M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.54 I 0.34 A 0.1 C Shift Assignments>> CE :: 16.2430 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>> HE :: 2.1180 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) K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.2 C 0.18 H 0.14 R 0.12 K 0.11 W 0.09 Q 0.06 E 0.06 C Shift Assignments>> CA :: 53.7900 CB :: 31.6600 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>> HA :: 4.7250 HB2 :: 1.8530 HB3 :: 1.9980 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) P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> CA :: 64.2640 CB :: 31.4170 CG :: 27.0050 CD :: 50.1310 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 :: 4.3230 HB2 :: 1.9780 HB3 :: 2.3760 HG2 :: 2.0580 HG3 :: 2.1950 HD2 :: 3.8530 HD3 :: 3.9460 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) A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.51 M 0.44 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.0960 CB :: 17.8380 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.5430 HB :: 1.5000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.61 M 0.35 C 0.01 C Shift Assignments>> CA :: 53.3860 CB :: 17.8180 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.3240 HB :: 1.5540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) R6 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 R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.56 A 0.32 I 0.04 C 0.04 V 0.01 C Shift Assignments>> CA :: 55.5610 CB :: 18.6960 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.0140 HB :: 2.0180 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.38 R 0.36 K 0.09 G 0.08 I 0.07 C Shift Assignments>> CA :: 60.4870 CB :: 30.2310 CD :: 43.1140 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>> HA :: 3.9470 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) E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.25 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> CA :: 59.4990 CB :: 29.4970 CG :: 36.7730 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 :: 8.4930 HA :: 3.9080 HB2 :: 2.1650 HB3 :: 2.6140 HG2 :: 2.3830 HG3 :: 2.7130 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 :: 117.1130 Ave N Shift Values>> N :: 120.68(3.68) C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 I 0.4 C 0.06 W 0.01 R 0.01 HN Overlap>> R135 C Shift Assignments>> CA :: 63.3970 CB :: 26.5060 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.3890 HA :: 4.1290 HB2 :: 2.1720 HB3 :: 2.7980 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 :: 115.3570 Ave N Shift Values>> N :: 119.95(4.79) A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.26 I 0.05 C 0.02 C Shift Assignments>> CA :: 55.4150 CB :: 17.4140 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.7210 HA :: 3.9990 HB :: 1.4120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.2480 Ave N Shift Values>> N :: 123.23(3.7) V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> V40 C Shift Assignments>> CA :: 67.0430 CB :: 30.5920 CG1 :: 25.1990 CG2 :: 20.3670 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 :: 8.3790 HA :: 3.3180 HB :: 1.8890 HG1 :: 1.0270 HG2 :: 0.4980 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 :: 117.7710 Ave N Shift Values>> N :: 121.02(4.96) Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.21 K 0.2 E 0.18 I 0.04 M 0.03 R 0.03 C Shift Assignments>> CA :: 58.8630 CB :: 29.1060 CG :: 34.3980 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.9760 HA :: 3.8470 HB2 :: 2.2780 HB3 :: 2.2780 HG2 :: 2.1700 HG3 :: 2.3270 HE21 :: 7.0170 HE22 :: 6.8080 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 :: 115.3310 NE2 :: 109.6470 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.2560 CB :: 17.9900 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.5110 HA :: 3.9790 HB :: 1.0430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.4250 Ave N Shift Values>> N :: 123.23(3.7) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 R 0.01 C Shift Assignments>> CA :: 57.2550 CB :: 40.6740 CG :: 26.6680 CD1 :: 25.2870 CD2 :: 22.8320 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.0100 HA :: 4.2740 HB2 :: 1.5140 HB3 :: 2.0160 HG :: 1.7520 HD1 :: 0.7530 HD2 :: 0.7530 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 :: 117.2390 Ave N Shift Values>> N :: 121.98(4.07) Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> CA :: 61.4350 CB :: 37.7410 CD1 :: 132.3070 CD2 :: 132.3070 CE1 :: 117.6760 CE2 :: 117.6760 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 :: 8.5410 HA :: 4.1160 HB2 :: 2.9930 HB3 :: 3.3460 HD1 :: 6.9630 HD2 :: 6.9630 HE1 :: 6.8370 HE2 :: 6.8370 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 :: 119.6590 Ave N Shift Values>> N :: 120.79(4.69) S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.4350 CB :: 62.9020 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.6490 HA :: 4.1530 HB2 :: 4.2250 HB3 :: 4.2250 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.3020 Ave N Shift Values>> N :: 116.3(3.95) W20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.6 C 0.38 H 0.01 C Shift Assignments>> CA :: 60.2620 CB :: 28.1160 CD1 :: 127.0890 CE3 :: 119.6720 CZ2 :: 114.1090 CZ3 :: 119.5370 CH2 :: 123.6440 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 :: 8.8390 HA :: 4.4140 HB2 :: 3.2450 HB3 :: 3.6960 HD1 :: 7.3270 HE1 :: 10.0310 HE3 :: 7.6070 HZ2 :: 7.6040 HZ3 :: 6.8720 HH2 :: 7.3530 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 :: 122.4540 NE1 :: 130.2530 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.24 I 0.14 K 0.12 Q 0.07 R 0.01 HN Overlap>> E81 C Shift Assignments>> CA :: 58.0880 CB :: 27.6300 CG :: 35.8860 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 :: 9.0640 HA :: 3.3600 HB2 :: 2.1200 HB3 :: 2.2730 HG2 :: 2.2560 HG3 :: 2.7350 HE21 :: 7.4530 HE22 :: 6.5940 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 :: 118.5770 NE2 :: 109.4360 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.32 R 0.02 A 0.02 G 0.01 C Shift Assignments>> CA :: 56.1570 CB :: 41.9210 CG :: 26.7210 CD1 :: 24.2540 CD2 :: 22.6820 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 :: 7.3710 HA :: 4.1140 HB2 :: 1.4950 HB3 :: 1.6650 HG :: 1.4790 