G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.39 L 0.3 G 0.11 D 0.05 F 0.04 K 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.5300 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.0400 HA3 :: 4.0400 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.2000 CB :: 32.3700 CG :: 27.0500 CD :: 49.6300 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 :: 4.5300 HB2 :: 2.3178 HB3 :: 2.3178 HG2 :: 2.0400 HG3 :: 2.0400 HD2 :: 3.6200 HD3 :: 3.6200 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) L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.11 G 0.02 A 0.02 C Shift Assignments>> CA :: 55.2500 CB :: 42.3400 CG :: 27.0700 CD1 :: 25.0500 CD2 :: 23.5000 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 :: 8.6200 HA :: 4.4363 HB2 :: 1.7309 HB3 :: 1.7309 HG :: 1.6317 HD1 :: 0.9565 HD2 :: 0.9565 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 :: 122.6100 Ave N Shift Values>> N :: 121.98(4.07) G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 R 0.04 HN Overlap>> T69 C Shift Assignments>> CA :: 45.2500 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.5200 HA2 :: 4.0770 HA3 :: 4.0770 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.2000 Ave N Shift Values>> N :: 109.91(4.29) S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.4000 CB :: 63.3460 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.4000 HA :: 4.3522 HB2 :: 3.9247 HB3 :: 3.9247 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 :: 116.8400 Ave N Shift Values>> N :: 116.3(3.95) A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.35 C Shift Assignments>> CA :: 53.7885 CB :: 18.8033 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4600 HA :: 4.3491 HB :: 1.4860 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.0900 Ave N Shift Values>> N :: 123.23(3.7) D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.21 K 0.2 F 0.11 Y 0.09 R 0.06 N 0.04 C Shift Assignments>> CA :: 55.4285 CB :: 41.4332 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.2500 HA :: 4.6202 HB2 :: 2.8817 HB3 :: 2.7724 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 :: 119.9000 Ave N Shift Values>> N :: 120.73(4.2) T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.7352 CB :: 68.210 CG2 :: 23.3870 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 :: 8.1500 HA :: 3.9529 HB :: 4.1633 HG2 :: 1.1180 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.0800 Ave N Shift Values>> N :: 115.7(5.05) L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.08 C Shift Assignments>> CA :: 58.4930 CB :: 40.7890 CG :: 27.2552 CD1 :: 22.6690 CD2 :: 25.5125 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 :: 8.5374 HA :: 3.9866 HB2 :: 1.9854 HB3 :: 1.5600 HG :: 1.5509 HD1 :: 0.7700 HD2 :: 0.9600 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 :: 121.3981 Ave N Shift Values>> N :: 121.98(4.07) E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.42 K 0.08 Q 0.02 M 0.02 C Shift Assignments>> CA :: 60.2906 CB :: 29.3541 CG :: 36.2910 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 :: 8.7000 HA :: 4.0247 HB2 :: 2.1800 HB3 :: 2.2300 HG2 :: 2.3100 HG3 :: 2.4200 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 :: 124.1800 Ave N Shift Values>> N :: 120.68(3.68) R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 R 0.33 K 0.01 C Shift Assignments>> CA :: 59.7246 CB :: 32.5726 CG :: 27.2190 CD :: 44.6792 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 :: 8.1200 HA :: 4.0843 HB2 :: 2.0789 HB3 :: 1.9608 HG2 :: 1.7141 HG3 :: 1.9800 HD2 :: 3.3015 HD3 :: 3.0257 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 :: 119.7400 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.9383 CB :: 31.9191 CG1 :: 24.3348 CG2 :: 21.4790 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 :: 8.7900 HA :: 3.6607 HB :: 2.1885 HG1 :: 1.1000 HG2 :: 0.9500 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 :: 119.2200 Ave N Shift Values>> N :: 121.02(4.96) T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 68.4050 CB :: 68.5100 CG2 :: 20.4200 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 :: 8.6500 HA :: 3.7100 HB :: 4.4300 HG2 :: 1.2508 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 :: 116.8600 Ave N Shift Values>> N :: 115.7(5.05) K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.33 M 0.02 G 0.01 HN Overlap>> D63 C Shift Assignments>> CA :: 59.6130 CB :: 32.1445 CG :: 24.7739 CD :: 28.9239 CE :: 42.2060 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 :: 7.6039 HA :: 3.9581 HB2 :: 1.9560 HB3 :: 1.9560 HG2 :: 1.4525 HG3 :: 1.5800 HD2 :: 1.6565 HD3 :: 1.6565 HE2 :: 3.0046 HE3 :: 3.0046 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 :: 120.3407 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.5400 CB :: 38.4500 CG1 :: 29.5214 CG2 :: 17.1736 CD1 :: 14.1182 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 :: 7.1800 HA :: 3.8757 HB :: 2.0135 HG2 :: 0.8900 HG12 :: 1.8000 HG13 :: 1.3100 HD1 :: 0.8800 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 :: 118.4300 Ave N Shift Values>> N :: 121.6(4.72) I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 V 0.04 C Shift Assignments>> CA :: 66.1900 CB :: 38.0900 CG1 :: 30.0393 CG2 :: 18.6231 CD1 :: 16.6970 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 :: 8.1627 HA :: 3.4970 HB :: 2.0413 HG2 :: 0.9100 HG12 :: 2.0900 HG13 :: 1.0400 HD1 :: 0.9155 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.1274 Ave N Shift Values>> N :: 121.6(4.72) V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.8968 CB :: 32.0926 CG1 :: 20.5609 CG2 :: 22.5660 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 :: 8.7870 HA :: 3.5299 HB :: 2.1953 HG1 :: 1.0865 HG2 :: 0.9876 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 :: 120.9983 Ave N Shift Values>> N :: 121.02(4.96) D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 K 0.17 L 0.15 D 0.12 I 0.04 R 0.03 N 0.02 C Shift Assignments>> CA :: 57.1600 CB :: 40.8400 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 :: 8.1600 HA :: 4.4033 HB2 :: 2.8353 HB3 :: 2.6861 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 :: 119.4400 Ave N Shift Values>> N :: 120.73(4.2) R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 K 0.34 L 0.02 G 0.01 C Shift Assignments>> CA :: 57.4000 CB :: 30.4258 CG :: 26.6580 CD :: 42.0691 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 :: 8.3200 HA :: 4.3434 HB2 :: 2.0615 HB3 :: 1.8969 HG2 :: 1.5687 HG3 :: 1.6605 HD2 :: 3.2000 HD3 :: 3.3000 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 :: 116.4000 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 A 0.19 G 0.04 C Shift Assignments>> CA :: 54.6100 CB :: 42.3000 CG :: 26.7210 CD1 :: 22.2021 CD2 :: 22.2021 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 :: 8.7400 HA :: 4.6180 HB2 :: 1.9902 HB3 :: 1.7580 HD1 :: 0.8227 HD2 :: 0.9935 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 :: 114.5500 Ave N Shift Values>> N :: 121.98(4.07) G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.0084 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.0400 HA2 :: 4.0624 HA3 :: 3.9487 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.9600 Ave N Shift Values>> N :: 109.91(4.29) V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.03 C Shift Assignments>> CA :: 58.8975 CB :: 32.6744 CG1 :: 19.4285 CG2 :: 22.4646 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 :: 6.4000 HA :: 4.4320 HB :: 2.4872 HG1 :: 0.6950 HG2 :: 0.9700 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 :: 109.4500 Ave N Shift Values>> N :: 121.02(4.96) D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.22 R 0.17 K 0.13 F 0.05 Y 0.04 N 0.03 G 0.02 C Shift Assignments>> CA :: 53.9500 CB :: 42.5500 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 :: 8.5635 HA :: 4.5844 HB2 :: 2.5682 HB3 :: 2.6697 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 :: 121.1378 Ave N Shift Values>> N :: 120.73(4.2) E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.41 K 0.09 Q 0.03 M 0.02 C Shift Assignments>> CA :: 60.2381 CB :: 29.2443 CG :: 36.2356 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.9600 HA :: 3.6353 HB2 :: 2.0245 HB3 :: 1.9800 HG2 :: 2.2585 HG3 :: 2.2585 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.6200 Ave N Shift Values>> N :: 120.68(3.68) A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.38 I 0.01 C Shift