Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.T1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.2700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0950 HA2 :: 4.1100 HA3 :: 4.1100 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.8910 Ave N Shift Values>> N :: 109.67(3.87) 1.R3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.4000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2060 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.3540 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.8000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3690 HA :: 4.9350 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.4530 Ave N Shift Values>> N :: 120.65(3.86) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.1 W 0.09 K 0.09 R 0.08 F 0.08 C 0.08 Y 0.08 H 0.07 Q 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 HN Overlap>> 1.A145 1.V14 1.A145 1.V14 C Shift Assignments>> C :: 176.9000 CA :: 57.3400 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.4680 HA :: 4.2070 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.2460 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.18 D 0.15 A 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> C :: 175.4000 CA :: 53.9300 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.5110 HA :: 4.8000 HB2 :: 2.9170 HB3 :: 2.9170 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.0650 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.1 Q 0.09 K 0.09 H 0.09 E 0.08 M 0.08 W 0.07 C 0.06 F 0.06 L 0.06 Y 0.06 S 0.03 D 0.03 HN Overlap>> 1.D58 1.D58 C Shift Assignments>> C :: 176.2000 CA :: 56.7500 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.2000 HA :: 4.2990 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.9130 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 T 0.22 I 0.18 P 0.13 S 0.08 C 0.05 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 175.6000 CA :: 62.4300 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0350 HA :: 4.2500 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.5930 Ave N Shift Values>> N :: 121.14(4.54) 1.E9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.K164 1.K164 C Shift Assignments>> C :: 176.4000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4130 HA :: 4.2370 HB2 :: 2.1300 HB3 :: 2.1300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.9350 Ave N Shift Values>> N :: 120.67(3.48) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 HN Overlap>> 1.S101 1.S101 C Shift Assignments>> CA :: 45.5000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2360 HA2 :: 4.1590 HA3 :: 4.1590 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8000 Ave N Shift Values>> N :: 109.67(3.87) 1.E11 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent C Shift Assignments>> C :: 175.8000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 10.6080(S) HB2 :: 2.1460 HB3 :: 2.1460 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.6930 Ave N Shift Values>> N :: 120.67(3.48) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.29 L 0.07 C Shift Assignments>> C :: 174.8000 CA :: 60.6200 CG1 :: 23.0000 CG2 :: 22.6500 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1220 HA :: 5.2400 HB :: 2.2490 HG11 :: 1.1220 HG12 :: 1.1220 HG13 :: 1.1220 HG21 :: 1.0700 HG22 :: 1.0700 HG23 :: 1.0700 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.3510 Ave N Shift Values>> N :: 121.14(4.54) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.2 A 0.16 D 0.15 L 0.09 M 0.06 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.01 C Shift Assignments>> C :: 173.9000 CA :: 53.8210 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.1390 HA :: 4.9690 HB2 :: 1.9800 HB3 :: 1.9800 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.1740 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 HN Overlap>> 1.A145 1.A145 1.K5 1.K5 C Shift Assignments>> C :: 176.1000 CA :: 63.4000 CB :: 32.7000 CG1 :: 21.7000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5610 HA :: 4.5950 HB :: 1.9900 HG11 :: 1.0060 HG12 :: 1.0060 HG13 :: 1.0060 HG21 :: 0.9150 HG22 :: 0.9150 HG23 :: 0.9150 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.1850 Ave N Shift Values>> N :: 121.14(4.54) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.34 L 0.01 C Shift Assignments>> C :: 174.0000 CA :: 59.5000 CG1 :: 22.6560 CG2 :: 19.8000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.9990 HA :: 4.9410 HB :: 1.7160 HG11 :: 0.8500 HG12 :: 0.8500 HG13 :: 0.8500 HG21 :: 0.1990 HG22 :: 0.1990 HG23 :: 0.1990 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.4380 Ave N Shift Values>> N :: 121.14(4.54) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.53 T 0.46 C Shift Assignments>> C :: 174.6000 CA :: 57.5450 CB :: 67.1600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8480 HA :: 5.2790 HB2 :: 3.8800 HB3 :: 3.8800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.3140 Ave N Shift Values>> N :: 116.28(3.52) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 C 0.37 C Shift Assignments>> CA :: 59.9700 CB :: 71.3000 CG2 :: 22.8000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.9240 HA :: 4.9800 HB :: 4.8800 HG21 :: 1.4400 HG22 :: 1.4400 HG23 :: 1.4400 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.1810 Ave N Shift Values>> N :: 115.42(4.75) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.52 M 0.32 C 0.06 I 0.02 L 0.02 V 0.02 C Shift Assignments>> C :: 179.3000 CA :: 55.3800 CB :: 19.4000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.2870 HB1 :: 1.6700 HB2 :: 1.6700 HB3 :: 1.6700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 175.2000 CA :: 61.7000 CB :: 71.2500 CG2 :: 22.5000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.8730 HA :: 4.6870 HB :: 4.4500 HG21 :: 1.2690 HG22 :: 1.2690 HG23 :: 1.2690 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 102.1570 Ave N Shift Values>> N :: 115.42(4.75) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 M 0.26 Q 0.03 E 0.03 C Shift Assignments>> C :: 173.9800 CA :: 55.4800 CB :: 34.3000 CG :: 34.5000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7210 HA :: 5.0830 HB2 :: 2.3700 HB3 :: 2.2400 HG2 :: 2.5400 HG3 :: 2.5400 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.1050 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> CA :: 57.6000 CB :: 65.8000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2430 HA :: 5.2900 HB2 :: 3.8100 HB3 :: 3.8800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.9920 Ave N Shift Values>> N :: 116.28(3.52) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.1 Q 0.1 H 0.09 K 0.09 M 0.08 E 0.08 W 0.07 C 0.06 L 0.06 F 0.06 Y 0.06 S 0.03 D 0.03 C Shift Assignments>> C :: 172.6000 CA :: 56.7000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.6250 HA :: 5.4910 HB2 :: 3.8170 HB3 :: 3.8170 HD1 :: 7.1200 HD2 :: 7.1200 HE1 :: 7.1600 HE2 :: 7.1600 HZ :: 6.5820 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.3000 Ave N Shift Values>> N :: 120.45(4.18) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.54 C 0.43 A 0.01 C Shift Assignments>> C :: 175.8000 CA :: 54.1000 CG :: 24.5000 CD1 :: 25.4000 CD2 :: 