Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.37 T 0.32 M 0.12 A 0.12 L 0.03 I 0.01 C Shift Assignments>> C :: 178.800 CB :: 20.935 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.31 E 0.13 M 0.13 R 0.06 HN Overlap>> 1.E15 1.D100 1.Q109 1.E40 1.E15 1.D100 1.Q109 1.E40 1.Q95 1.Q95 C Shift Assignments>> C :: 176.060 CA :: 56.348 CB :: 29.581 CG :: 33.565 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.400 HA :: 4.330 HB2 :: 2.090 HB3 :: 2.090 HG2 :: 2.350 HG3 :: 2.350 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.700 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.95 M 0.04 C Shift Assignments>> C :: 175.220 CA :: 56.648 CB :: 33.193 CG :: 24.605 CD :: 28.295 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.580 HA :: 4.300 HB2 :: 1.780 HB3 :: 1.780 HG2 :: 1.430 HG3 :: 1.430 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.440 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.E9 1.R25 1.R16 1.E9 1.R25 1.R16 1.Q64 1.Q38 1.Q64 1.Q38 C Shift Assignments>> C :: 174.630 CA :: 56.648 CB :: 30.114 CD2 :: 120.230 CE1 :: 137.400 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.430 HA :: 4.608 HB2 :: 3.201 HB3 :: 3.201 HD2 :: 7.210 HE1 :: 8.495 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.340 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 K 0.14 N 0.1 F 0.09 Y 0.08 R 0.03 HN Overlap>> 1.E51 1.E51 C Shift Assignments>> C :: 176.150 CA :: 54.381 CB :: 41.134 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.330 HA :: 4.600 HB2 :: 2.650 HB3 :: 2.650 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.090 Ave N Shift Values>> N :: 120.73(4.2) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 K 0.14 N 0.1 F 0.09 Y 0.08 R 0.03 HN Overlap>> 1.Q112 1.Q112 1.D107 1.K63 1.D107 1.K63 C Shift Assignments>> C :: 176.970 CA :: 54.381 CB :: 41.134 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.456 HA :: 4.647 HB2 :: 2.680 HB3 :: 2.680 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.484 Ave N Shift Values>> N :: 120.73(4.2) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.220 CA :: 59.216 CB :: 63.853 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.438 HA :: 4.472 HB2 :: 3.953 HB3 :: 3.953 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.210 Ave N Shift Values>> N :: 116.3(3.95) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S98 1.S98 C Shift Assignments>> C :: 175.220 CA :: 58.667 CB :: 63.822 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.383 HA :: 4.491 HB2 :: 3.905 HB3 :: 3.905 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.578 Ave N Shift Values>> N :: 116.3(3.95) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 Q 0.16 K 0.16 M 0.16 I 0.04 HN Overlap>> 1.R25 1.H4 1.R25 1.H4 C Shift Assignments>> C :: 176.970 CA :: 56.775 CB :: 30.185 CG :: 35.565 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.491 HA :: 4.295 HB2 :: 1.951 HB3 :: 2.107 HG2 :: 2.264 HG3 :: 2.264 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.340 Ave N Shift Values>> N :: 120.68(3.68) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Y32 1.Y32 C Shift Assignments>> C :: 176.270 CA :: 62.257 CB :: 32.642 CG1 :: 20.955 CG2 :: 20.955 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.117 HA :: 4.110 HB :: 2.107 HG11 :: 0.955 HG12 :: 0.955 HG13 :: 0.955 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.668 Ave N Shift Values>> N :: 121.02(4.96) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.21 L 0.01 C Shift Assignments>> C :: 177.790 CA :: 52.674 CB :: 19.415 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.368 HA :: 4.335 HB1 :: 1.395 HB2 :: 1.395 HB3 :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.296 Ave N Shift Values>> N :: 123.23(3.7) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.39 C Shift Assignments>> C :: 175.570 CA :: 52.929 CB :: 38.851 CG :: 177.660 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.431 HA :: 4.725 HB2 :: 2.753 HB3 :: 2.850 HD21 :: 7.650 HD22 :: 6.960 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.287 ND2 :: 111.800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K47 1.K50 1.K47 1.K50 C Shift Assignments>> C :: 176.620 CA :: 61.513 CB :: 38.799 CG1 :: 26.945 CG2 :: 17.635 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.173 HA :: 4.217 HB :: 1.893 HG12 :: 1.209 HG13 :: 1.453 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 HD11 :: 0.936 HD12 :: 0.936 HD13 :: 0.936 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.216 Ave N Shift Values>> N :: 121.6(4.72) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 M 0.17 K 0.14 Q 0.11 I 0.05 C Shift Assignments>> C :: 176.900 CA :: 56.539 CB :: 30.289 CG :: 35.915 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.490 HA :: 4.290 HB2 :: 1.990 HB3 :: 1.990 HG2 :: 2.270 HG3 :: 2.270 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.220 Ave N Shift Values>> N :: 120.68(3.68) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 K 0.15 I 0.11 M 0.06 Q 0.05 HN Overlap>> 1.Q109 1.E40 1.Q2 1.Q95 1.Q109 1.E40 1.Q2 1.Q95 C Shift Assignments>> C :: 176.740 CA :: 56.372 CB :: 29.377 CG :: 36.595 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.447 HA :: 4.390 HB2 :: 2.020 HB3 :: 2.020 HG2 :: 2.392 HG3 :: 2.392 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.700 Ave N Shift Values>> N :: 120.68(3.68) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.25 R 0.18 Q 0.17 M 0.12 E 0.12 K 0.11 HN Overlap>> 1.R25 1.R25 1.H4 1.Q64 1.Q38 1.H4 1.Q64 1.Q38 C Shift Assignments>> CA :: 54.095 CB :: 30.165 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.380 HA :: 4.590 HB2 :: 1.780 HB3 :: 1.780 HG2 :: 1.720 HG3 :: 1.720 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.260 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.440 CA :: 63.495 CB :: 31.585 CG :: 26.935 CD :: 50.835 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.471 HB2 :: 1.990 HB3 :: 2.312 HG2 :: 1.990 HG3 :: 1.990 HD2 :: 3.700 HD3 :: 3.700 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.M106 1.M106 C Shift Assignments>> C :: 176.740 CA :: 61.279 CB :: 38.684 CG1 :: 25.595 CG2 :: 17.635 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.299 HA :: 4.139 HB :: 1.873 HG12 :: 1.233 HG13 :: 1.247 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.350 Ave N Shift Values>> N :: 121.6(4.72) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 M 0.09 HN Overlap>> 1.K59 1.K59 C Shift Assignments>> C :: 176.510 CA :: 56.133 CB :: 33.051 CG :: 24.595 CD :: 29.255 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.393 HA :: 4.315 HB2 :: 1.757 HB3 :: 1.835 HG2 :: 1.463 HG3 :: 1.463 HD2 :: 1.730 HD3 :: 1.730 HE2 :: 3.050 HE3 :: 3.050 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.612 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 HN Overlap>> 1.K59 1.A60 1.K59 1.A60 C Shift Assignments>> C :: 177.790 CA :: 52.391 CB :: 19.183 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.326 HA :: 4.295 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.782 Ave N Shift Values>> N :: 123.23(3.7) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C Shift Assignments>> C :: 178.380 CA :: 52.391 CB :: 19.183 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.363 HA :: 4.354 HB1 :: 1.405 HB2 :: 1.405 HB3 :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.841 Ave N Shift Values>> N :: 123.23(3.7) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.F76 1.F76 C Shift Assignments>> C :: 177.220 CA :: 61.561 CB :: 38.760 CG1 :: 27.265 CG2 :: 17.635 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.189 HA :: 4.141 HB :: 1.894 HG12 :: 1.260 HG13 :: 1.570 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.117 Ave N Shift Values>> N :: 121.6(4.72) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 R 0.05 C Shift Assignments>> C :: 174.630 CA :: 45.184 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.492 HA2 :: 3.983 HA3 :: 3.983 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.378 Ave N Shift Values>> N :: 109.91(4.29) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 K 0.17 I 0.15 Q 0.05 M 0.03 HN Overlap>> 1.D100 1.K87 1.E35 1.E43 1.D100 1.K87 1.E35 1.E43 C Shift Assignments>> C :: 176.740 CA :: 56.841 CB :: 28.931 CG :: 36.555 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.255 HA :: 4.314 HB2 :: 2.050 HB3 :: 2.050 HG2 :: 