HD1 :: 0.5930 HD2 :: 0.7390 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 :: 116.2190 Ave N Shift Values>> N :: 121.98(4.07) S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.2450 CB :: 64.1270 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.1460 HA :: 4.3720 HB2 :: 3.9080 HB3 :: 3.9080 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 :: 113.1870 Ave N Shift Values>> N :: 116.3(3.95) Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.26 Q 0.2 R 0.1 E 0.03 M 0.02 C Shift Assignments>> CA :: 55.8810 CB :: 26.2410 CG :: 33.8770 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 :: 8.5590 HA :: 3.6840 HB2 :: 2.0400 HB3 :: 2.0400 HG2 :: 2.0440 HG3 :: 2.0440 HE21 :: 7.0610 HE22 :: 5.9160 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 :: 115.8910 NE2 :: 111.2450 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.16 D 0.14 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> CA :: 51.9960 CB :: 38.4840 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 :: 7.9690 HA :: 4.8190 HB2 :: 2.8630 HB3 :: 2.8630 HD21 :: 7.4550 HD22 :: 6.8400 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 :: 116.2590 ND2 :: 109.0600 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.22 K 0.15 C 0.1 F 0.07 N 0.06 R 0.06 Y 0.05 HN Overlap>> Q79 C Shift Assignments>> CA :: 54.2150 CB :: 41.6530 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 :: 8.5650 HA :: 4.7290 HB2 :: 2.7330 HB3 :: 2.8600 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.3930 Ave N Shift Values>> N :: 120.73(4.2) I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> CA :: 60.7050 CB :: 37.5210 CG1 :: 26.8210 CG2 :: 17.4720 CD1 :: 11.8360 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 :: 8.8030 HA :: 3.7510 HB :: 0.9850 HG2 :: 0.6260 HG12 :: 0.6130 HG13 :: 0.9320 HD1 :: -0.1370 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 :: 126.2510 Ave N Shift Values>> N :: 121.6(4.72) A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.44 I 0.02 C 0.02 C Shift Assignments>> CA :: 54.4000 CB :: 17.6020 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.5660 HA :: 4.1920 HB :: 1.3750 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.6640 Ave N Shift Values>> N :: 123.23(3.7) D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.2 C 0.17 D 0.14 L 0.1 N 0.05 K 0.04 I 0.04 C Shift Assignments>> CA :: 56.6190 CB :: 39.9810 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 :: 7.4310 HA :: 4.6660 HB2 :: 2.8390 HB3 :: 2.9410 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 :: 117.2730 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 0.94 C 0.05 C Shift Assignments>> CA :: 65.7990 CB :: 31.2920 CG1 :: 21.8580 CG2 :: 20.8010 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 :: 7.6150 HA :: 3.8550 HB :: 2.2080 HG1 :: 1.2060 HG2 :: 1.0820 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 :: 120.3260 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>> C 0.33 E 0.32 I 0.23 K 0.05 M 0.02 Q 0.02 C Shift Assignments>> CA :: 60.0490 CB :: 29.8720 CG :: 36.3080 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 :: 8.4740 HA :: 3.6870 HB2 :: 2.0720 HB3 :: 2.0720 HG2 :: 2.0650 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 :: 118.9650 Ave N Shift Values>> N :: 120.68(3.68) Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> CA :: 61.1370 CB :: 37.9150 CD1 :: 131.2960 CD2 :: 131.2960 CE1 :: 116.8420 CE2 :: 116.8420 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 :: 7.8410 HA :: 4.1610 HB2 :: 2.5410 HB3 :: 3.0630 HD1 :: 6.9320 HD2 :: 6.9320 HE1 :: 6.5810 HE2 :: 6.5810 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 :: 115.8900 Ave N Shift Values>> N :: 120.79(4.69) Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.24 Q 0.22 R 0.16 E 0.04 M 0.02 I 0.01 HN Overlap>> A130 C Shift Assignments>> CA :: 58.0880 CB :: 27.6250 CG :: 33.1380 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 :: 8.2310 HA :: 3.9590 HB2 :: 2.2570 HB3 :: 2.2570 HG2 :: 2.4110 HG3 :: 2.5450 HE21 :: 7.6570 HE22 :: 6.7590 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 :: 116.7070 NE2 :: 110.3440 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.23 Y 0.22 HN Overlap>> L73 C Shift Assignments>> CA :: 61.4500 CB :: 39.2410 CD1 :: 131.3190 CD2 :: 131.3190 CE1 :: 131.3020 CE2 :: 131.3020 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 :: 8.4430 HA :: 4.1070 HB2 :: 3.1760 HB3 :: 3.2670 HD1 :: 7.0990 HD2 :: 7.0990 HE1 :: 6.9260 HE2 :: 6.9260 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 :: 118.3400 Ave N Shift Values>> N :: 120.69(4.18) L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 A 0.03 R 0.01 C Shift Assignments>> CA :: 56.1230 CB :: 40.8440 CG :: 26.6750 CD1 :: 25.2360 CD2 :: 22.4240 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 :: 8.1130 HA :: 4.0550 HB2 :: 1.4660 HB3 :: 1.8700 HG :: 2.0190 HD1 :: 0.9580 HD2 :: 0.8290 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 :: 114.6180 Ave N Shift Values>> N :: 121.98(4.07) A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.34 C 0.02 HN Overlap>> A103 C Shift Assignments>> CA :: 53.4220 CB :: 17.9600 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.6920 HA :: 4.1600 HB :: 1.2910 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.9010 Ave N Shift Values>> N :: 123.23(3.7) E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 M 0.18 Q 0.06 K 0.05 I 0.02 C Shift Assignments>> CA :: 56.1510 CB :: 30.9940 CG :: 35.8750 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 :: 7.5180 HA :: 4.3640 HB2 :: 1.9030 HB3 :: 2.0220 HG2 :: 2.1950 HG3 :: 2.3570 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 :: 113.4270 Ave N Shift Values>> N :: 120.68(3.68) Q38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.28 C 0.26 R 0.2 Q 0.13 M 0.09 C Shift Assignments>> CA :: 53.9400 CB :: 28.5870 CG :: 32.0540 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 :: 7.6380 HA :: 4.2600 HB2 :: 1.4020 HB3 :: 1.6610 HG2 :: 1.2960(S) HG3 :: 1.9660 HE21 :: 7.2300 HE22 :: 6.5800 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 :: 116.4260 NE2 :: 111.3990 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.24 C 0.12 L 0.11 F 0.07 Y 0.07 K 0.03 C Shift Assignments>> CA :: 53.5100 CB :: 40.2150 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 :: 8.3810 HA :: 4.6180 HB2 :: 2.5840 HB3 :: 2.8140 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.6410 Ave N Shift Values>> N :: 120.73(4.2) V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 HN Overlap>> V14 K112 C Shift Assignments>> CA :: 60.2630 CB :: 30.7050 CG1 :: 20.5010 CG2 :: 20.5010 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 :: 8.2760 HA :: 4.4750 HB :: 2.3400 HG1 :: 0.8840 HG2 :: 0.7900 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 :: 117.7460 Ave N Shift Values>> N :: 121.02(4.96) K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.38 R 0.19 M 0.02 C Shift Assignments>> CA :: 58.5810 CB :: 31.4600 CG :: 23.9120 CD :: 28.5710 CE :: 41.3710 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 :: 8.0970 HA :: 4.1610 HB2 :: 1.8740 HB3 :: 1.8930 HG2 :: 1.4650 HG3 :: 1.4650 HD2 :: 1.7440 HD3 :: 1.7440 HE2 :: 3.0410 HE3 :: 3.0410 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.4290 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.4840 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.1780 Ave N Shift Values>> N :: 120.73(4.2) V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.38 I 0.35 A 0.23 V 0.01 C Shift Assignments>> CG2 :: 17.7370 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>> HG2 :: 0.8970 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) D44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V45 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 :: 66.2850 CB :: 31.4840 CG1 :: 22.3250 CG2 :: 21.0680 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 :: 8.0640 HA :: 3.6510 HB :: 2.1810 HG1 :: 1.1010 HG2 :: 1.1010 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 :: 127.4320 Ave N Shift Values>> N :: 121.02(4.96) L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.47 C Shift Assignments>> CA :: 58.0960 CB :: 40.2250 CG :: 26.6620 CD1 :: 23.7250 CD2 :: 23.7250 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 :: 8.0920 HA :: 4.1560 HB2 :: 1.8050 HB3 :: 1.8050 HG :: 1.7550 HD1 :: 0.9720 HD2 :: 0.9720 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 :: 119.2080 Ave N Shift Values>> N :: 121.98(4.07) Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.34 C Shift Assignments>> CA :: 61.0900 CB :: 38.0900 CD1 :: 132.8910 CD2 :: 132.8910 CE1 :: 117.8550 CE2 :: 117.8550 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 :: 7.9000 HA :: 4.1710 HB2 :: 3.1910 HB3 :: 3.3250 HD1 :: 7.1690 HD2 :: 7.1690 HE1 :: 6.8270 HE2 :: 6.8270 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 :: 119.8010 Ave N Shift Values>> N :: 120.79(4.69) F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> CA :: 60.6480 CB :: 38.2010 CD1 :: 131.3440 CD2 :: 131.3440 CE1 :: 130.6900 CE2 :: 130.6900 CZ :: 130.4980 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 :: 8.2150 HA :: 3.9740 HB2 :: 3.0790 HB3 :: 3.4700 HD1 :: 7.1960 HD2 :: 7.1960 HE1 :: 7.2510 HE2 :: 7.2510 HZ :: 7.0350 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.5830 Ave N Shift Values>> N :: 120.69(4.18) R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.12 K 0.04 L 0.01 C Shift Assignments>> CA :: 59.7040 CB :: 29.5440 CG :: 27.7780 CD :: 43.5740 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 :: 8.3260 HA :: 3.3190 HB2 :: 1.8940 HB3 :: 1.8940 HG2 :: 1.5540 HG3 :: 1.5540 HD2 :: 3.1720 HD3 :: 3.1720 HE :: 7.6370 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.1540 NE :: 84.4740 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.29 I 0.2 K 0.1 Q 0.04 C Shift Assignments>> CA :: 58.9080 CB :: 28.3690 CG :: 36.1670 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 :: 8.0530 HA :: 3.8270 HB2 :: 1.7960 HB3 :: 2.1200 HG2 :: 2.0850 HG3 :: 2.5100 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.8600 Ave N Shift Values>> N :: 120.68(3.68) L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.37 R 0.03 A 0.02 G 0.02 C Shift Assignments>> CA :: 57.0900 CB :: 42.2240 CG :: 25.3930 CD1 :: 25.7660 CD2 :: 22.2980 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 :: 8.3230 HA :: 3.3940 HB2 :: 0.7830 HB3 :: 1.5540 HG :: 1.0790 HD1 :: 0.6760 HD2 :: 0.6760 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 :: 119.5230 Ave N Shift Values>> N :: 121.98(4.07) L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.47 C Shift Assignments>> CA :: 58.0960 CB :: 40.5900 CG :: 26.3340 CD1 :: 23.3730 CD2 :: 23.3730 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 :: 7.5490 HA :: 3.3730 HB2 :: 1.0410 HB3 :: 1.0410 HG :: 1.0090 HD1 :: 0.3340 HD2 :: 0.1880 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 :: 116.0640 Ave N Shift Values>> N :: 121.98(4.07) A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.43 I 0.02 C 0.02 C Shift Assignments>> CA :: 54.1980 CB :: 17.1940 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.4410 HA :: 3.7230 HB :: 1.2200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.0000 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 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> CA :: 46.0100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.1960 HA2 :: 3.0430 HA3 :: 3.4050 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.3410 Ave N Shift Values>> N :: 109.91(4.29) V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> CA :: 65.7540 CB :: 30.5210 CG1 :: 22.7910 CG2 :: 21.5570 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 :: 7.8640 HA :: 3.4490 HB :: 1.7750 HG1 :: 0.8010 HG2 :: 0.6500 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 :: 118.8650 Ave N Shift Values>> N :: 121.02(4.96) A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.35 I 0.03 C 0.02 C Shift Assignments>> CA :: 54.7250 CB :: 17.2480 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.8580 HA :: 3.8260 HB :: 0.7260 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.5110 Ave N Shift Values>> N :: 123.23(3.7) T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 62.9030 CB :: 69.2010 CG2 :: 20.6180 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 :: 7.7000 HA :: 4.4200 HB :: 4.3130 HG2 :: 1.2700 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.2030 Ave N Shift Values>> N :: 115.7(5.05) N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.28 C 0.13 L 0.07 Y 0.06 F 0.06 K 0.01 C Shift Assignments>> CA :: 52.9340 CB :: 39.7650 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 :: 7.4020 HA :: 5.5640 HB2 :: 2.8930 HB3 :: 3.2450 HD21 :: 8.8230 HD22 :: 7.1880 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 :: 117.0810 ND2 :: 116.1140 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 67.6200 CB :: 68.2160 CG2 :: 23.2650 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 :: 7.7200 HA :: 3.7500 HB :: 4.2080 HG2 :: 1.5140 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 :: 112.7250 Ave N Shift Values>> N :: 115.7(5.05) A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.26 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.1610 CB :: 16.9950 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4670 HA :: 4.2590 HB :: 1.5120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.6300 Ave N Shift Values>> N :: 123.23(3.7) Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> CA :: 60.0220 CB :: 38.2410 CD1 :: 132.4710 CD2 :: 132.4710 CE1 :: 117.8230 CE2 :: 117.8230 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 :: 8.1300 HA :: 4.3630 HB2 :: 3.0250 HB3 :: 3.3970 HD1 :: 7.0890 HD2 :: 7.0890 HE1 :: 6.8980 HE2 :: 6.8980 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 :: 119.4920 Ave N Shift Values>> N :: 120.79(4.69) L62 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.52 L 0.27 R 0.12 A 0.07 C Shift Assignments>> CA :: 57.3010 CB :: 41.1870 CG :: 27.7060 CD1 :: 25.8020 CD2 :: 20.6230 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 :: 8.3450 HA :: 3.8030 HB2 :: 1.3600 HB3 :: 1.9970 HG :: 1.2100 HD1 :: 2.3640(M) HD2 :: 1.0000 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.9300 Ave N Shift Values>> N :: 121.98(4.07) D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.22 F 0.2 D 0.08 N 0.07 I 0.05 E 0.05 L 0.03 C Shift Assignments>> CA :: 56.6320 CB :: 38.7410 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 :: 8.9260 HA :: 4.3680 HB2 :: 2.5330 HB3 :: 2.7320 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.9680 Ave N Shift Values>> N :: 120.73(4.2) G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> CA :: 46.2380 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.9610 HA2 :: 3.8030 HA3 :: 3.9600 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.4840 Ave N Shift Values>> N :: 109.91(4.29) L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.37 A 0.12 G 0.03 R 0.01 C Shift Assignments>> CA :: 56.1660 CB :: 42.3720 CG :: 25.1700 CD1 :: 25.0580 CD2 :: 21.3490 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 :: 7.5790 HA :: 4.1820 HB2 :: 1.3070 HB3 :: 2.1330 HG :: 1.5620 HD1 :: 0.7210 HD2 :: 0.7210 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 :: 118.8490 Ave N Shift Values>> N :: 121.98(4.07) M66 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.43 M 0.42 A 0.13 I 0.01 C Shift Assignments>> CA :: 55.7510 CB :: 33.8820 CG :: 30.5680 CE :: 16.9920 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.2490 HA :: 4.6150 HB2 :: 2.0280 HB3 :: 2.0280 HG2 :: 2.5750 HG3 :: 2.8380 HE :: 2.1140 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 :: 107.8150(M) Ave N Shift Values>> N :: 120.1(3.88) K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 R 0.11 V 0.04 K 0.03 C Shift Assignments>> CA :: 61.5090 CB :: 30.5210 CG :: 24.9180 CD :: 24.9530 CE :: 41.0780 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 :: 7.7700 HA :: 4.0110 HB2 :: 2.0330 HB3 :: 2.0330 HG2 :: 1.4890 HG3 :: 1.4890 HD2 :: 1.6550 HD3 :: 1.6550 HE2 :: 3.0000 HE3 :: 3.0000 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 :: 120.7730 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> CA :: 64.3750 CB :: 30.0020 CG :: 27.1270 CD :: 50.2820 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 :: 4.3030 HB2 :: 0.4470(S) HB3 :: 2.0780 HG2 :: 1.5640 HG3 :: 1.7200 HD2 :: 3.0950 HD3 :: 3.6980 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) Y69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> CA :: 56.1100 CB :: 38.7720 CD1 :: 132.5140 CD2 :: 132.5140 CE1 :: 117.8700 CE2 :: 117.8700 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 :: 7.5870 HA :: 4.7700 HB2 :: 2.6370 HB3 :: 3.5470 HD1 :: 7.0920 HD2 :: 7.0920 HE1 :: 6.8970 HE2 :: 6.8970 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.0700 Ave N Shift Values>> N :: 120.79(4.69) L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.23 G 0.13 A 0.02 R 0.01 C Shift Assignments>> CA :: 55.1930 CB :: 43.4940 CG :: 25.3440 CD1 :: 25.3590 CD2 :: 23.4430 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 :: 7.2310 HA :: 4.3400 HB2 :: 1.7360 HB3 :: 2.0740 HG :: 2.0890 HD1 :: 1.0310 HD2 :: 1.0200 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.9930 Ave N Shift Values>> N :: 121.98(4.07) S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.7400 CB :: 62.6670 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.8850 HA :: 4.2700 HB2 :: 4.1000 HB3 :: 4.1000 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 :: 120.8950 Ave N Shift Values>> N :: 116.3(3.95) R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.31 K 0.26 G 0.06 C Shift Assignments>> CA :: 54.2160 CB :: 31.4780 CG :: 25.2370 CD :: 43.0860 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 :: 7.5530 HA :: 4.5190 HB2 :: 1.7120 HB3 :: 2.0240 HG2 :: 1.5870 HG3 :: 1.5870 HD2 :: 2.9390 HD3 :: 2.9390 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 :: 115.9390 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.26 A 0.14 R 0.01 HN Overlap>> F34 C Shift Assignments>> CA :: 54.6440 CB :: 41.6010 CG :: 26.3730 CD1 :: 24.7680 CD2 :: 21.8220 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 :: 8.3910 HA :: 4.3600 HB2 :: 1.5450 HB3 :: 1.7470 HG :: 1.7450 HD1 :: 0.9000 HD2 :: 0.9000 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 :: 118.3400 Ave N Shift Values>> N :: 121.98(4.07) L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.37 R 0.02 C Shift Assignments>> CA :: 57.5870 CB :: 41.1750 CG :: 27.1580 CD1 :: 24.2570 CD2 :: 24.2570 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 :: 8.8090 HA :: 3.9000 HB2 :: 1.6450 HB3 :: 