Assignments>> CA :: 53.9615 CB :: 18.5750 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.7104 HA :: 4.0690 HB :: 1.3773 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.2743 Ave N Shift Values>> N :: 123.23(3.7) D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.2 K 0.14 F 0.11 Y 0.1 N 0.09 R 0.03 C Shift Assignments>> CA :: 54.8256 CB :: 40.9824 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 :: 7.7552 HA :: 4.5786 HB2 :: 2.6869 HB3 :: 2.6869 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 :: 114.9379 Ave N Shift Values>> N :: 120.73(4.2) V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 63.8477 CB :: 29.2863 CG1 :: 24.0204 CG2 :: 22.3278 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 :: 7.6000 HA :: 3.5340 HB :: 2.3698 HG1 :: 0.9300 HG2 :: 0.8800 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.5400 Ave N Shift Values>> N :: 121.02(4.96) K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.23 G 0.03 M 0.02 A 0.01 C Shift Assignments>> CA :: 53.4424 CB :: 35.2857 CG :: 24.5975 CD :: 29.0238 CE :: 42.2352 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 :: 6.7100 HA :: 4.6457 HB2 :: 2.1148 HB3 :: 1.4828 HG2 :: 1.3000 HG3 :: 1.3800 HD2 :: 1.7100 HD3 :: 1.7100 HE2 :: 3.0251 HE3 :: 3.0251 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.2300 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.08 C Shift Assignments>> CA :: 58.0785 CB :: 41.2714 CG :: 26.9730 CD1 :: 23.0091 CD2 :: 25.2563 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 :: 8.8133 HA :: 3.6800 HB2 :: 1.8000 HB3 :: 1.4200 HG :: 1.8300 HD1 :: 0.8500 HD2 :: 0.9600 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 :: 121.3330 Ave N Shift Values>> N :: 121.98(4.07) E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 K 0.22 Q 0.11 I 0.1 M 0.03 C Shift Assignments>> CA :: 56.7800 CB :: 28.8120 CG :: 36.0469 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 :: 9.0400 HA :: 4.1964 HB2 :: 2.0000 HB3 :: 2.0800 HG2 :: 2.2500 HG3 :: 2.2500 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 :: 114.2600 Ave N Shift Values>> N :: 120.68(3.68) A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.19 C Shift Assignments>> CA :: 52.2181 CB :: 18.7904 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.6900 HA :: 4.3491 HB :: 1.4044 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.1000 Ave N Shift Values>> N :: 123.23(3.7) S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.9287 CB :: 63.5943 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.0100 HA :: 4.7630 HB2 :: 3.9156 HB3 :: 4.0782 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 :: 118.5700 Ave N Shift Values>> N :: 116.3(3.95) F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 F 0.26 C Shift Assignments>> CA :: 61.9737 CB :: 38.2329 CD1 :: 130.7500 CE1 :: 127.7200 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 :: 8.2233 HA :: 4.1367 HB2 :: 2.8759 HB3 :: 2.9881 HD1 :: 6.9700 HD2 :: 6.9700 HE1 :: 6.7800 HE2 :: 6.7800 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 :: 125.9693 Ave N Shift Values>> N :: 120.69(4.18) K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.29 M 0.03 G 0.01 C Shift Assignments>> CA :: 58.4806 CB :: 33.0113 CG :: 25.1185 CD :: 29.4451 CE :: 41.9547 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 :: 8.7200 HA :: 4.7572 HB2 :: 1.8320 HB3 :: 1.8320 HG2 :: 1.5489 HG3 :: 1.3000 HD2 :: 1.7400 HD3 :: 1.7400 HE2 :: 2.9542 HE3 :: 2.9542 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 :: 115.8600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.36 K 0.06 M 0.03 Q 0.01 C Shift Assignments>> CA :: 59.3800 CB :: 29.7610 CG :: 36.8294 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 :: 8.1800 HA :: 4.2049 HB2 :: 2.0786 HB3 :: 1.9079 HG2 :: 2.3278 HG3 :: 2.3278 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 :: 115.5900 Ave N Shift Values>> N :: 120.68(3.68) D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.23 R 0.16 D 0.12 F 0.11 Y 0.08 N 0.01 C Shift Assignments>> CA :: 56.2510 CB :: 42.0997 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 :: 7.8700 HA :: 4.9900 HB2 :: 2.7740 HB3 :: 3.1416 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 :: 114.8400 Ave N Shift Values>> N :: 120.73(4.2) L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 A 0.18 R 0.06 C Shift Assignments>> CA :: 54.3359 CB :: 41.4647 CG :: 26.4600 CD1 :: 22.4000 CD2 :: 26.2900 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.3700 HA :: 4.5850 HB2 :: 2.3229 HB3 :: 1.7106 HG :: 1.5200 HD1 :: 0.7450 HD2 :: 0.6900 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.5900 Ave N Shift Values>> N :: 121.98(4.07) G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.4980 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.2600 HA2 :: 3.8674 HA3 :: 3.9528 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.8600 Ave N Shift Values>> N :: 109.91(4.29) A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.14 L 0.03 C Shift Assignments>> CA :: 51.4851 CB :: 20.5511 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4600 HA :: 4.5962 HB :: 1.2508 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.3500 Ave N Shift Values>> N :: 123.23(3.7) D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 N 0.14 K 0.09 R 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> CA :: 52.1307 CB :: 41.8246 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 :: 9.2400 HA :: 4.9020 HB2 :: 3.1981 HB3 :: 2.8247 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 :: 122.5100 Ave N Shift Values>> N :: 120.73(4.2) S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> CA :: 60.9389 CB :: 65.5145 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.7600 HA :: 4.1796 HB2 :: 4.1280 HB3 :: 4.1280 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 :: 112.7300 Ave N Shift Values>> N :: 116.3(3.95) L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> CA :: 57.6143 CB :: 40.8533 CG :: 27.1738 CD1 :: 24.1673 CD2 :: 24.3700 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.9900 HA :: 4.1987 HB2 :: 1.7690 HB3 :: 1.7690 HG :: 1.6600 HD1 :: 0.9407 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 :: 124.4100 Ave N Shift Values>> N :: 121.98(4.07) D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.18 L 0.17 Y 0.14 R 0.11 D 0.08 I 0.03 C Shift Assignments>> CA :: 57.4600 CB :: 41.6700 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 :: 8.3455 HA :: 4.3200 HB2 :: 2.3300 HB3 :: 3.1500 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 :: 119.9904 Ave N Shift Values>> N :: 120.73(4.2) V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.3524 CB :: 31.1756 CG1 :: 23.1085 CG2 :: 21.4147 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 :: 7.8100 HA :: 3.3027 HB :: 2.1159 HG1 :: 0.8653 HG2 :: 0.8100 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 :: 117.5100 Ave N Shift Values>> N :: 121.02(4.96) V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.5814 CB :: 31.7889 CG1 :: 22.9102 CG2 :: 21.1243 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 :: 7.4000 HA :: 3.5869 HB :: 2.2681 HG1 :: 1.1219 HG2 :: 1.0167 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 :: 119.8000 Ave N Shift Values>> N :: 121.02(4.96) E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.34 K 0.12 Q 0.04 M 0.01 C Shift Assignments>> CA :: 59.3822 CB :: 28.8964 CG :: 36.3286 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 :: 7.9600 HA :: 4.0812 HB2 :: 2.0800 HB3 :: 2.0800 HG2 :: 2.5189 HG3 :: 2.2700 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 :: 118.7100 Ave N Shift Values>> N :: 120.68(3.68) L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.13 G 0.01 C Shift Assignments>> CA :: 58.3224 CB :: 41.9720 CG :: 27.0072 CD1 :: 25.3810 CD2 :: 25.3810 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 :: 8.5000 HA :: 3.8922 HB2 :: 1.6805 HB3 :: 1.5149 HG :: 1.5600 HD1 :: 0.5404 HD2 :: 0.4900 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 :: 121.9700 Ave N Shift Values>> N :: 121.98(4.07) V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.7089 CB :: 30.9822 CG1 :: 23.1656 CG2 :: 21.7771 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 :: 8.4621 HA :: 3.3715 HB :: 2.2236 HG1 :: 0.9200 HG2 :: 0.8200 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 :: 119.9763 Ave N Shift Values>> N :: 