24.6000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 5.7680 HB2 :: 1.2870 HB3 :: 1.9800 HG :: 0.9400 HD11 :: 0.9010 HD12 :: 0.9010 HD13 :: 0.9010 HD21 :: 0.9060 HD22 :: 0.9060 HD23 :: 0.9060 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.17 K 0.1 A 0.09 P 0.02 C Shift Assignments>> CA :: 51.3600 CB :: 23.8000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0380 HA :: 5.4610 HB1 :: 1.3210 HB2 :: 1.3210 HB3 :: 1.3210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2800 Ave N Shift Values>> N :: 123.23(3.54) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.3 C Shift Assignments>> CA :: 63.0000 CB :: 72.0000 CG2 :: 23.1600 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.1700 HA :: 5.2310 HB :: 3.8600 HG21 :: 1.1120 HG22 :: 1.1120 HG23 :: 1.1120 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.4440 Ave N Shift Values>> N :: 115.42(4.75) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.1 K 0.09 W 0.09 R 0.08 C 0.08 F 0.08 H 0.08 Q 0.07 Y 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 HN Overlap>> 1.A143 1.A143 C Shift Assignments>> CA :: 57.2600 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.5080 HA :: 5.2700 HB2 :: 3.2400 HB3 :: 3.4300 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 129.4820 Ave N Shift Values>> N :: 120.17(4.64) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.58 C 0.41 C Shift Assignments>> CA :: 61.2000 CB :: 34.3000 CG1 :: 21.2800 CG2 :: 21.2800 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 4.7500 HB :: 2.3300 HG11 :: 0.8840 HG12 :: 0.8840 HG13 :: 0.8840 HG21 :: 0.8700 HG22 :: 0.8700 HG23 :: 0.8700 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.13 Y 0.12 D 0.12 F 0.1 L 0.03 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 175.2000 CA :: 54.2900 CB :: 38.2700 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.2480 HA :: 4.6640 HB2 :: 2.6200 HB3 :: 3.5200 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 128.2370 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 172.9000 CA :: 46.6000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2730 HA2 :: 4.1600 HA3 :: 3.5100 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.2600 Ave N Shift Values>> N :: 109.67(3.87) 1.V30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.5 C 0.48 C Shift Assignments>> C :: 173.9000 CA :: 61.8000 CB :: 35.4000 CG1 :: 21.0000 CG2 :: 22.6000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.7550 HA :: 4.1150 HB :: 1.9900 HG11 :: -0.2700(S) HG12 :: -0.2700(S) HG13 :: -0.2700(S) HG21 :: 0.9460 HG22 :: 0.9460 HG23 :: 0.9460 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.4850 Ave N Shift Values>> N :: 121.14(4.54) 1.C31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 171.9000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5420 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.6000 Ave N Shift Values>> N :: 120.17(4.64) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.2 Q 0.19 K 0.14 E 0.11 H 0.02 R 0.02 Y 0.01 W 0.01 V 0.01 C Shift Assignments>> C :: 175.4000 CA :: 55.8000 CB :: 34.7000 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.6460 HA :: 5.4700 HB2 :: 3.0000 HB3 :: 3.3900 HE1 :: 10.3330 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.6090 NE1 :: 130.2190 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 173.4000 CA :: 60.4000 CB :: 69.9000 CG2 :: 20.0330 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.7310 HA :: 4.8750 HB :: 4.4300 HG21 :: 1.4600 HG22 :: 1.4600 HG23 :: 1.4600 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.6940 Ave N Shift Values>> N :: 115.42(4.75) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 V 0.02 A 0.02 C Shift Assignments>> C :: 178.0000 CA :: 57.9000 CB :: 32.4000 CG1 :: 22.6000 CG2 :: 17.0400 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4750 HA :: 5.4400 HB :: 1.7050 HG11 :: 1.1600 HG12 :: 1.1600 HG13 :: 1.1600 HG21 :: 0.1140 HG22 :: 0.1140 HG23 :: 0.1140 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.1620 Ave N Shift Values>> N :: 121.14(4.54) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 179.0000 CA :: 60.9400 CB :: 37.9000 CD1 :: 133.2000 CD2 :: 133.2000 CE1 :: 118.2000 CE2 :: 119.6000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.2560 HA :: 3.8100 HB2 :: 3.2800 HB3 :: 2.8000 HD1 :: 6.9800 HD2 :: 6.9800 HE1 :: 7.0300 HE2 :: 7.0320 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.6600 Ave N Shift Values>> N :: 120.52(4.2) 1.H36 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Anomalous PRTL>> C 0.48 H 0.32 W 0.18 C Shift Assignments>> C :: 175.1000 CA :: 59.1500 CB :: 28.9000 CD2 :: 116.8000 CE1 :: 136.8000 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.4520 HA :: 3.8540 HB2 :: 3.0770 HB3 :: 1.6450(S) HD1 :: 12.7000 HD2 :: 6.7500 HE1 :: 8.0770 HE2 :: 16.9200(A) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.5930 ND1 :: 239.2000(A) NE2 :: 172.6000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 172.3000 CA :: 45.6000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.0860(S) HA2 :: 3.4270 HA3 :: 1.7800(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.8030 Ave N Shift Values>> N :: 109.67(3.87) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 A 0.3 C 0.12 K 0.02 V 0.01 C Shift Assignments>> C :: 177.7000 CA :: 53.6220 CB :: 22.2000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4900 HA :: 4.2280 HB1 :: 1.4490 HB2 :: 1.4490 HB3 :: 1.4490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9540 Ave N Shift Values>> N :: 123.23(3.54) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> CA :: 46.8000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6240 HA2 :: 4.0000 HA3 :: 4.0000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3950 Ave N Shift Values>> N :: 109.67(3.87) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.2000 CA :: 59.6000 CB :: 63.8000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.3600 HB2 :: 4.1200 HB3 :: 4.1200 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 D 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 K 0.06 N 0.05 C 0.05 W 0.05 E 0.04 A 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 176.3000 CA :: 55.2000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9080 HA :: 4.6400 HB2 :: 1.7500 HB3 :: 2.0740 HG2 :: 1.5200 HG3 :: 1.4600 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.7620 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.5000 CA :: 63.4000 CB :: 69.5000 CG2 :: 22.0000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0910 HA :: 4.3000 HB :: 4.1400 HG21 :: 1.2700 HG22 :: 1.2700 HG23 :: 1.2700 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.5830 Ave N Shift Values>> N :: 115.42(4.75) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.48 C 0.38 L 0.13 C Shift Assignments>> CA :: 53.9000 CB :: 46.7000 CD1 :: 25.6000 CD2 :: 26.3000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 4.6600 HB2 :: 1.0900 HB3 :: 1.4910 HD11 :: 0.6850 HD12 :: 0.6850 HD13 :: 0.6850 HD21 :: 0.5600 HD22 :: 0.5600 HD23 :: 0.5600 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 L 0.33 C 0.1 K 0.01 HN Overlap>> 1.R96 1.R96 C Shift Assignments>> C :: 176.6000 CA :: 51.6700 CB :: 22.2380 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9000 HA :: 4.6200 HB1 :: 1.3060 HB2 :: 1.3060 HB3 :: 1.3060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.0000 Ave N Shift Values>> N :: 123.23(3.54) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.5000 CA :: 44.7600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9420 HA2 :: 4.0100 HA3 :: 4.7500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.8150 Ave N Shift Values>> N :: 109.67(3.87) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 178.0000 CA :: 65.1000 CB :: 32.9000 CG :: 27.9000 CD :: 51.6000 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4400 HB2 :: 2.0180 HB3 :: 2.5400 HG2 :: 2.2400 HG3 :: 2.1800 HD2 :: 3.8200 HD3 :: 3.8200 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K47 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 R 0.32 G 0.02 C Shift Assignments>> C :: 176.5000 CA :: 54.9000 CB :: 32.7000 CG :: 25.4000 CD :: 42.4000(A) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.7070 HA :: 4.6500 HB2 :: 1.7900 HB3 :: 2.1200 HG2 :: 1.4400 HG3 :: 1.5400 HD2 :: 3.0800(S) HD3 :: 3.0800(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.6120 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.27 R 0.18 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 171.6000 CA :: 44.3000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6370 HA2 :: 4.6710 HA3 :: 3.8900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9220 Ave N Shift Values>> N :: 109.67(3.87) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.0000 CA :: 63.2550 CB :: 32.8000 CG :: 27.5000 CD :: 50.3600 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.6290 HB2 :: 1.8730 HB3 :: 2.3250 HG2 :: 2.1790 HG3 :: 2.0860 HD2 :: 3.6900 HD3 :: 3.6900 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 M 0.01 C Shift Assignments>> CA :: 60.9600 CD1 :: 13.8000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.3520 HA :: 3.8030 HB :: 1.1600 HG12 :: 0.8600 HG13 :: 0.8600 HD11 :: 0.3000 HD12 :: 0.3000 HD13 :: 0.3000 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.7070 Ave N Shift Values>> N :: 121.46(4.28) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.7700 CB :: 69.8000 CG2 :: 21.5000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.3100 HB :: 4.0240 HG21 :: 1.2010 HG22 :: 1.2010 HG23 :: 1.2010 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.Q52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.0000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.22 K 0.18 F 0.08 R 0.07 Y 0.06 C 0.04 N 0.03 C Shift Assignments>> C :: 175.9000 CA :: 54.9500 CB :: 41.9400 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.3190 HA :: 5.6000 HB2 :: 2.5660 HB3 :: 3.2500 HD1 :: 6.7200 HD2 :: 6.7200 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.7590 Ave N Shift Values>> N :: 120.52(4.2) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.31 HN Overlap>> 1.R88 1.R88 C Shift Assignments>> C :: 173.6000 CA :: 62.5000 CB :: 72.7000 CG2 :: 22.5200 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.0090 HA :: 5.2100 HB :: 4.1900 HG21 :: 1.4600 HG22 :: 1.4600 HG23 :: 1.4600 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.1160 Ave N Shift Values>> N :: 115.42(4.75) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.2 C 0.07 F 0.05 L 0.05 Y 0.04 C Shift Assignments>> CA :: 52.2000 CB :: 39.1500 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.3610 HA :: 4.9610 HB2 :: 2.8920 HB3 :: 2.9090 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.5580 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.7000 CA :: 67.4700 CB :: 31.8000 CG1 :: 21.2000 CG2 :: 21.9000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 3.2000 HB :: 1.9310 HG11 :: 0.8580 HG12 :: 0.8580 HG13 :: 0.8580 HG21 :: 0.6430 HG22 :: 0.6430 HG23 :: 0.6430 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.19 Y 0.18 L 0.14 C 0.09 D 0.08 I 0.04 R 0.02 HN Overlap>> 1.Q7 1.Q7 C Shift Assignments>> C :: 178.4000 CA :: 57.8000 CB :: 41.2500 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2000 HA :: 4.5610 HB2 :: 2.8300 HB3 :: 2.9090 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.9130 Ave N Shift Values>> N :: 120.65(3.86) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.28 C 0.21 M 0.08 R 0.03 E 0.03 C Shift Assignments>> C :: 175.4000 CA :: 54.6000 CB :: 29.3700 CG :: 33.5000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.2930 HA :: 4.4300 HB2 :: 1.4100 HB3 :: 2.5050 HG2 :: 2.3630 HG3 :: 2.3630 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.9300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 C 0.14 Y 0.13 F 0.11 D 0.11 E 0.03 L 0.03 M 0.02 I 0.01 C Shift Assignments>> CA :: 54.5000 CB :: 38.1930 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4340 HA :: 4.2800 HB2 :: 2.9170 HB3 :: 2.9170 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.2630 Ave N Shift Values>> N :: 120.65(3.86) 1.L61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.92 L 0.03 A 0.02 G 0.01 C Shift Assignments>> C :: 176.7000 CA :: 54.2000 CB :: 49.1800(S) CD1 :: 24.8720 CD2 :: 24.9000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 5.7630 HB2 :: 1.9070 HB3 :: 1.5260 HD11 :: 0.5960 HD12 :: 0.5960 HD13 :: 0.5960 HD21 :: 0.9800 HD22 :: 0.9800 HD23 :: 0.9800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.37 I 0.07 HN Overlap>> 1.A129 1.A129 C Shift Assignments>> C :: 174.5000 CA :: 61.2000 CG1 :: 22.6000 CG2 :: 17.8000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.9020 HA :: 5.4600 HB :: 1.7600 HG11 :: 1.1740 HG12 :: 1.1740 HG13 :: 1.1740 HG21 :: 0.8670 HG22 :: 0.8670 HG23 :: 0.8670 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.9670 Ave N Shift Values>> N :: 121.14(4.54) 1.G63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.1000 CA :: 46.4900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.3510 HA2 :: 2.9240 HA3 :: 5.2940(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.2220 Ave N Shift Values>> N :: 109.67(3.87) 1.W64 Overall: Suspicious Typing: Suspicious SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.K144 1.K144 C Shift Assignments>> CB :: 31.8600 CD1 :: 127.1000 CE3 :: 121.0000 CZ2 :: 122.6000(S) CZ3 :: 118.8000 CH2 :: 113.9000(S) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.5350 HA :: 4.6350 HB2 :: 3.6100 HB3 :: 3.1100 HD1 :: 6.9110 HE1 :: 10.4870 HE3 :: 7.4800 HZ2 :: 6.5400 HZ3 :: 6.6520 HH2 :: 6.9900 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.1110 NE1 :: 131.1130 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (CH2 > CZ2 : 0.9900) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.15 E 0.14 C 0.13 Q 0.12 H 0.12 K 0.12 R 0.11 M 0.03 I 0.03 C Shift Assignments>> CA :: 57.8000 CB :: 29.5500 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> HA :: 4.1300 HB2 :: 2.2300 HB3 :: 2.2300 HG2 :: 2.6610 HG3 :: 2.6610 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.06 C 0.01 C Shift Assignments>> C :: 175.0000 CA :: 51.1300 CB :: 18.9010 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2970 HA :: 4.5920 HB1 :: 1.3080 HB2 :: 1.3080 HB3 :: 1.3080 