2.283 HG3 :: 2.283 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.581 Ave N Shift Values>> N :: 120.68(3.68) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.14 K 0.11 L 0.01 HN Overlap>> 1.E9 1.E9 1.R16 1.H4 1.Q64 1.Q38 1.R16 1.H4 1.Q64 1.Q38 C Shift Assignments>> C :: 176.390 CA :: 56.306 CB :: 30.550 CG :: 26.925 CD :: 43.535 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.430 HA :: 4.340 HB2 :: 1.840 HB3 :: 1.840 HG2 :: 1.660 HG3 :: 1.660 HD2 :: 3.220 HD3 :: 3.220 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.260 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 M 0.09 HN Overlap>> 1.K90 1.K90 C Shift Assignments>> C :: 176.860 CA :: 56.382 CB :: 32.971 CG :: 24.605 CD :: 29.255 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.475 HA :: 4.310 HB2 :: 1.770 HB3 :: 1.810 HG2 :: 1.460 HG3 :: 1.460 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 3.020 HE3 :: 3.020 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.240 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.27 E 0.18 M 0.15 R 0.04 HN Overlap>> 1.F29 1.F29 C Shift Assignments>> C :: 176.380 CA :: 56.375 CB :: 29.811 CG :: 33.905 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.530 HA :: 4.413 HB2 :: 2.029 HB3 :: 2.029 HG2 :: 2.343 HG3 :: 2.343 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.870 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.980 CA :: 61.563 CB :: 70.252 CG2 :: 21.945 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.379 HA :: 4.410 HB :: 4.350 HG21 :: 1.209 HG22 :: 1.209 HG23 :: 1.209 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.210 Ave N Shift Values>> N :: 115.7(5.05) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.Q27 1.Q27 C Shift Assignments>> C :: 176.510 CA :: 58.698 CB :: 39.053 CD1 :: 131.815 CD2 :: 131.815 CE1 :: 131.865 CE2 :: 131.865 CZ :: 129.595 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.515 HA :: 4.588 HB2 :: 3.124 HB3 :: 3.124 HD1 :: 7.280 HD2 :: 7.280 HE1 :: 7.385 HE2 :: 7.385 HZ :: 7.310 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.803 Ave N Shift Values>> N :: 120.69(4.18) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.19 K 0.1 M 0.07 Q 0.03 HN Overlap>> 1.Q95 1.Q95 C Shift Assignments>> C :: 177.330 CA :: 58.011 CB :: 29.899 CG :: 36.655 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.515 HA :: 4.119 HB2 :: 1.932 HB3 :: 2.049 HG2 :: 2.262 HG3 :: 1.932 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.545 Ave N Shift Values>> N :: 120.68(3.68) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.21 K 0.17 F 0.12 Y 0.1 N 0.06 R 0.04 I 0.01 HN Overlap>> 1.E34 1.K45 1.E34 1.K45 C Shift Assignments>> C :: 177.320 CA :: 55.293 CB :: 41.136 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.148 HA :: 4.491 HB2 :: 2.674 HB3 :: 2.674 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.411 Ave N Shift Values>> N :: 120.73(4.2) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.V10 1.V10 C Shift Assignments>> C :: 176.740 CA :: 58.930 CB :: 38.222 CD1 :: 132.030 CD2 :: 132.030 CE1 :: 118.425 CE2 :: 118.425 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.071 HA :: 4.461 HB2 :: 3.086 HB3 :: 3.086 HD1 :: 7.108 HD2 :: 7.108 HE1 :: 6.850 HE2 :: 6.850 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.595 Ave N Shift Values>> N :: 120.79(4.69) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.08 G 0.02 C Shift Assignments>> C :: 178.380 CA :: 56.197 CB :: 42.215 CG :: 26.925 CD1 :: 24.600 CD2 :: 23.940 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.087 HA :: 4.119 HB2 :: 1.620 HB3 :: 1.620 HG :: 1.483 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 HD21 :: 0.877 HD22 :: 0.877 HD23 :: 0.877 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.658 Ave N Shift Values>> N :: 121.98(4.07) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 K 0.17 Q 0.12 I 0.09 M 0.09 HN Overlap>> 1.K87 1.E35 1.D31 1.K87 1.E35 1.D31 C Shift Assignments>> C :: 177.910 CA :: 57.475 CB :: 29.735 CG :: 35.895 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.150 HA :: 4.150 HB2 :: 2.060 HB3 :: 2.060 HG2 :: 2.320 HG3 :: 2.320 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.500 