1.6450 HG :: 1.6600 HD1 :: 0.9300 HD2 :: 0.9300 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 :: 122.7300 Ave N Shift Values>> N :: 121.98(4.07) E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.32 I 0.15 K 0.1 Q 0.03 M 0.01 C Shift Assignments>> CA :: 58.0060 CB :: 28.5610 CG :: 36.3520 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 :: 8.9680 HA :: 4.1430 HB2 :: 2.0460 HB3 :: 2.0460 HG2 :: 2.2760 HG3 :: 2.2760 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 :: 114.3740 Ave N Shift Values>> N :: 120.68(3.68) E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.37 K 0.09 M 0.07 Q 0.03 I 0.03 C Shift Assignments>> CA :: 55.2010 CB :: 29.7940 CG :: 36.4560 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 :: 7.8330 HA :: 4.3030 HB2 :: 2.0600 HB3 :: 2.1250 HG2 :: 2.2120 HG3 :: 2.2120 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 :: 116.1610 Ave N Shift Values>> N :: 120.68(3.68) L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.25 R 0.04 G 0.03 C Shift Assignments>> CA :: 54.8820 CB :: 42.6160 CG :: 26.4280 CD1 :: 24.9880 CD2 :: 24.9880 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 :: 7.3950 HA :: 4.0560 HB2 :: 1.5930 HB3 :: 1.7570 HG :: 1.9750 HD1 :: 0.9050 HD2 :: 0.9050 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.0610 Ave N Shift Values>> N :: 121.98(4.07) G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.6660 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.6390 HA2 :: 4.0730 HA3 :: 4.0730 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.7400 Ave N Shift Values>> N :: 109.91(4.29) Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 R 0.3 K 0.26 Q 0.06 M 0.04 HN Overlap>> D26 C Shift Assignments>> CA :: 58.3570 CB :: 28.0260 CG :: 31.5250 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 :: 8.6120 HA :: 4.0600 HB2 :: 2.0740 HB3 :: 2.0740 HG2 :: 2.4040 HG3 :: 2.6880 HE21 :: 7.1680 HE22 :: 6.6320 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 :: 118.2950 NE2 :: 106.0500 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> A131 C Shift Assignments>> CA :: 67.2810 CB :: 30.5530 CG1 :: 22.3820 CG2 :: 20.4240 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 :: 8.9190 HA :: 3.5930 HB :: 2.0400 HG1 :: 0.8550 HG2 :: 0.7060 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 :: 118.3330 Ave N Shift Values>> N :: 121.02(4.96) E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.25 E 0.05 HN Overlap>> Q21 C Shift Assignments>> CA :: 61.9340 CB :: 27.9130 CG :: 37.6220 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.0670 HA :: 3.6480 HB2 :: 1.7650 HB3 :: 2.3480 HG2 :: 2.1720 HG3 :: 2.6500 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 :: 118.6480 Ave N Shift Values>> N :: 120.68(3.68) K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.44 R 0.08 M 0.01 C Shift Assignments>> CA :: 60.5180 CB :: 32.1920 CG :: 24.4710 CD :: 29.0750 CE :: 41.1450 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 :: 8.3260 HA :: 3.8240 HB2 :: 1.7440 HB3 :: 1.8950 HG2 :: 1.3350 HG3 :: 1.3350 HD2 :: 1.6690 HD3 :: 1.6690 HE2 :: 2.7410 HE3 :: 2.7410 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 :: 116.3080 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.26 I 0.06 C 0.03 C Shift Assignments>> CA :: 55.7330 CB :: 17.9880 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.9370 HA :: 4.1590 HB :: 1.6330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.3800 Ave N Shift Values>> N :: 123.23(3.7) V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> CA :: 66.5330 CB :: 31.5360 CG1 :: 22.3870 CG2 :: 23.4840 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 :: 8.6490 HA :: 3.4990 HB :: 2.1730 HG1 :: 1.1590 HG2 :: 1.0340 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.6310 Ave N Shift Values>> N :: 121.02(4.96) L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.37 R 0.1 C Shift Assignments>> CA :: 58.0630 CB :: 41.6200 CG :: 27.6950 CD1 :: 25.2730 CD2 :: 23.5020 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 :: 8.4830 HA :: 4.0050 HB2 :: 1.4620 HB3 :: 2.1230 HG :: 1.8650 HD1 :: 1.0010 HD2 :: 0.8990 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 :: 117.2270 Ave N Shift Values>> N :: 121.98(4.07) R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 G 0.3 R 0.23 I 0.04 K 0.02 C Shift Assignments>> CA :: 61.0190 CB :: 29.7920 CD :: 44.0440 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 :: 8.5980 HA :: 3.8570 HB2 :: 1.8800 HB3 :: 1.8800 HD2 :: 3.1450 HD3 :: 3.1450 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.8300 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 HN Overlap>> L127 C Shift Assignments>> CA :: 65.8480 CB :: 37.7740 CG1 :: 29.5840 CG2 :: 16.1470 CD1 :: 15.0410 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 :: 8.0520 HA :: 3.4350 HB :: 2.0230 HG2 :: 0.9030 HG12 :: 0.6490 HG13 :: 0.6490 HD1 :: 0.7410 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 :: 117.0650 Ave N Shift Values>> N :: 121.6(4.72) A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.44 C 0.03 I 0.01 C Shift Assignments>> CA :: 54.6220 CB :: 18.8470 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2370 HA :: 4.4990 HB :: 1.4280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.0050 Ave N Shift Values>> N :: 123.23(3.7) L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.44 R 0.02 A 0.01 C Shift Assignments>> CA :: 57.1250 CB :: 40.5580 CG :: 27.1150 CD1 :: 25.9830 CD2 :: 22.4400 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 :: 8.9210 HA :: 3.9860 HB2 :: 1.9720 HB3 :: 1.9720 HG :: 1.9610 HD1 :: 0.9040 HD2 :: 0.6500 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 :: 114.6260 Ave N Shift Values>> N :: 121.98(4.07) Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.34 C Shift Assignments>> CA :: 62.5970 CB :: 37.2700 CD1 :: 131.8440 CD2 :: 131.8440 CE1 :: 117.1800 CE2 :: 117.1800 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 :: 8.7500 HA :: 3.8320 HB2 :: 3.0980 HB3 :: 3.2970 HD1 :: 6.7510 HD2 :: 6.7510 HE1 :: 6.5080 HE2 :: 6.5080 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 :: 124.4850 Ave N Shift Values>> N :: 120.79(4.69) E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.32 E 0.14 C