121.02(4.96) M49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 I 0.01 C Shift Assignments>> CA :: 59.2503 CB :: 32.8491 CG :: 32.3337 CE :: 16.9800 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 :: 7.7613 HA :: 4.4569 HB2 :: 2.2610 HB3 :: 2.2610 HG2 :: 2.8200 HG3 :: 2.6100 HE :: 2.1200 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 :: 118.3709 Ave N Shift Values>> N :: 120.1(3.88) E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.3 K 0.13 Q 0.06 M 0.02 C Shift Assignments>> CA :: 59.6273 CB :: 29.1870 CG :: 35.9909 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 :: 8.0700 HA :: 4.2785 HB2 :: 2.2545 HB3 :: 2.1605 HG2 :: 2.4245 HG3 :: 2.5200 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 :: 120.0500 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 0.96 R 0.02 C Shift Assignments>> CA :: 58.4227 CB :: 41.3227 CG :: 26.2046 CD1 :: 24.1527 CD2 :: 24.9277 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 :: 8.6500 HA :: 4.2027 HB2 :: 2.3200 HB3 :: 1.3600 HG :: 0.9800 HD1 :: 1.0264 HD2 :: 0.7700 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 :: 121.3800 Ave N Shift Values>> N :: 121.98(4.07) E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.45 M 0.03 K 0.03 C Shift Assignments>> CA :: 60.1410 CB :: 30.1427 CG :: 37.1136 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 :: 8.5500 HA :: 3.9667 HB2 :: 2.2300 HB3 :: 2.5800 HG2 :: 2.8000 HG3 :: 2.2100 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 :: 119.0600 Ave N Shift Values>> N :: 120.68(3.68) D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.19 F 0.17 D 0.15 Y 0.14 R 0.06 N 0.02 I 0.02 C Shift Assignments>> CA :: 56.5762 CB :: 41.2471 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 :: 7.6284 HA :: 4.5681 HB2 :: 2.8267 HB3 :: 2.8267 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 :: 117.4887 Ave N Shift Values>> N :: 120.73(4.2) E54 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> E 0.3 Q 0.28 K 0.25 M 0.07 I 0.05 R 0.02 C Shift Assignments>> CA :: 58.1193 CB :: 29.4366 CG :: 34.6928 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 :: 4.0107 HB2 :: 2.1200 HB3 :: 1.7049 HG2 :: 1.8900 HG3 :: 0.9928(M) 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 :: 120.4500 Ave N Shift Values>> N :: 120.68(3.68) F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 F 0.48 C Shift Assignments>> CA :: 58.4982 CB :: 38.7773 CD1 :: 132.4400 CE1 :: 130.1300 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 :: 8.0600 HA :: 4.4932 HB2 :: 3.4188 HB3 :: 2.7690 HD1 :: 7.5800 HD2 :: 7.5800 HE1 :: 7.1800 HE2 :: 7.1800 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.7100 Ave N Shift Values>> N :: 120.69(4.18) D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 D 0.22 Y 0.19 F 0.16 L 0.06 E 0.03 I 0.02 C Shift Assignments>> CA :: 54.8934 CB :: 38.9500 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 :: 7.7864 HA :: 4.4690 HB2 :: 3.1510 HB3 :: 2.5310 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 :: 121.7356 Ave N Shift Values>> N :: 120.73(4.2) M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.4 I 0.02 C Shift Assignments>> CA :: 54.0768 CB :: 36.3670 CG :: 31.2293 CE :: 17.4600 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 :: 8.4500 HA :: 4.8938 HB2 :: 2.0900 HB3 :: 1.9500 HG2 :: 2.4842 HG3 :: 2.3380 HE :: 2.0000 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 :: 115.6500 Ave N Shift Values>> N :: 120.1(3.88) E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 M 0.38 Q 0.05 K 0.04 I 0.01 C Shift Assignments>> CA :: 55.1955 CB :: 31.5860 CG :: 36.1564 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 :: 8.3645 HA :: 4.6500 HB2 :: 2.1193 HB3 :: 2.2074 HG2 :: 1.9013 HG3 :: 1.9013 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 :: 120.2770 Ave N Shift Values>> N :: 120.68(3.68) I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.7349 CB :: 38.5086 CG1 :: 27.4838 CG2 :: 16.0969 CD1 :: 12.5051 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.5600 HA :: 4.2891 HB :: 1.5583 HG2 :: 0.5700 HG12 :: 1.5000 HG13 :: 0.9600 HD1 :: 0.5830 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 :: 127.8600 Ave N Shift Values>> N :: 