Ave N Shift Values>> N :: 120.68(3.68) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.2 K 0.13 Q 0.06 M 0.06 HN Overlap>> 1.Q110 1.K87 1.Q110 1.K87 1.E43 1.E24 1.E34 1.E71 1.E43 1.E24 1.E34 1.E71 C Shift Assignments>> C :: 177.280 CA :: 58.572 CB :: 29.637 CG :: 36.225 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.250 HA :: 4.180 HB2 :: 2.000 HB3 :: 2.000 HG2 :: 2.270 HG3 :: 2.270 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.500 Ave N Shift Values>> N :: 120.68(3.68) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 K 0.25 Q 0.19 I 0.06 M 0.04 R 0.01 HN Overlap>> 1.K80 1.K80 C Shift Assignments>> C :: 177.560 CA :: 56.803 CB :: 28.938 CG :: 35.565 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.330 HA :: 4.178 HB2 :: 2.150 HB3 :: 2.150 HG2 :: 2.480 HG3 :: 2.480 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.340 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L44 1.L73 1.L44 1.L73 C Shift Assignments>> C :: 177.910 CA :: 62.925 CB :: 38.345 CG1 :: 28.255 CG2 :: 17.305 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.126 HA :: 4.002 HB :: 1.892 HG12 :: 1.190 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.534 Ave N Shift Values>> N :: 121.6(4.72) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.33 E 0.13 M 0.09 R 0.09 HN Overlap>> 1.R25 1.R16 1.H4 1.Q64 1.R25 1.R16 1.H4 1.Q64 C Shift Assignments>> C :: 177.560 CA :: 56.905 CB :: 29.187 CG :: 33.555 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.380 HA :: 4.280 HB2 :: 2.090 HB3 :: 2.090 HG2 :: 2.430 HG3 :: 2.430 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.260 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.11 G 0.02 A 0.01 HN Overlap>> 1.K61 1.K61 1.L111 1.K82 1.L91 1.K68 1.L111 1.K82 1.L91 1.K68 C Shift Assignments>> C :: 178.380 CA :: 56.505 CB :: 42.344 CG :: 26.925 CD1 :: 24.940 CD2 :: 23.270 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.270 HA :: 4.270 HB2 :: 1.680 HB3 :: 1.680 HG :: 1.620 HD11 :: 0.930 HD12 :: 0.930 HD13 :: 0.930 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.650 Ave N Shift Values>> N :: 121.98(4.07) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.18 K 0.17 Q 0.07 M 0.03 HN Overlap>> 1.E15 1.D100 1.Q109 1.E15 1.D100 1.Q109 1.Q2 1.Q95 1.Q2 1.Q95 C Shift Assignments>> C :: 177.680 CA :: 57.975 CB :: 29.105 CG :: 36.225 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.400 HA :: 4.200 HB2 :: 2.090 HB3 :: 2.090 HG2 :: 2.370 HG3 :: 2.370 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.700 Ave N Shift Values>> N :: 120.68(3.68) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 K 0.21 Q 0.13 I 0.09 M 0.05 C Shift Assignments>> C :: 178.400 CA :: 57.000 CB :: 29.195 CG :: 35.895 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.255 HA :: 4.180 HB2 :: 2.050 HB3 :: 2.050 HG2 :: 2.300 HG3 :: 2.300 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.920 Ave N Shift Values>> N :: 120.68(3.68) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.33 E 0.12 R 0.11 M 0.05 I 0.01 HN Overlap>> 1.Q110 1.E43 1.Q110 1.E43 1.E71 1.E71 C Shift Assignments>> C :: 177.910 CA :: 57.895 CB :: 28.595 CG :: 33.575 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.370 HA :: 4.200 HB2 :: 2.050 HB3 :: 2.050 HG2 :: 2.390 HG3 :: 2.390 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.510 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 K 0.23 Q 0.17 I 0.1 M 0.04 R 0.01 HN Overlap>> 1.Q110 1.K87 1.E35 1.Q110 1.K87 1.E35 1.Q42 1.E24 1.E71 1.Q42 1.E24 1.E71 C Shift Assignments>> C :: 178.490 CA :: 57.745 CB :: 29.095 CG :: 35.565 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.320 HA :: 4.200 HB2 :: 2.070 HB3 :: 2.070 HG2 :: 2.320 HG3 :: 2.320 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.510 Ave N Shift Values>> N :: 120.68(3.68) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.07 G 0.01 HN Overlap>> 1.L73 1.I37 1.L73 1.I37 C Shift Assignments>> C :: 178.960 CA :: 56.436 CB :: 42.052 CG :: 26.925 CD1 :: 24.600 CD2 :: 23.940 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.115 HA :: 4.320 HB2 :: 1.650 HB3 :: 1.650 HG :: 1.650 HD11 :: 0.920 HD12 :: 0.920 HD13 :: 0.920 HD21 :: 