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.2680 Ave N Shift Values>> N :: 123.23(3.54) 1.P67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> C :: 178.6000 CA :: 64.2400 CB :: 31.7800 CG :: 28.1000 CD :: 50.7600 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4300 HB2 :: 1.9900 HB3 :: 2.4070 HG2 :: 2.7170 HG3 :: 2.1720 HD2 :: 3.7000 HD3 :: 3.9580 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.5000 CA :: 45.4300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.1930 HA3 :: 3.7850 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.05 L 0.03 C 0.03 C Shift Assignments>> CA :: 52.8700 CB :: 20.1800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4980 HA :: 4.2900 HB1 :: 1.4400 HB2 :: 1.4400 HB3 :: 1.4400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.0880 Ave N Shift Values>> N :: 123.23(3.54) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.09 K 0.08 R 0.07 H 0.07 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 C Shift Assignments>> CA :: 57.6000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.4750 HA :: 4.3130 HB2 :: 1.5500 HB3 :: 1.9300 HG2 :: 1.7600 HG3 :: 1.7600 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.2140 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.82 T 0.17 C Shift Assignments>> CA :: 57.4300 CB :: 66.6000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2250 HA :: 4.6600 HB2 :: 3.7670 HB3 :: 3.7670 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.2910 Ave N Shift Values>> N :: 116.28(3.52) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.63 K 0.35 C Shift Assignments>> C :: 176.6000 CD1 :: 27.2000 CD2 :: 23.7700 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 5.0500 HB2 :: 1.9890 HB3 :: 1.9890 HG :: 1.7400 HD11 :: 0.9200 HD12 :: 0.9200 HD13 :: 0.9200 HD21 :: 1.1910 HD22 :: 1.1910 HD23 :: 1.1910 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 173.1000 CA :: 60.1500 CB :: 71.3000 CG2 :: 21.3000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.3890 HA :: 4.9830 HB :: 4.2170 HG21 :: 1.3400 HG22 :: 1.3400 HG23 :: 1.3400 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.8120 Ave N Shift Values>> N :: 115.42(4.75) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.23 V 0.2 T 0.17 S 0.17 I 0.13 C 0.03 F 0.01 Y 0.01 C Shift Assignments>> C :: 175.2000 CA :: 63.2000 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.7350 HB2 :: 1.8860 HB3 :: 2.2610 HD2 :: 3.6930 HD3 :: 3.9630 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.C76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.15 R 0.13 P 0.12 M 0.1 H 0.1 W 0.09 V 0.08 E 0.07 K 0.07 Q 0.04 C Shift Assignments>> CB :: 31.3520 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HB2 :: 3.1570 HB3 :: 3.2260 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.T77 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.2000 CA :: 46.9000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0830 HA2 :: 3.9500 HA3 :: 3.9600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.9000 CA :: 59.4900 CB :: 63.8000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8440 HA :: 4.3950 HB2 :: 4.1630 HB3 :: 4.1630 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.7180 Ave N Shift Values>> N :: 116.28(3.52) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.5000 CA :: 59.4400 CB :: 64.4000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4260 HA :: 4.6730 HB2 :: 4.1160 HB3 :: 4.1160 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.3010 Ave N Shift Values>> N :: 116.28(3.52) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.24 K 0.16 F 0.1 Y 0.07 C 0.05 N 0.05 R 0.03 C Shift Assignments>> C :: 172.8000 CA :: 55.0070 CB :: 41.5000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1920 HA :: 4.9240 HB2 :: 2.7010 HB3 :: 2.6600 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.1040 Ave N Shift Values>> N :: 120.65(3.86) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.19 L 0.15 A 0.02 C Shift Assignments>> C :: 176.6000 CA :: 52.0000 CB :: 46.6300 CG :: 26.6000 CD1 :: 26.7000 CD2 :: 24.4000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2390 HA :: 5.2000 HB2 :: 1.0020 HB3 :: 1.4280 HG :: 1.4870 HD11 :: 0.5100 HD12 :: 0.5100 HD13 :: 0.5100 HD21 :: 0.7720 HD22 :: 0.7720 HD23 :: 0.7720 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.0560 Ave N Shift Values>> N :: 121.86(3.9) 1.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.21 Y 0.16 L 0.15 C 0.08 D 0.08 I 0.03 R 0.03 C Shift Assignments>> C :: 174.5000 CA :: 57.7000 CB :: 41.4000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.1080 HA :: 4.8760 HB2 :: 2.4700 HB3 :: 2.6310 HD1 :: 6.6830 HD2 :: 6.6830 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.2050 Ave N Shift Values>> N :: 120.52(4.2) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.32 C 0.19 R 0.03 C Shift Assignments>> C :: 175.3000 CA :: 54.2000 CB :: 44.9000 CG :: 27.5000 CD1 :: 24.4400 CD2 :: 25.9250 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.2070 HA :: 5.0940 HB2 :: 1.0000 HB3 :: 1.7600 HG :: 1.2260 HD11 :: 0.4780 HD12 :: 0.4780 HD13 :: 0.4780 HD21 :: 0.2180 HD22 :: 0.2180 HD23 :: 0.2180 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.8400 Ave N Shift Values>> N :: 121.86(3.9) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 T 0.44 C 0.07 C Shift Assignments>> C :: 174.6000 CA :: 62.0000 CG1 :: 22.4000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9030 HA :: 4.8540 HB :: 1.9740 HG11 :: 0.9500 HG12 :: 0.9500 HG13 :: 0.9500 HG21 :: 0.8800 HG22 :: 0.8800 HG23 :: 0.8800 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.7600 Ave N Shift Values>> N :: 121.14(4.54) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 C 0.45 C Shift Assignments>> C :: 176.8000 CA :: 60.0400 CB :: 72.5220 CG2 :: 22.3220 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9390 HA :: 4.7500 HB :: 4.7400 HG21 :: 1.2720 HG22 :: 1.2720 HG23 :: 1.2720 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.4440 Ave N Shift Values>> N :: 115.42(4.75) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.43 K 0.09 HN Overlap>> 1.T55 1.T55 C Shift Assignments>> CA :: 57.8300 CB :: 29.4900 CG :: 27.7000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.0090 HA :: 4.1250 HB2 :: 1.5000 HB3 :: 1.9000 HG2 :: 1.8600 HG3 :: 1.8600 HD2 :: 3.0800 HD3 :: 3.0800 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.1160 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.48 C 0.35 W 0.16 C Shift Assignments>> C :: 175.0000 CA :: 55.0520 CB :: 30.4700 CD2 :: 116.8000 CE1 :: 138.1000 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.1600 HA :: 4.6580 HB2 :: 2.8770 HB3 :: 3.4500 HD2 :: 6.6700 HE1 :: 7.6900 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.2500 ND1 :: 226.0000 NE2 :: 171.0000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.46 C 0.01 I 0.01 C Shift Assignments>> C :: 175.4000 CA :: 53.7600 CB :: 17.3100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4750 HA :: 3.7340 HB1 :: 1.6090 HB2 :: 1.6090 HB3 :: 1.6090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.2940 Ave N Shift Values>> N :: 123.23(3.54) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.24 