121.6(4.72) S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.9456 CB :: 64.4839 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.0500 HA :: 4.4000 HB2 :: 4.3000 HB3 :: 4.0900 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 :: 125.4900 Ave N Shift Values>> N :: 116.3(3.95) D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.32 I 0.11 D 0.08 L 0.07 K 0.03 N 0.02 E 0.01 C Shift Assignments>> CA :: 57.7270 CB :: 39.7000 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 :: 8.8600 HA :: 4.3084 HB2 :: 2.7206 HB3 :: 2.6110 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 :: 122.7500 Ave N Shift Values>> N :: 120.73(4.2) E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.35 K 0.1 Q 0.02 M 0.02 C Shift Assignments>> CA :: 59.3360 CB :: 29.2075 CG :: 36.5248 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 :: 8.5800 HA :: 4.0198 HB2 :: 1.9606 HB3 :: 1.9606 HG2 :: 2.3009 HG3 :: 2.3009 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 :: 118.5700 Ave N Shift Values>> N :: 120.68(3.68) D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 D 0.17 L 0.13 K 0.06 N 0.05 I 0.04 HN Overlap>> K14 C Shift Assignments>> CA :: 56.6600 CB :: 40.0926 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 :: 7.6649 HA :: 4.4435 HB2 :: 2.7022 HB3 :: 2.2713 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.2465 Ave N Shift Values>> N :: 120.73(4.2) A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.03 C Shift Assignments>> CA :: 54.9506 CB :: 18.2274 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.6172 HA :: 3.6719 HB :: 1.3933 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.3045 Ave N Shift Values>> N :: 123.23(3.7) E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 K 0.16 I 0.14 Q 0.09 M 0.07 C Shift Assignments>> CA :: 57.9956 CB :: 29.6806 CG :: 36.0403 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 :: 7.4900 HA :: 4.0250 HB2 :: 2.0862 HB3 :: 2.0862 HG2 :: 2.3482 HG3 :: 2.4254 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 :: 115.3200 Ave N Shift Values>> N :: 120.68(3.68) K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.33 M 0.05 G 0.01 C Shift Assignments>> CA :: 55.8446 CB :: 32.7785 CG :: 25.1594 CD :: 29.3103 CE :: 42.2884 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 :: 7.1900 HA :: 4.3166 HB2 :: 2.1055 HB3 :: 1.8855 HG2 :: 1.6802 HG3 :: 1.7000 HD2 :: 1.4872 HD3 :: 1.4872 HE2 :: 3.0407 HE3 :: 3.0407 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 :: 115.6200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.8550 CB :: 36.7340 CG1 :: 27.5037 CG2 :: 17.3997 CD1 :: 12.2600 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 :: 7.3100 HA :: 3.9587 HB :: 1.9630 HG2 :: 0.8826 HG12 :: 1.6966 HG13 :: 0.7500 HD1 :: 0.4184 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.6100 Ave N Shift Values>> N :: 121.6(4.72) A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 L 0.23 M 0.23 K 0.01 C Shift Assignments>> CA :: 52.8011 CB :: 21.5856 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.0700 HA :: 4.8220 HB :: 1.6000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.8100 Ave N Shift Values>> N :: 123.23(3.7) T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 A 0.27 HN Overlap>> G4 C Shift Assignments>> CA :: 58.1844 CB :: 73.5000 CG2 :: 21.2065 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 :: 8.4300 HA :: 5.0110 HB :: 4.2780 HG2 :: 1.0070 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 :: 110.2500 Ave N Shift Values>> N :: 115.7(5.05) V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.6823 CB :: 31.4222 CG1 :: 23.1125 CG2 :: 20.3657 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 :: 7.9468 HA :: 3.2987 HB :: 2.4422 HG1 :: 0.7921 HG2 :: 0.5854 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 :: 120.6196 Ave N Shift Values>> N :: 121.02(4.96) G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.04 P 0.03 A 0.03 N 0.01 C Shift Assignments>> CA :: 47.4230 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.3800 HA2 :: 3.6930 HA3 :: 3.8946 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.7600 Ave N Shift Values>> N :: 109.91(4.29) D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.19 