Shift Assignments>> CA :: 60.6910 CB :: 29.3320 CG :: 38.0210 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 :: 8.8740 HA :: 3.6000 HB2 :: 2.1130 HB3 :: 2.1130 HG2 :: 2.6430 HG3 :: 2.6430 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 :: 118.7160 Ave N Shift Values>> N :: 120.68(3.68) L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.31 R 0.12 G 0.03 C Shift Assignments>> CA :: 57.1000 CB :: 42.7740 CG :: 27.1570 CD1 :: 25.2590 CD2 :: 23.3070 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 :: 3.9540 HB2 :: 1.1550 HB3 :: 1.9190 HG :: 1.7320 HD1 :: 0.7300 HD2 :: 0.6480 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 :: 114.2170 Ave N Shift Values>> N :: 121.98(4.07) S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 60.5400 CB :: 64.3590 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.2810 HA :: 4.1870 HB2 :: 3.8280 HB3 :: 3.8280 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.5050 Ave N Shift Values>> N :: 116.3(3.95) K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.19 M 0.02 A 0.01 C Shift Assignments>> CA :: 55.1390 CB :: 33.1210 CG :: 23.5440 CD :: 27.6540 CE :: 41.7750 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 :: 8.3740 HA :: 4.6210 HB2 :: 1.0070 HB3 :: 1.5030 HG2 :: 1.2200 HG3 :: 1.4460 HD2 :: 1.4930 HD3 :: 1.6050 HE2 :: 2.7350 HE3 :: 2.7350 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 :: 116.7550 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.33 K 0.08 A 0.01 C Shift Assignments>> CA :: 50.8360 CB :: 27.3650 CG :: 24.4440 CD :: 40.1730 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 :: 7.5690 HA :: 4.9630 HB2 :: 2.2360 HB3 :: 2.2360 HG2 :: 1.2900 HG3 :: 1.2900 HD2 :: 3.2660 HD3 :: 3.4740 HE :: 8.3300 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.6960 NE :: 82.7970 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> V123 C Shift Assignments>> CA :: 60.2960 CB :: 62.4140 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.5360 HA :: 4.1700 HB2 :: 3.9590 HB3 :: 3.9590 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 :: 117.8160 Ave N Shift Values>> N :: 116.3(3.95) D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.18 C 0.16 Y 0.08 F 0.07 L 0.03 E 0.01 C Shift Assignments>> CA :: 53.3010 CB :: 38.7840 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.4320 HA :: 4.4280 HB2 :: 2.6860 HB3 :: 2.8340 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.6250 Ave N Shift Values>> N :: 120.73(4.2) V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> CA :: 59.5640 CB :: 32.4710 CG1 :: 20.7470 CG2 :: 19.5910 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 :: 7.9030 HA :: 4.3960 HB :: 2.1000 HG1 :: 0.9400 HG2 :: 0.8700 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.5670 Ave N Shift Values>> N :: 121.02(4.96) P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> CA :: 62.4650 CB :: 32.8080 CG :: 27.2430 CD :: 51.2960 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 :: 4.5160 HB2 :: 1.8160 HB3 :: 2.7720 HG2 :: 2.1620 HG3 :: 2.1620 HD2 :: 3.4870 HD3 :: 4.2690 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) Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> CA :: 61.8120 CB :: 38.7070 CD1 :: 132.4210 CD2 :: 132.4210 CE1 :: 118.0700 CE2 :: 118.0700 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 :: 8.5080 HA :: 3.7510 HB2 :: 2.8670 HB3 :: 2.8670 HD1 :: 6.7800 HD2 :: 6.7800 HE1 :: 6.6290 HE2 :: 6.6290 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.4210 Ave N Shift Values>> N :: 120.79(4.69) K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.17 M 0.02 C Shift Assignments>> CA :: 58.5570 CB :: 31.9770 CG :: 25.0160 CD :: 28.8730 CE :: 41.5240 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 :: 8.8110 HA :: 3.9040 HB2 :: 1.8740 HB3 :: 1.8740 HG2 :: 1.5710 HG3 :: 1.7320 HD2 :: 1.7800 HD3 :: 1.7800 HE2 :: 3.0940 HE3 :: 3.0940 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 :: 111.4770 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> CA :: 65.3610 CB :: 31.0040 CG1 :: 21.6880 CG2 :: 20.2630 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.9080 HA :: 3.7870 HB :: 2.1300 HG1 :: 1.0590 HG2 :: 0.9190 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 :: 117.3590 Ave N Shift Values>> N :: 121.02(4.96) A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.23 I 0.04 C 0.02 HN Overlap>> A36 C Shift Assignments>> CA :: 55.1640 CB :: 16.6970 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.6640 HA :: 3.8820 HB :: 1.2860 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.9800 Ave N Shift Values>> N :: 123.23(3.7) I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> CA :: 64.4770 CB :: 38.2790 CG1 :: 28.5950 CG2 :: 16.2790 CD1 :: 12.5190 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.9960 HA :: 3.5180 HB :: 1.5360 HG2 :: 0.8000 HG12 :: 0.6520 HG13 :: 1.4510 HD1 :: 0.2300 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 :: 111.4160 Ave N Shift Values>> N :: 121.6(4.72) N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.23 F 0.16 E 0.11 N 0.06 I 0.06 D 0.04 M 0.02 L 0.01 C Shift Assignments>> CA :: 56.7080 CB :: 38.0430 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 :: 8.2060 HA :: 4.4160 HB2 :: 2.8410 HB3 :: 2.9410 HD21 :: 7.8240 HD22 :: 6.9350 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 :: 116.3210 ND2 :: 111.4270 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.29 E 0.28 K 0.03 C Shift Assignments>> CA :: 58.8070 CB :: 29.0850 CG :: 37.5760 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.0540 HA :: 4.0040 HB2 :: 1.9720 HB3 :: 1.9720 HG2 :: 2.5870 HG3 :: 2.5870 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 :: 116.4780 Ave N Shift Values>> N :: 120.68(3.68) A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.46 C 0.03 I 0.02 C Shift Assignments>> CA :: 54.7100 CB :: 18.6230 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.1020 HA :: 4.3250 HB :: 1.4110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.0580 Ave N Shift Values>> N :: 123.23(3.7) I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> CA :: 65.3660 CB :: 37.4090 CG1 :: 28.8920 CG2 :: 17.6940 CD1 :: 12.8440 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 :: 7.8030 