0.920 HD22 :: 0.920 HD23 :: 0.920 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.480 Ave N Shift Values>> N :: 121.98(4.07) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 M 0.06 HN Overlap>> 1.D31 1.D31 C Shift Assignments>> C :: 178.380 CA :: 57.595 CB :: 32.256 CG :: 24.935 CD :: 28.925 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.134 HA :: 4.180 HB2 :: 1.890 HB3 :: 1.890 HG2 :: 1.520 HG3 :: 1.520 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 3.000 HE3 :: 3.000 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.310 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.33 R 0.12 E 0.09 M 0.09 C Shift Assignments>> C :: 177.680 CA :: 56.751 CB :: 28.888 CG :: 33.265 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.163 HA :: 4.220 HB2 :: 2.140 HB3 :: 2.140 HG2 :: 2.470 HG3 :: 2.470 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.950 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 M 0.07 HN Overlap>> 1.K50 1.I13 1.K50 1.I13 C Shift Assignments>> C :: 178.260 CA :: 57.935 CB :: 32.470 CG :: 24.935 CD :: 29.255 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.190 HA :: 4.240 HB2 :: 1.880 HB3 :: 1.880 HG2 :: 1.490 HG3 :: 1.490 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.990 HE3 :: 2.990 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.32 E 0.18 R 0.06 M 0.05 I 0.01 HN Overlap>> 1.F66 1.F66 1.E53 1.F83 1.E53 1.F83 C Shift Assignments>> C :: 177.380 CA :: 56.826 CB :: 28.944 CG :: 34.035 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.270 HA :: 4.270 HB2 :: 2.100 HB3 :: 2.100 HG2 :: 2.420 HG3 :: 2.420 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.720 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.19 G 0.02 K 0.01 C Shift Assignments>> C :: 178.500 CA :: 56.249 CB :: 42.170 CG :: 27.285 CD1 :: 25.595 CD2 :: 25.595 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.125 HA :: 4.280 HB2 :: 1.640 HB3 :: 1.640 HG :: 1.640 HD11 :: 0.930 HD12 :: 0.930 HD13 :: 0.930 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.260 Ave N Shift Values>> N :: 121.98(4.07) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.05 HN Overlap>> 1.K47 1.K47 1.I13 1.I13 C Shift Assignments>> C :: 177.800 CA :: 56.818 CB :: 32.757 CG :: 24.935 CD :: 28.595 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.185 HA :: 4.260 HB2 :: 1.880 HB3 :: 1.880 HG2 :: 1.510 HG3 :: 1.510 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.990 HE3 :: 2.990 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.15 K 0.12 I 0.07 Q 0.07 HN Overlap>> 1.D5 1.D5 C Shift Assignments>> C :: 177.090 CA :: 56.818 CB :: 30.225 CG :: 36.225 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.350 HA :: 4.237 HB2 :: 1.873 HB3 :: 2.088 HG2 :: 2.290 HG3 :: 2.290 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.090 Ave N Shift Values>> N :: 120.68(3.68) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.23 C Shift Assignments>> C :: 178.260 CA :: 52.766 CB :: 19.177 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.187 HA :: 4.334 HB1 :: 1.463 HB2 :: 1.463 HB3 :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.820 Ave N Shift Values>> N :: 123.23(3.7) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.18 K 0.1 Q 0.07 I 0.06 HN Overlap>> 1.F66 1.Q48 1.F66 1.Q48 C Shift Assignments>> C :: 177.090 CA :: 56.706 CB :: 30.517 CG :: 36.225 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.292 HA :: 4.334 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 2.361 HG3 :: 2.361 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.720 Ave N Shift Values>> N :: 120.68(3.68) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 R 0.17 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.555 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.175 HA2 :: 4.061 HA3 :: 4.178 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.545 Ave N Shift Values>> N :: 109.91(4.29) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.330 CA :: 62.965 CB :: 31.905 CG :: 26.925 CD :: 49.835 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.400 HB2 :: 2.000 HB3 :: 2.230 HG2 :: 2.000 HG3 :: 2.000 HD2 :: 3.651 HD3 :: 3.651 