F 0.16 R 0.14 Y 0.12 D 0.08 I 0.02 C Shift Assignments>> CA :: 57.2803 CB :: 41.8680 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 :: 8.2200 HA :: 4.5089 HB2 :: 2.8687 HB3 :: 3.2668 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 :: 122.1100 Ave N Shift Values>> N :: 120.73(4.2) A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.21 I 0.06 C Shift Assignments>> CA :: 55.4620 CB :: 16.7754 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.7817 HA :: 4.0200 HB :: 1.5700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.8589 Ave N Shift Values>> N :: 123.23(3.7) V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> Q78 C Shift Assignments>> CA :: 66.8134 CB :: 31.8068 CG1 :: 23.1962 CG2 :: 20.8322 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 :: 8.3000 HA :: 3.2930 HB :: 2.0770 HG1 :: 0.9200 HG2 :: 0.8955 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 :: 117.1200 Ave N Shift Values>> N :: 121.02(4.96) N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.19 N 0.17 E 0.13 D 0.09 I 0.05 L 0.02 M 0.02 C Shift Assignments>> CA :: 55.9496 CB :: 38.0840 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 :: 8.7100 HA :: 4.3744 HB2 :: 2.7562 HB3 :: 2.8747 HD21 :: 7.5600 HD22 :: 6.8100 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 :: 117.2600 ND2 :: 111.9500 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 62.1013 CB :: 38.1900 CD1 :: 132.3000 CE1 :: 118.2000 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 :: 7.9519 HA :: 4.0052 HB2 :: 3.0828 HB3 :: 3.0828 HD1 :: 6.9200 HD2 :: 6.9200 HE1 :: 6.7300 HE2 :: 6.7300 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 :: 120.2556 Ave N Shift Values>> N :: 120.79(4.69) I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.5374 CB :: 38.1800 CG1 :: 28.8876 CG2 :: 17.4149 CD1 :: 14.0131 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 :: 7.8600 HA :: 3.3770 HB :: 1.5290 HG2 :: 0.1800 HG12 :: 1.5300 HG13 :: 0.8300 HD1 :: 0.2000 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.0300 Ave N Shift Values>> N :: 121.6(4.72) Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 Q 0.27 K 0.27 I 0.06 M 0.04 R 0.03 HN Overlap>> V74 C Shift Assignments>> CA :: 58.0560 CB :: 29.0270 CG :: 34.8047 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 :: 8.3600 HA :: 4.0290 HB2 :: 2.1300 HB3 :: 2.0800 HG2 :: 2.5300 HG3 :: 2.3500 HE21 :: 7.3200 HE22 :: 6.8200 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 :: 117.0800 NE2 :: 110.4100 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.21 Y 0.13 F 0.1 L 0.04 E 0.02 I 0.01 C Shift Assignments>> CA :: 53.9296 CB :: 38.7038 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 :: 7.7704 HA :: 4.6838 HB2 :: 2.7695 HB3 :: 2.7695 HD21 :: 7.5000 HD22 :: 6.8100 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 :: 116.2448 ND2 :: 112.3800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.34 R 0.1 E 0.09 M 0.09 C Shift Assignments>> CA :: 55.3476 CB :: 28.9238 CG :: 33.4702 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 :: 7.5300 HA :: 4.2820 HB2 :: 2.2197 HB3 :: 1.8918 HG2 :: 2.3252 HG3 :: 2.2300 HE21 :: 7.0800 HE22 :: 6.6900 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 :: 118.6100 NE2 :: 113.3500 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 E 0.25 K 0.22 M 0.17 R 0.02 I 0.01 C Shift Assignments>> CA :: 57.3795 CB :: 30.2137 CG :: 34.2900 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 :: 7.6300 HA :: 4.1300 HB2 :: 2.1700 HB3 :: 1.9900 HG2 :: 2.3900 HG3 :: 2.3900 HE21 :: 7.4200 HE22 :: 6.8400 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 :: 125.3500 NE2 :: 111.8800 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 80 #Clerical: 0 #Suspicious: 0 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 81 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 81 #Suspicious: 0 C Shift Results: #Consistent: 259 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 448 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 N Shift Results: #Consistent: 84 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: E54 HG3 = 0.9928(M), Expected = 2.31, Std = 0.2100, ChiSquare = 3.5557e-10