HA :: 3.5460 HB :: 2.1040 HG2 :: 0.9950 HG12 :: 1.1730 HG13 :: 1.8340 HD1 :: 0.9210 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 :: 116.2730 Ave N Shift Values>> N :: 121.6(4.72) E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.25 I 0.18 K 0.11 Q 0.06 HN Overlap>> L127 C Shift Assignments>> CA :: 59.0630 CB :: 28.1090 CG :: 35.8340 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 :: 7.9810 HA :: 3.9790 HB2 :: 2.0700 HB3 :: 2.0700 HG2 :: 2.3720 HG3 :: 2.3720 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 :: 117.1910 Ave N Shift Values>> N :: 120.68(3.68) L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.32 R 0.06 G 0.02 C Shift Assignments>> CA :: 57.6400 CB :: 42.3030 CG :: 26.3810 CD1 :: 25.3630 CD2 :: 23.3130 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 :: 8.9390 HA :: 4.2640 HB2 :: 1.4150 HB3 :: 2.2740 HG :: 2.1380 HD1 :: 0.9960 HD2 :: 1.0070 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.8110 Ave N Shift Values>> N :: 121.98(4.07) A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.23 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.1470 CB :: 16.6660 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.5870 HA :: 4.0050 HB :: 1.5500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.2620 Ave N Shift Values>> N :: 123.23(3.7) K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.42 R 0.1 M 0.01 HN Overlap>> V40 C Shift Assignments>> CA :: 59.1150 CB :: 32.3630 CG :: 25.2230 CD :: 29.0880 CE :: 41.1710 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 :: 8.2650 HA :: 4.2630 HB2 :: 1.8400 HB3 :: 1.8400 HG2 :: 1.0550 HG3 :: 1.4610 HD2 :: 1.3850 HD3 :: 1.3850 HE2 :: 2.2780 HE3 :: 2.4310 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 :: 117.6500 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.2550 CB :: 62.9930 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.9880 HA :: 4.1190 HB2 :: 3.2420 HB3 :: 3.6550 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.6400 Ave N Shift Values>> N :: 116.3(3.95) F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> CA :: 58.3890 CB :: 40.7660 CD1 :: 131.2250 CD2 :: 131.2250 CE1 :: 130.2990 CE2 :: 130.2990 CZ :: 128.9200 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 :: 8.2070 HA :: 4.8180 HB2 :: 2.5850 HB3 :: 3.2170 HD1 :: 7.4280 HD2 :: 7.4280 HE1 :: 7.3090 HE2 :: 7.3090 HZ :: 7.1590 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 :: 113.3940 Ave N Shift Values>> N :: 120.69(4.18) G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.11 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> CA :: 43.5910 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.0460 HA2 :: 3.9680 HA3 :: 4.4410 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.2510 Ave N Shift Values>> N :: 109.91(4.29) A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 C Shift Assignments>> CA :: 51.0550 CB :: 18.9520 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4250 HA :: 4.6250 HB :: 1.5850 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.4650 Ave N Shift Values>> N :: 123.23(3.7) E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.28 I 0.16 K 0.12 Q 0.07 M 0.01 C Shift Assignments>> CA :: 59.2960 CB :: 28.6790 CG :: 35.6990 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 :: 8.8800 HA :: 4.1550 HB2 :: 2.0700 HB3 :: 2.1600 HG2 :: 2.3790 HG3 :: 2.3790 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 :: 120.1570 Ave N Shift Values>> N :: 120.68(3.68) D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.21 C 0.14 Y 0.12 F 0.11 L 0.09 K 0.02 I 0.01 C Shift Assignments>> CA :: 54.5110 CB :: 39.7740 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 :: 8.7350 HA :: 4.7330 HB2 :: 2.8380 HB3 :: 3.0150 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 :: 114.5090 Ave N Shift Values>> N :: 120.73(4.2) S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.8320 CB :: 62.3530 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.3510 HA :: 4.4060 HB2 :: 4.0010 HB3 :: 4.0010 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.1660 Ave N Shift Values>> N :: 116.3(3.95) H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 H 0.32 C 0.29 C Shift Assignments>> CA :: 59.0520 CB :: 29.5670 CD2 :: 119.5100 CE1 :: 138.5700 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.1900 HA :: 4.1590 HB2 :: 3.0350 HB3 :: 3.2930 HD2 :: 7.2660 HE1 :: 7.8780 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 :: 118.3720 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.22 M 0.02 C Shift Assignments>> CA :: 58.5210 CB :: 31.3130 CG :: 24.3680 CD :: 28.8250 CE :: 41.6370 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.6440 HA :: 3.9330 HB2 :: 1.6650 HB3 :: 1.7680 HG2 :: 0.7500 HG3 :: 1.1060 HD2 :: 1.5740 HD3 :: 1.6270 HE2 :: 2.9840 HE3 :: 2.9840 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 :: 120.3560 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.37 C 0.24 C Shift Assignments>> CA :: 60.5350 CB :: 38.2800 CD1 :: 131.3230 CD2 :: 131.3230 CE1 :: 129.3750 CE2 :: 129.3750 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 :: 7.4760 HA :: 4.3320 HB2 :: 3.2460 HB3 :: 3.3980 HD1 :: 7.1940 HD2 :: 6.9200 HE1 :: 6.7580 HE2 :: 6.4680 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 :: 120.7250 Ave N Shift Values>> N :: 120.69(4.18) V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> S96 C Shift Assignments>> CA :: 66.4040 CB :: 31.4840 CG1 :: 21.9060 CG2 :: 20.1830 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 :: 8.4990 HA :: 3.3440 HB :: 2.0870 HG1 :: 1.1420 HG2 :: 0.8550 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.7120 Ave N Shift Values>> N :: 121.02(4.96) N124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.2 F 0.19 D 0.12 N 0.1 L 0.05 I 0.04 E 0.03 C Shift Assignments>> CA :: 56.1100 CB :: 39.0110 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 :: 8.3360 HA :: 4.1140 HB2 :: 2.9360 HB3 :: 2.9360 HD21 :: 7.3880 HD22 :: 6.8650 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.9190 ND2 :: 112.0420 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.13 L 0.05 C Shift Assignments>> CA :: 46.5490 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.8950 HA2 :: 3.8480 HA3 :: 