R 0.14 K 0.12 F 0.05 C 0.04 Y 0.03 N 0.03 G 0.01 C Shift Assignments>> CA :: 53.9000 CB :: 42.4600 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.2190 HA :: 4.8900 HB2 :: 2.7400 HB3 :: 2.7400 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.4700 Ave N Shift Values>> N :: 120.65(3.86) 1.V92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.3220 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.I93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD11 :: 0.9180 HD12 :: 0.9180 HD13 :: 0.9180 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.0000 CA :: 63.6000 CB :: 33.0920 CG :: 27.7700 CD :: 49.9800 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.6900 HB2 :: 2.3170 HB3 :: 2.0150 HG2 :: 2.0890 HG3 :: 2.1660 HD2 :: 3.8460 HD3 :: 3.8460 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.17 C Shift Assignments>> C :: 174.0000 CA :: 60.1700 CB :: 36.9000 CG1 :: 22.2690 CG2 :: 22.4000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5610 HA :: 4.6390 HB :: 1.4260 HG11 :: 0.5700 HG12 :: 0.5700 HG13 :: 0.5700 HG21 :: 0.7300 HG22 :: 0.7300 HG23 :: 0.7300 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.7260 Ave N Shift Values>> N :: 121.14(4.54) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 C 0.28 G 0.07 K 0.06 HN Overlap>> 1.A44 1.A44 C Shift Assignments>> C :: 176.4000 CA :: 53.4400 CB :: 31.6000 CG :: 27.0400 CD :: 43.1000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.8870 HA :: 5.2400 HB2 :: 1.7900 HB3 :: 1.9310 HG2 :: 1.7110 HG3 :: 1.7110 HD2 :: 3.3040 HD3 :: 3.3040 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.0910 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.42 R 0.04 C Shift Assignments>> C :: 175.7000 CA :: 59.9500 CB :: 32.7700 CD :: 44.8700 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.5880 HA :: 4.1940 HB2 :: 1.7700 HB3 :: 2.1500 HG2 :: 1.8350 HG3 :: 1.8350 HD2 :: 3.5000 HD3 :: 3.2740 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 129.8700 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.33 K 0.13 G 0.06 C Shift Assignments>> C :: 175.2000 CA :: 54.7300 CB :: 32.2000 CG :: 26.5000 CD :: 43.1700 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.1360 HA :: 4.7900 HB2 :: 1.6190 HB3 :: 2.0500 HG2 :: 1.8450 HG3 :: 1.8450 HD2 :: 3.2900 HD3 :: 3.2900 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.3330 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.3000 CA :: 44.9500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2050 HA2 :: 4.1500 HA3 :: 4.2810 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.8080 Ave N Shift Values>> N :: 109.67(3.87) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.21 K 0.19 Y 0.17 L 0.15 D 0.09 C 0.08 I 0.03 R 0.02 C Shift Assignments>> C :: 177.0000 CA :: 57.5000 CB :: 41.3000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3000 HA :: 4.4900 HB2 :: 2.7500 HB3 :: 2.7500 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G10 1.G10 C Shift Assignments>> C :: 172.7000 CA :: 56.7000 CB :: 65.3000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1770 HA :: 3.7000 HB2 :: 3.5100 HB3 :: 4.5070 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 108.7940 Ave N Shift Values>> N :: 116.28(3.52) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.32 R 0.07 G 0.06 C Shift Assignments>> C :: 176.4000 CA :: 53.2100 CB :: 34.9800 CD :: 42.5000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 6.5930 HA :: 5.6460 HB2 :: 1.6500 HB3 :: 1.7500 HG2 :: 1.5800 HG3 :: 1.5800 HD2 :: 3.4030 HD3 :: 3.2160 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.1780 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.0000 CA :: 45.7600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0140 HA2 :: 5.0450 HA3 :: 3.3700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7360 Ave N Shift Values>> N :: 109.67(3.87) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8000 CA :: 58.6800 CB :: 64.5370 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.5600 HA :: 4.7900 HB2 :: 4.0900 HB3 :: 3.9680 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.6890 Ave N Shift Values>> N :: 116.28(3.52) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.28 R 0.26 K 0.01 C Shift Assignments>> C :: 177.5000 CA :: 55.7800 CB :: 41.9700 CG :: 28.9280 CD1 :: 24.8700 CD2 :: 25.8980 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1800 HA :: 4.4670 HB2 :: 1.4060 HB3 :: 1.6200 HG :: 1.4200 HD11 :: 0.8500 HD12 :: 0.8500 HD13 :: 0.8500 HD21 :: 0.7890 HD22 :: 0.7890 HD23 :: 0.7890 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.7850 Ave N Shift Values>> N :: 121.86(3.9) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.37 R 0.02 C Shift Assignments>> C :: 178.0000 CA :: 57.7400 CB :: 41.1090 CG :: 28.6400 CD1 :: 24.9500 CD2 :: 23.6950 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1450 HA :: 4.2160 HB2 :: 1.7100 HB3 :: 1.7680 HG :: 1.6870 HD11 :: 0.9510 HD12 :: 0.9510 HD13 :: 0.9510 HD21 :: 0.9100 HD22 :: 0.9100 HD23 :: 0.9100 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.0070 Ave N Shift Values>> N :: 121.86(3.9) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.5000 CA :: 55.2000 CB :: 64.2200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5830 HA :: 4.9790 HB2 :: 3.8090 HB3 :: 3.9070 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.5090 Ave N Shift Values>> N :: 116.28(3.52) 1.P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 176.4000 CA :: 63.8000 CB :: 33.3000 CG :: 27.9000 CD :: 51.7000 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.6320 HB2 :: 2.3160 HB3 :: 1.8350 HG2 :: 2.1740 HG3 :: 2.1740 HD2 :: 3.8230 HD3 :: 4.3950 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.21 G 0.17 R 0.15 C 0.05 N 0.03 K 0.03 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.7000 CD :: 43.1600 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9000 HA :: 5.1180 HB2 :: 1.8350 HB3 :: 1.6160 HG2 :: 1.4060 HG3 :: 1.4060 HD2 :: 3.1660 HD3 :: 2.8140 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.3990 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.41 P 0.4 C 0.13 W 0.01 C Shift Assignments>> C :: 178.4000 CA :: 63.4800 CB :: 32.3500 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.8760 HB2 :: 2.1790 HB3 :: 2.6560 HD2 :: 4.4100 HD3 :: 4.4100 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 177.6000 CA :: 67.1000 CB :: 32.3410 CG1 :: 20.8530 CG2 :: 24.6660 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5030 HA :: 3.7450 HB :: 2.1350 HG11 :: 1.1670 HG12 :: 1.1670 HG13 :: 1.1670 HG21 :: 1.1860 HG22 :: 1.1860 HG23 :: 1.1860 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.7660 Ave N Shift Values>> N :: 121.14(4.54) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.3000 CA :: 61.2560 CB :: 62.6830 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5630 HA :: 4.2010 HB2 :: 4.1200 HB3 :: 4.1200 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.1270 Ave N Shift Values>> N :: 116.28(3.52) 1.Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 F 0.23 Y 0.22 C 0.15 C Shift Assignments>> C :: 177.0000 CA :: 60.9900 CB :: 39.7000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.8130 HA :: 4.5680 HB2 :: 3.3800 HB3 :: 3.1660 HD1 :: 7.0530 HD2 :: 7.1500 HE1 :: 6.7280 HE2 :: 6.7280 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.6680 Ave N Shift Values>> N :: 120.52(4.2) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.41 A 0.05 C Shift Assignments>> C :: 176.2000 CA :: 55.7520 CG :: 25.1000 CD1 :: 26.6250 CD2 :: 22.8260 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.5530 HA :: 4.3700 HB2 :: 2.0280 HB3 :: 2.0280 HG :: 1.6400 HD11 :: 0.9290 HD12 :: 0.9290 HD13 :: 0.9290 HD21 :: 0.8600 HD22 :: 0.8600 HD23 :: 0.8600 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.0300 Ave N Shift Values>> N :: 121.86(3.9) 1.K115 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 R 0.06 G 0.01 C Shift Assignments>> CA :: 57.6000 CB :: 33.0810 CG :: 30.0000(S) CE :: 42.1600 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.4740 HA :: 4.6090 HB2 :: 1.9790 HB3 :: 1.9790 HG2 :: 1.7990 HG3 :: 1.7990 HD2 :: 1.6300 HD3 :: 1.6300 HE2 :: 3.1000 HE3 :: 3.1000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.9000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 175.8000 CA :: 45.9600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.6090 HA2 :: 4.7200 HA3 :: 4.4700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.9540 Ave N Shift Values>> N :: 109.67(3.87) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1000 CA :: 59.9200 CB :: 63.9000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3150 HA :: 5.0130 HB2 :: 4.6020 HB3 :: 4.6020 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.0170 Ave N Shift Values>> N :: 116.28(3.52) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.9000 CA :: 60.9000 CB :: 64.4000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.2180 HA :: 3.8440 HB2 :: 3.7400 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.4380 Ave N Shift Values>> N :: 116.28(3.52) 1.G119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.0000 CA :: 45.6300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.4100 HA2 :: 3.4800 HA3 :: 5.6100(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.1450 Ave N Shift Values>> N :: 109.67(3.87) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.25 R 0.15 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.4000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5180 HA2 :: 4.0480 HA3 :: 4.0480 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.3410 Ave N Shift Values>> N :: 109.67(3.87) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.6000 CA :: 63.4000 CD :: 51.0600 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.0630 HG2 :: 1.9200 HG3 :: 1.9200 HD2 :: 3.5350 HD3 :: 3.9790 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.33 K 0.07 L 0.04 G 0.02 C Shift Assignments>> C :: 175.9000 CA :: 54.6000 CB :: 42.4570 CG :: 29.8000 CD1 :: 25.4200 CD2 :: 26.7000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8410 HA :: 5.2080 HB2 :: 0.9450 HB3 :: 0.8600 HG :: 1.1740 HD11 :: 0.5130 HD12 :: 0.5130 HD13 :: 0.5130 HD21 :: 0.3430 HD22 :: 0.3430 HD23 :: 0.3430 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.9640 Ave N Shift Values>> N :: 121.86(3.9) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.17 L 0.09 HN Overlap>> 1.V130 1.V130 C Shift Assignments>> CA :: 52.7000 CB :: 45.9300 CD1 :: 27.1000 CD2 :: 24.9000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.4670 HA :: 5.7420 HB2 :: 1.7920 HB3 :: 1.6740 HD11 :: 0.8580 HD12 :: 0.8580 HD13 :: 0.8580 HD21 :: 0.9040 HD22 :: 0.9040 HD23 :: 0.9040 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.3720 Ave N Shift Values>> N :: 121.86(3.9) 1.C124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.14 H 0.13 E 0.13 W 0.13 C 0.11 R 0.11 M 0.03 I 0.01 C Shift Assignments>> CA :: 56.5700 CB :: 29.3500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5020 HA :: 5.5180 HB2 :: 3.6240 HB3 :: 3.0300 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.3400 Ave N Shift Values>> N :: 120.17(4.64) 1.P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.3 T 0.2 S 0.19 I 0.14 P 0.11 C 0.02 C Shift Assignments>> C :: 178.1000 CA :: 65.9300 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.3930 HB2 :: 2.6760 HB3 :: 2.1110 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.3000 CA :: 59.1500 CB :: 63.4810 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1520 HA :: 4.5290 HB2 :: 3.6380 HB3 :: 3.2020 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.0180 Ave N Shift Values>> N :: 116.28(3.52) 1.G127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.5300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6780 HA2 :: 4.1210 HA3 :: 4.1210 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.8610 Ave N Shift Values>> N :: 109.67(3.87) 1.H128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.46 C 0.4 W 0.12 C Shift Assignments>> C :: 176.1000 CA :: 54.0010 CB :: 32.5340 CD2 :: 117.1000 CE1 :: 137.6000 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.8840 HA :: 5.2390 HB2 :: 3.2240 HB3 :: 3.8470 HD2 :: 6.9800 HE1 :: 7.8000 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> ND1 :: 222.0000 NE2 :: 169.0000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 L 0.04 M 0.04 C 0.03 HN Overlap>> 1.V62 1.V62 C Shift Assignments>> CA :: 52.8200 CB :: 20.3600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8550 HA :: 4.7500 HB1 :: 1.2600 HB2 :: 1.2600 HB3 :: 1.2600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.0500 Ave N Shift Values>> N :: 123.23(3.54) 1.V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 HN Overlap>> 1.L123 1.L123 C Shift Assignments>> CA :: 63.4000 CB :: 33.5040 CG1 :: 23.9000 CG2 :: 21.8500 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.4840 HA :: 4.3620 HB :: 1.5970 HG11 :: 1.0730 HG12 :: 1.0730 HG13 :: 1.0730 HG21 :: 0.9760 HG22 :: 0.9760 HG23 :: 0.9760 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.4510 Ave N Shift Values>> N :: 121.14(4.54) 1.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 170.8000 CA :: 47.0200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6960 HA2 :: 4.5300 HA3 :: 4.4130 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.9980 Ave N Shift Values>> N :: 109.67(3.87) 1.I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.61 I 0.34 G 0.01 A 0.01 C Shift Assignments>> C :: 176.0000 CA :: 58.9000 CB :: 42.0000 CG1 :: 24.9300 CG2 :: 17.6600 CD1 :: 13.8600 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HA :: 5.5000 HB :: 1.7290 HG12 :: 0.9780 HG13 :: 1.7050 HG21 :: 0.8580 HG22 :: 0.8580 HG23 :: 0.8580 HD11 :: 0.8990 HD12 :: 0.8990 HD13 :: 0.8990 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.F133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 C 0.35 Y 0.21 C Shift Assignments>> C :: 174.2000 CA :: 58.0350 CB :: 39.2000 CD1 :: 130.2000 CD2 :: 130.2000 CE1 :: 131.1000 CE2 :: 131.1000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.6720 HA :: 4.6600 HB2 :: 3.1600 HB3 :: 3.0120 HD1 :: 7.1130 HD2 :: 7.1130 HE1 :: 7.1930 HE2 :: 7.1930 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.9450 Ave N Shift Values>> N :: 120.45(4.18) 1.