shift Results: #Consistent: 632 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 811 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 162 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: L50 HD2 = -0.3710(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.3614e-05 H73 HB2 = 1.3400(S), Expected = 3.12, Std = 0.4300, ChiSquare = 3.4801e-05 H73 HB3 = 1.2500(S), Expected = 3.11, Std = 0.4500, ChiSquare = 3.5754e-05 V86 HG2 = -0.2420(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.1855e-04 L90 HG = 0.0250(S), Expected = 1.54, Std = 0.3300, ChiSquare = 4.4132e-06 V95 HB = -0.3210(S), Expected = 1.99, Std = 0.3300, ChiSquare = 2.5048e-12 V95 HG2 = -0.5820(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.1218e-06 V95 SRO Rule Break>> HB > HG1 : 0.991770514930637 F104 HB3 = 1.2800(S), Expected = 2.97, Std = 0.3800, ChiSquare = 8.6929e-06 L138 HD2 = -0.3310(S), Expected = 0.76, Std = 0.2800, ChiSquare = 9.7622e-05 F151 HB3 = 1.3200(S), Expected = 2.97, Std = 0.3800, ChiSquare = 1.4112e-05 Y155 HB3 = 1.5600(S), Expected = 2.91, Std = 0.3700, ChiSquare = 2.6362e-04 G166 HA3 = 2.3670(S), Expected = 3.93, Std = 0.4000, ChiSquare = 9.3256e-05