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.13 K 0.11 R 0.05 F 0.05 Y 0.04 C Shift Assignments>> CA :: 52.700 CB :: 41.715 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.370 HA :: 4.620 HB2 :: 1.720 HB3 :: 1.720 HG :: 1.610 HD11 :: 0.970 HD12 :: 0.970 HD13 :: 0.970 HD21 :: 0.970 HD22 :: 0.970 HD23 :: 0.970 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.630 Ave N Shift Values>> N :: 121.98(4.07) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.210 CA :: 62.626 CB :: 32.685 CG :: 27.595 CD :: 50.505 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.471 HB2 :: 2.040 HB3 :: 2.284 HG2 :: 2.040 HG3 :: 2.040 HD2 :: 3.730 HD3 :: 3.730 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q101 1.Q101 C Shift Assignments>> C :: 176.740 CA :: 61.274 CB :: 38.699 CG1 :: 27.255 CG2 :: 17.635 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.236 HA :: 4.138 HB :: 1.874 HG12 :: 1.233 HG13 :: 1.443 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 HD11 :: 0.936 HD12 :: 0.936 HD13 :: 0.936 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.777 Ave N Shift Values>> N :: 121.6(4.72) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 M 0.09 HN Overlap>> 1.K19 1.K19 1.A60 1.A20 1.A60 1.A20 C Shift Assignments>> C :: 176.270 CA :: 56.218 CB :: 33.012 CG :: 24.605 CD :: 29.255 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.399 HA :: 4.334 HB2 :: 1.776 HB3 :: 1.853 HG2 :: 1.464 HG3 :: 1.464 HD2 :: 1.730 HD3 :: 1.730 HE2 :: 3.040 HE3 :: 3.040 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.709 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 HN Overlap>> 1.K59 1.K59 1.A20 1.A20 C Shift Assignments>> C :: 177.910 CA :: 51.505 CB :: 19.383 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.334 HA :: 4.295 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.710 Ave N Shift Values>> N :: 123.23(3.7) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 K 0.21 Q 0.14 H 0.13 R 0.12 E 0.05 V 0.01 HN Overlap>> 1.L39 1.R69 1.L111 1.K82 1.K68 1.L39 1.R69 1.L111 1.K82 1.K68 C Shift Assignments>> CA :: 54.095 CB :: 32.625 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.380 HA :: 4.600 HB2 :: 1.760 HB3 :: 1.760 HG2 :: 1.500 HG3 :: 1.500 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.660 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.330 CA :: 62.819 CB :: 32.777 CG :: 27.595 CD :: 50.835 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.410 HB2 :: 2.040 HB3 :: 2.250 HG2 :: 2.040 HG3 :: 2.040 HD2 :: 3.620 HD3 :: 3.620 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 M 0.1 HN Overlap>> 1.D6 1.D6 C Shift Assignments>> C :: 176.740 CA :: 56.195 CB :: 32.777 CG :: 24.935 CD :: 29.595 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.520 HA :: 4.280 HB2 :: 1.810 HB3 :: 1.810 HG2 :: 1.500 HG3 :: 1.500 HE2 :: 3.150 HE3 :: 3.150 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.480 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.25 R 0.18 Q 0.17 M 0.12 E 0.12 K 0.11 HN Overlap>> 1.R25 1.R16 1.H4 1.R25 1.R16 1.H4 1.Q38 1.Q38 C Shift Assignments>> CA :: 54.095 CB :: 30.171 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.380 HA :: 4.580 HB2 :: 1.960 HB3 :: 1.960 HG2 :: 2.270 HG3 :: 2.270 HE21 :: 7.450 HE22 :: 6.870 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.270 NE2 :: 112.080 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.850 CA :: 63.400 CB :: 32.503 CG :: 26.935 CD :: 50.835 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.370 HB2 :: 1.900 HB3 :: 2.240 HG2 :: 1.900 HG3 :: 1.900 HD2 :: 3.660 HD3 :: 3.660 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.Q48 1.E53 1.F83 1.Q48 1.E53 1.F83 C Shift Assignments>> C :: 175.920 CA :: 57.495 CB :: 39.340 CD1 :: 131.815 CD2 :: 131.815 CE1 :: 131.865 CE2 :: 131.865 CZ :: 129.595 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.240 HA :: 4.600 HB2 :: 3.120 HB3 :: 3.120 HD1 :: 7.280 HD2 :: 7.280 HE1 :: 7.390 HE2 :: 7.390 HZ :: 7.310 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.720 Ave N Shift Values>> N :: 120.69(4.18) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.07 G 0.05 A 0.02 C Shift Assignments>> C :: 176.970 CA :: 54.774 CB :: 42.658 CG :: 26.935 