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 K 0.2 D 0.12 R 0.1 F 0.09 Y 0.05 C 0.03 I 0.02 N 0.01 C Shift Assignments>> C :: 174.1000 CD :: 42.3000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.3440 HB2 :: 1.6150 HB3 :: 1.6150 HG2 :: 1.7500 HG3 :: 1.7500 HD2 :: 3.1300 HD3 :: 3.1300 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 131.5540 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.15 A 0.14 K 0.08 C Shift Assignments>> C :: 174.7000 CA :: 51.8100 CB :: 23.4100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6110 HA :: 4.9100 HB1 :: 1.3830 HB2 :: 1.3830 HB3 :: 1.3830 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.8330 Ave N Shift Values>> N :: 123.23(3.54) 1.A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 L 0.34 C 0.12 K 0.01 C Shift Assignments>> C :: 175.4000 CA :: 50.9200 CB :: 22.5000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.2700 HA :: 5.2200 HB1 :: 1.5500 HB2 :: 1.5500 HB3 :: 1.5500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.0360 Ave N Shift Values>> N :: 123.23(3.54) 1.V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 176.2000 CA :: 63.0200 CB :: 31.2000 CG1 :: 20.9440 CG2 :: 19.4750 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.7280 HA :: 4.3210 HB :: 2.1930 HG11 :: 1.0730 HG12 :: 1.0730 HG13 :: 1.0730 HG21 :: 0.8790 HG22 :: 0.8790 HG23 :: 0.8790 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.9790 Ave N Shift Values>> N :: 121.14(4.54) 1.C138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.17 M 0.13 R 0.11 H 0.09 W 0.09 E 0.07 Q 0.07 V 0.04 C Shift Assignments>> C :: 174.7000 CA :: 57.7670 CB :: 32.3420 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.1260 HA :: 5.6850 HB2 :: 2.8960 HB3 :: 2.6410 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.3300 Ave N Shift Values>> N :: 120.17(4.64) 1.T139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.5000 CA :: 61.9700 CB :: 71.4900 CG2 :: 21.6390 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.8480 HA :: 4.5920 HB :: 4.0840 HG21 :: 1.3500 HG22 :: 1.3500 HG23 :: 1.3500 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.2370 Ave N Shift Values>> N :: 115.42(4.75) 1.R140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.47 R 0.32 G 0.15 L 0.04 C Shift Assignments>> C :: 176.3000 CA :: 57.6700 CB :: 28.3400 CG :: 28.3000 CD :: 43.8170 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.3280 HA :: 4.0260 HB2 :: 1.9890 HB3 :: 2.1520 HG2 :: 1.8130 HG3 :: 1.8130 HD2 :: 3.3760 HD3 :: 3.3760 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.G141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.6000 CA :: 46.1000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7960 HA2 :: 4.3250 HA3 :: 3.8120 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.5550 Ave N Shift Values>> N :: 109.67(3.87) 1.V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.1000 CA :: 62.3200 CB :: 33.3300 CG1 :: 22.2870 CG2 :: 21.1450 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1830 HA :: 4.4380 HB :: 2.1800 HG11 :: 0.8800 HG12 :: 0.8800 HG13 :: 0.8800 HG21 :: 1.0100 HG22 :: 1.0100 HG23 :: 1.0100 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.4410 Ave N Shift Values>> N :: 121.14(4.54) 1.A143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.03 C 0.02 L 0.02 HN Overlap>> 1.C26 1.C26 C Shift Assignments>> C :: 176.0000 CA :: 52.0700 CB :: 20.3000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.4630 HA :: 5.0240 HB1 :: 1.3870 HB2 :: 1.3870 HB3 :: 1.3870 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.5200 Ave N Shift Values>> N :: 123.23(3.54) 1.K144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.39 Q 0.09 R 0.03 E 0.01 I 0.01 HN Overlap>> 1.W64 1.W64 C Shift Assignments>> C :: 176.9000 CA :: 56.0100 CB :: 34.7250 CG :: 25.3750 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5570 HA :: 4.7200 HB2 :: 1.8850 HB3 :: 2.1030 HG2 :: 1.5930 HG3 :: 1.5930 HE2 :: 3.1000 HE3 :: 3.1000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.0280 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 L 0.3 C 0.09 HN Overlap>> 1.V14 1.K5 1.V14 1.K5 C Shift Assignments>> C :: 175.1000 CA :: 51.7700 CB :: 22.1000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4680 HA :: 5.0790 HB1 :: 1.6200 HB2 :: 1.6200 HB3 :: 1.6200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2270 Ave N Shift Values>> N :: 123.23(3.54) 1.V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.16 I 0.01 C Shift Assignments>> C :: 172.3000 CA :: 60.1300 CB :: 35.4910 CG1 :: 22.8900 CG2 :: 18.8060 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.6410 HA :: 5.2310 HB :: 2.4110 HG11 :: 0.7560 HG12 :: 0.7560 HG13 :: 0.7560 HG21 :: 0.8580 HG22 :: 0.8580 HG23 :: 0.8580 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 112.2250 Ave N Shift Values>> N :: 121.14(4.54) 1.D147 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 175.8000 CA :: 52.6100 CB :: 46.4000(S) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.7280 HA :: 6.0040(S) HB2 :: 2.3840 HB3 :: 2.7920 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.5100 Ave N Shift Values>> N :: 120.65(3.86) 1.F148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.26 G 0.16 D 0.08 C 0.05 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.6000 CA :: 54.9640 CB :: 43.9700 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.0700 HA :: 5.6600 HB2 :: 2.5750 HB3 :: 2.9180 HD1 :: 6.7050 HD2 :: 6.7050 HE1 :: 6.9870 HE2 :: 6.9870 HZ :: 7.3310 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.9640 Ave N Shift Values>> N :: 120.45(4.18) 1.V149 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>> C :: 175.6000 CA :: 59.3900 CB :: 33.3700 CG1 :: 21.8900 CG2 :: 21.5000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.0440 HA :: 4.4100 HB :: 2.1890 HG11 :: 1.0730 HG12 :: 1.0730 HG13 :: 1.0730 HG21 :: 1.2480 HG22 :: 1.2480 HG23 :: 1.2480 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.3780 Ave N Shift Values>> N :: 121.14(4.54) 1.P150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 178.1000 CA :: 62.7270 CB :: 33.3950 CG :: 27.9900 CD :: 50.1140 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.2830 HB2 :: 2.4460 HB3 :: 2.8160 HG2 :: 2.1720 HG3 :: 2.0770 HD2 :: 3.7020 HD3 :: 3.7020 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.84 C 0.15 C Shift Assignments>> CA :: 64.7000 CB :: 31.7110 CG1 :: 21.6500 CG2 :: 20.4340 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0690 HA :: 4.3980 HB :: 2.1720 HG11 :: 1.0550 HG12 :: 1.0550 HG13 :: 1.0550 HG21 :: 1.1690 HG22 :: 1.1690 HG23 :: 1.1690 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.E152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.36 E 0.11 K 0.01 C Shift Assignments>> C :: 179.2000 CA :: 61.1760 CB :: 28.9540 CG :: 37.3090 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.9080 HA :: 4.2090 HB2 :: 2.0900 HB3 :: 2.2110 HG2 :: 2.3940 HG3 :: 2.5830 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.8150 Ave N Shift Values>> N :: 120.67(3.48) 1.