3.9770 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.6750 Ave N Shift Values>> N :: 109.91(4.29) V126 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>> CA :: 65.8260 CB :: 31.3160 CG1 :: 20.8170 CG2 :: 22.2840 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 :: 7.4700 HA :: 3.5850 HB :: 1.8670 HG1 :: 0.8050 HG2 :: 0.6000 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 :: 118.9600 Ave N Shift Values>> N :: 121.02(4.96) L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.32 R 0.03 A 0.02 HN Overlap>> I87 E109 C Shift Assignments>> CA :: 57.7120 CB :: 40.5900 CG :: 25.9830 CD1 :: 26.8730 CD2 :: 21.5970 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 :: 8.0560 HA :: 3.8160 HB2 :: 1.2080 HB3 :: 1.8740 HG :: 1.7220 HD1 :: 0.7230 HD2 :: 0.5980 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 :: 117.1150 Ave N Shift Values>> N :: 121.98(4.07) D128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.16 C 0.14 D 0.14 L 0.14 K 0.12 N 0.03 I 0.03 R 0.02 C Shift Assignments>> CA :: 56.6610 CB :: 40.6670 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 :: 8.3760 HA :: 4.3460 HB2 :: 2.5240 HB3 :: 2.7880 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.5630 Ave N Shift Values>> N :: 120.73(4.2) K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.02 C Shift Assignments>> CA :: 56.6090 CB :: 33.0010 CG :: 24.4260 CD :: 28.5910 CE :: 41.9850 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.7130 HA :: 4.1400 HB2 :: 1.4780 HB3 :: 1.5640 HG2 :: 1.4330 HG3 :: 1.6860 HD2 :: 1.8170 HD3 :: 1.8170 HE2 :: 3.0700 HE3 :: 3.0700 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 :: 112.9340 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.3 C 0.02 HN Overlap>> Q33 C Shift Assignments>> CA :: 53.4750 CB :: 18.9290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2520 HA :: 3.7020 HB :: 1.0640 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.7770 Ave N Shift Values>> N :: 123.23(3.7) A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 I 0.19 A 0.03 C 0.02 HN Overlap>> V80 C Shift Assignments>> CA :: 57.2940 CB :: 16.0230 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.9660 HA :: 4.0650 HB :: 1.3800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.3670 Ave N Shift Values>> N :: 123.23(3.7) P132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> CA :: 64.4040 CB :: 30.5510 CG :: 27.4550 CD :: 50.3570 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 :: 4.4610 HB2 :: 1.7750 HB3 :: 2.2270 HG2 :: 1.9950 HG3 :: 1.9950 HD2 :: 3.3770 HD3 :: 3.6620 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) V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> CA :: 64.2440 CB :: 31.3300 CG1 :: 20.9970 CG2 :: 20.4820 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.7700 HA :: 3.8020 HB :: 2.2640 HG1 :: 1.0900 HG2 :: 1.0610 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.3370 Ave N Shift Values>> N :: 121.02(4.96) I134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> CA :: 63.2800 CB :: 38.7290 CG1 :: 27.4450 CG2 :: 17.6260 CD1 :: 15.6790 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 :: 7.4290 HA :: 3.9030 HB :: 1.7630 HG2 :: 0.9270 HG12 :: 1.2410 HG13 :: 1.8590 HD1 :: 0.8610 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.7170 Ave N Shift Values>> N :: 121.6(4.72) R135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 C 0.25 R 0.08 HN Overlap>> C12 C Shift Assignments>> CA :: 52.6450 CB :: 31.0550 CG :: 25.5120 CD :: 45.0520 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 :: 8.2820 HA :: 5.0830 HB2 :: 1.8490 HB3 :: 2.1550 HG2 :: 1.6350 HG3 :: 1.9300 HD2 :: 3.2100 HD3 :: 3.7040 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 :: 115.3740 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.11 C Shift Assignments>> CA :: 64.2530 CB :: 31.4130 CG :: 26.9140 CD :: 49.6060 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 :: 4.7700 HB2 :: 1.8740 HB3 :: 2.4310 HG2 :: 2.0220 HG3 :: 2.0220 HD2 :: 3.4350 HD3 :: 3.7240 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) N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.28 E 0.06 Y 0.05 M 0.05 D 0.03 F 0.02 K 0.01 C Shift Assignments>> CA :: 52.4870 CB :: 36.8060 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 :: 8.2190 HA :: 4.5220 HB2 :: 2.8020 HB3 :: 2.9100 HD21 :: 7.5360 HD22 :: 6.9810 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 :: 111.8560 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K138 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 L 0.25 K 0.2 R 0.09 C Shift Assignments>> CA :: 56.6480 CB :: 29.0760 CG :: 24.0500 CE :: 41.5770 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 :: 8.3790 HA :: 2.5850(S) HB2 :: 1.0810 HB3 :: 1.5620 HG2 :: 0.8930 HG3 :: 1.1560 HD2 :: 1.1000 HD3 :: 1.1000 HE2 :: 2.9080 HE3 :: 2.9080 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.0460 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.06 M 0.02 C Shift Assignments>> CA :: 57.2990 CB :: 34.3670 CG :: 24.1510 CD :: 28.8230 CE :: 41.4200 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.8060 HA :: 4.3900 HB2 :: 1.5320 HB3 :: 1.7570 HG2 :: 1.3620 HG3 :: 1.3620 HD2 :: 1.6700 HD3 :: 1.6700 HE2 :: 2.9900 HE3 :: 2.9900 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.1060 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 134 #Clerical: 0 #Suspicious: 3 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 134 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 138 #Suspicious: 1 C Shift Results: #Consistent: 474 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 783 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 N Shift Results: #Consistent: 135 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: Q38 HG2 = 1.2960(S), Expected = 2.32, Std = 0.2900, ChiSquare = 4.1394e-04 L62 HD1 = 2.3640(M), Expected = 0.77, Std = 0.2700, ChiSquare = 3.5543e-09 M66 N = 107.8150(M), Expected = 120.10, Std = 3.8800, ChiSquare = 1.5442e-03 P68 HB2 = 0.4470(S), Expected = 2.05, Std = 0.3900, ChiSquare = 3.9522e-05 K138 HA = 2.5850(S), Expected = 4.28, Std = 0.4500, ChiSquare = 1.6544e-04 K138 SRO Rule Break>> HA > HE2 : 0.99351606248158 K138 SRO Rule Break>> HA > HE3 : 0.993548387096774