CD1 :: 24.600 CD2 :: 23.590 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.080 HA :: 4.334 HB2 :: 1.600 HB3 :: 1.600 HG :: 1.560 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.073 Ave N Shift Values>> N :: 121.98(4.07) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 M 0.09 HN Overlap>> 1.K61 1.L39 1.L111 1.K82 1.L91 1.K61 1.L39 1.L111 1.K82 1.L91 C Shift Assignments>> C :: 176.740 CA :: 56.614 CB :: 32.886 CG :: 24.935 CD :: 29.595 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.310 HA :: 4.320 HB2 :: 1.800 HB3 :: 1.800 HG2 :: 1.740 HG3 :: 1.740 HD2 :: 1.440 HD3 :: 1.440 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.650 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.18 G 0.09 L 0.01 HN Overlap>> 1.K61 1.K61 1.L111 1.L111 C Shift Assignments>> C :: 177.200 CA :: 56.614 CB :: 30.583 CG :: 26.935 CD :: 43.195 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.430 HA :: 4.300 HB2 :: 1.770 HB3 :: 1.770 HG2 :: 1.660 HG3 :: 1.660 HD2 :: 3.170 HD3 :: 3.170 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.650 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 HN Overlap>> 1.G86 1.G86 C Shift Assignments>> C :: 174.630 CA :: 45.293 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.548 HA2 :: 3.982 HA3 :: 3.982 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.327 Ave N Shift Values>> N :: 109.91(4.29) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.17 K 0.11 Q 0.07 I 0.07 HN Overlap>> 1.Q110 1.K87 1.E35 1.E43 1.Q42 1.Q110 1.K87 1.E35 1.E43 1.Q42 C Shift Assignments>> C :: 177.560 CA :: 56.711 CB :: 30.398 CG :: 36.225 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.346 HA :: 4.315 HB2 :: 1.991 HB3 :: 1.991 HG2 :: 2.283 HG3 :: 2.283 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.500 Ave N Shift Values>> N :: 120.68(3.68) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 174.740 CA :: 45.475 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.567 HA2 :: 3.963 HA3 :: 3.963 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.594 Ave N Shift Values>> N :: 109.91(4.29) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.08 A 0.03 G 0.02 HN Overlap>> 1.L44 1.L44 1.I37 1.I37 C Shift Assignments>> C :: 177.910 CA :: 55.247 CB :: 42.171 CG :: 26.925 CD1 :: 24.940 CD2 :: 23.270 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.117 HA :: 4.353 HB2 :: 1.639 HB3 :: 1.639 HG :: 1.639 HD11 :: 0.920 HD12 :: 0.920 HD13 :: 0.920 HD21 :: 0.920 HD22 :: 0.920 HD23 :: 0.920 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.460 Ave N Shift Values>> N :: 121.98(4.07) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 HN Overlap>> 1.A79 1.A79 C Shift Assignments>> C :: 178.140 CA :: 52.838 CB :: 18.931 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.297 HA :: 4.277 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.220 Ave N Shift Values>> N :: 123.23(3.7) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.16 G 0.09 L 0.02 C Shift Assignments>> C :: 176.740 CA :: 56.784 CB :: 30.356 CG :: 26.925 CD :: 43.205 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.128 HA :: 4.217 HB2 :: 1.800 HB3 :: 1.800 HG2 :: 1.670 HG3 :: 1.670 HD2 :: 3.140 HD3 :: 3.140 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.391 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.I22 1.I22 C Shift Assignments>> C :: 176.510 CA :: 57.618 CB :: 39.480 CD1 :: 131.815 CD2 :: 131.815 CE1 :: 131.865 CE2 :: 131.865 CZ :: 129.595 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.204 HA :: 4.745 HB2 :: 3.045 HB3 :: 3.241 HD1 :: 7.280 HD2 :: 7.280 HE1 :: 7.385 HE2 :: 7.385 HZ :: 7.310 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.093 Ave N Shift Values>> N :: 120.69(4.18) 1.