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.2000 CA :: 61.5400 CB :: 63.5400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7680 HA :: 4.4730 HB2 :: 3.6800 HB3 :: 3.9480 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.7050 Ave N Shift Values>> N :: 116.28(3.52) 1.M154 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.26 V 0.16 K 0.14 W 0.08 R 0.07 M 0.07 Q 0.07 H 0.05 E 0.04 C Shift Assignments>> C :: 178.8000 CA :: 59.5300 CG :: 32.7400 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.4640 HA :: 3.0120 HB2 :: 1.5800 HB3 :: 2.0170 HG2 :: 0.7400(S) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.4180 Ave N Shift Values>> N :: 120.09(3.57) 1.E155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.31 I 0.2 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.5000 CA :: 59.9500 CB :: 29.4700 CG :: 36.3000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.4750 HA :: 4.1180 HB2 :: 2.1900 HB3 :: 2.1900 HG2 :: 2.3150 HG3 :: 2.3600 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.3070 Ave N Shift Values>> N :: 120.67(3.48) 1.T156 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>> C :: 177.2000 CA :: 66.3900 CB :: 68.9000 CG2 :: 22.2400 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1380 HA :: 3.9850 HB :: 4.2500 HG21 :: 1.3360 HG22 :: 1.3360 HG23 :: 1.3360 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.4900 Ave N Shift Values>> N :: 115.42(4.75) 1.T157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.6000 CA :: 67.5740 CB :: 69.1000 CG2 :: 21.8760 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.6690 HA :: 4.1440 HB :: 4.3830 HG21 :: 1.3900 HG22 :: 1.3900 HG23 :: 1.3900 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.7720 Ave N Shift Values>> N :: 115.42(4.75) 1.M158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.32 Q 0.12 K 0.02 E 0.01 C Shift Assignments>> C :: 178.4000 CA :: 59.1700 CB :: 32.9000 CG :: 31.9000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.0430 HA :: 3.9700 HB2 :: 2.0240 HB3 :: 2.1500 HG2 :: 1.9750 HG3 :: 2.4180 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.0960 Ave N Shift Values>> N :: 120.09(3.57) 1.R159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.36 G 0.11 K 0.05 C Shift Assignments>> C :: 178.0000 CA :: 58.9100 CB :: 30.6860 CG :: 28.3150 CD :: 43.7050 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1450 HA :: 4.2210 HB2 :: 2.0300 HB3 :: 2.0300 HG2 :: 1.9510 HG3 :: 1.7950 HD2 :: 3.3040 HD3 :: 3.3040 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.5490 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 L 0.01 C Shift Assignments>> C :: 179.0000 CA :: 53.9000 CB :: 19.2000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9760 HA :: 4.4400 HB1 :: 1.6700 HB2 :: 1.6700 HB3 :: 1.6700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7080 Ave N Shift Values>> N :: 123.23(3.54) 1.S161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1000 CA :: 60.0900 CB :: 64.5000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9210 HA :: 4.6390 HB2 :: 4.2700 HB3 :: 4.2700 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.9920 Ave N Shift Values>> N :: 116.28(3.52) 1.K162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.1 R 0.09 E 0.09 Q 0.09 H 0.08 W 0.08 M 0.07 C 0.07 F 0.06 Y 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> C :: 176.8000 CA :: 56.9500 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0560 HA :: 4.4550 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.5900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.1 R 0.1 Q 0.09 H 0.09 E 0.08 W 0.08 M 0.07 C 0.07 F 0.06 Y 0.06 L 0.05 S 0.03 D 0.02 C Shift Assignments>> C :: 176.7000 CA :: 56.8800 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1340 HA :: 4.5010 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.2870 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.1 R 0.09 E 0.09 Q 0.09 H 0.08 W 0.08 M 0.07 C 0.07 F 0.06 Y 0.06 L 0.05 S 0.04 D 0.02 HN Overlap>> 1.E9 1.E9 C Shift Assignments>> C :: 175.8000 CA :: 56.9500 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3690 HA :: 4.4560 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.9430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.37 R 0.16 G 0.02 C Shift Assignments>> C :: 181.5000 CA :: 58.3100 CB :: 34.1600 CG :: 25.0660 CD :: 29.5000 CE :: 42.7000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0510 HA :: 4.2200 HB2 :: 1.8510 HB3 :: 1.9440 HG2 :: 1.5490 HG3 :: 1.5460 HD2 :: 1.8590 HD3 :: 1.8590 HE2 :: 3.1500 HE3 :: 3.1500 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.5480 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.0YA5 Overall Status: Residue type 0YA not supported. 2.2KX1 Overall Status: Residue type 2KX not supported. 2.0Y94 Overall Status: Residue type 0Y9 not supported. 2.2KY2 Overall Status: Residue type 2KY not supported. 2.HYP3 Overall Status: Residue type HYP not supported. 3.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 153 #Clerical: 0 #Suspicious: 10 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 149 #Suspicious: 3 #Mistyped: 0 #Indeterminable: 13 Shift Relative Order (SRO) Results: #Consistent: 164 #Suspicious: 1 C Shift Results: #Consistent: 513 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 H Shift Results: #Consistent: 904 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 1 N Shift Results: #Consistent: 136 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.E11 H = 10.6080(S), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1292e-04 1.V30 HG11 = -0.2700(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.3289e-05 1.V30 HG12 = -0.2700(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.3289e-05 1.V30 HG13 = -0.2700(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.3289e-05 1.H36 HB3 = 1.6450(S), Expected = 3.04, Std = 0.3800, ChiSquare = 2.4155e-04 1.H36 HE2 = 16.9200(A), Expected = 9.64, Std = 2.6000, ChiSquare = 5.1103e-03 1.H36 ND1 = 239.2000(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.6995e-02 1.G37 H = 6.0860(S), Expected = 8.33, Std = 0.6500, ChiSquare = 5.5581e-04 1.G37 HA3 = 1.7800(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.0059e-08 1.K47 Typing: Suspicious 1.K47 CD = 42.4000(A), Expected = 28.96, Std = 1.0800, ChiSquare = 1.4992e-35 1.K47 HD2 = 3.0800(S), Expected = 1.61, Std = 0.2200, ChiSquare = 2.3600e-11 1.K47 HD3 = 3.0800(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.7287e-11 1.L61 CB = 49.1800(S), Expected = 42.31, Std = 1.8800, ChiSquare = 2.5793e-04 1.G63 HA3 = 5.2940(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.6485e-04 1.W64 Typing: Suspicious 1.W64 CZ2 = 122.6000(S), Expected = 114.26, Std = 1.1200, ChiSquare = 9.5901e-14 1.W64 CH2 = 113.9000(S), Expected = 123.86, Std = 1.4200, ChiSquare = 2.3146e-12 1.W64 SRO Rule Break>> CH2 > CZ2 : 0.990049751243781 1.K115 Typing: Suspicious 1.K115 CG = 30.0000(S), Expected = 24.89, Std = 1.1300, ChiSquare = 6.1222e-06 1.G119 HA3 = 5.6100(S), Expected = 3.90, Std = 0.3700, ChiSquare = 3.8075e-06 1.D147 CB = 46.4000(S), Expected = 40.88, Std = 1.6200, ChiSquare = 6.5583e-04 1.D147 HA = 6.0040(S), Expected = 4.59, Std = 0.3200, ChiSquare = 9.9273e-06 1.M154 HG2 = 0.7400(S), Expected = 2.42, Std = 0.3500, ChiSquare = 1.5867e-06