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.630 CA :: 62.152 CB :: 69.813 CG2 :: 21.285 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.120 HA :: 4.315 HB :: 4.217 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.283 Ave N Shift Values>> N :: 115.7(5.05) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.34 HN Overlap>> 1.N94 1.N94 C Shift Assignments>> C :: 175.570 CA :: 52.918 CB :: 38.440 CG :: 177.660 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.450 HA :: 4.725 HB2 :: 2.800 HB3 :: 2.800 HD21 :: 7.650 HD22 :: 6.950 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.875 ND2 :: 111.800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.25 HN Overlap>> 1.A74 1.A74 C Shift Assignments>> C :: 178.500 CA :: 53.022 CB :: 19.156 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.297 HA :: 4.277 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.220 Ave N Shift Values>> N :: 123.23(3.7) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.95 M 0.04 HN Overlap>> 1.Q36 1.Q36 C Shift Assignments>> C :: 177.560 CA :: 56.630 CB :: 32.805 CG :: 24.935 CD :: 28.295 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.328 HA :: 4.315 HB2 :: 1.796 HB3 :: 1.892 HG2 :: 1.440 HG3 :: 1.440 HD2 :: 1.720 HD3 :: 1.720 HE2 :: 2.970 HE3 :: 2.970 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.330 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 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 :: 175.220 CA :: 58.555 CB :: 63.903 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.229 HA :: 4.412 HB2 :: 3.904 HB3 :: 3.904 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.236 Ave N Shift Values>> N :: 116.3(3.95) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 A 0.02 K 0.01 HN Overlap>> 1.K61 1.L39 1.L111 1.K61 1.L39 1.L111 1.L91 1.K68 1.L91 1.K68 C Shift Assignments>> C :: 176.860 CA :: 57.464 CB :: 32.729 CG :: 28.585 CD :: 24.275 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.310 HA :: 4.320 HB2 :: 1.740 HB3 :: 1.814 HG2 :: 1.440 HG3 :: 1.440 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.650 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.F66 1.Q48 1.F66 1.Q48 C Shift Assignments>> C :: 176.150 CA :: 57.727 CB :: 39.428 CD1 :: 131.815 CD2 :: 131.815 CE1 :: 131.865 CE2 :: 131.865 CZ :: 129.595 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.170 HA :: 4.630 HB2 :: 3.010 HB3 :: 3.170 HD1 :: 7.280 HD2 :: 7.280 HE1 :: 7.385 HE2 :: 7.385 HZ :: 7.310 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.703 Ave N Shift Values>> N :: 120.69(4.18) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.31 E 0.16 M 0.1 R 0.06 I 0.02 C Shift Assignments>> C :: 176.970 CA :: 58.486 CB :: 29.614 CG :: 33.595 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.220 HA :: 4.260 HB2 :: 2.000 HB3 :: 2.100 HG2 :: 2.360 HG3 :: 2.360 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.948 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 M 0.07 C Shift Assignments>> C :: 177.200 CA :: 56.614 CB :: 32.949 CG :: 24.605 CD :: 28.925 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.380 HA :: 4.340 HB2 :: 1.760 HB3 :: 1.760 HG2 :: 1.490 HG3 :: 1.490 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.040 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 HN Overlap>> 1.G70 1.G70 C Shift Assignments>> C :: 174.630 CA :: 45.293 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.548 HA2 :: 3.982 HA3 :: 3.982 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.327 Ave N Shift Values>> N :: 109.91(4.29) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 M 0.07 HN Overlap>> 1.Q110 1.Q110 1.E35 1.E43 1.E24 1.E34 1.E71 1.E35 1.E43 1.E24 1.E34 1.E71 C Shift Assignments>> C :: 177.210 CA :: 56.514 CB :: 32.854 CG :: 24.605 CD :: 28.925 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.240 HA :: 4.310 HB2 :: 1.770 HB3 :: 1.850 HG2 :: 1.430 HG3 :: 1.430 HE2 :: 2.960 HE3 :: 2.960 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.510 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 K 0.14 M 0.13 I 0.08 Q 0.08 C Shift Assignments>> C :: 177.090 CA :: 56.780 CB :: 30.045 CG :: 36.225 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.610 HA :: 4.295 HB2 :: 1.980 HB3 :: 1.980 HG2 :: 2.300 HG3 :: 2.300 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.680 Ave N Shift Values>> N :: 120.68(3.68) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.390 CA :: 58.656 CB :: 63.815 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.366 HA :: 4.451 HB2 :: 3.885 HB3 :: 3.885 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.016 Ave N Shift Values>> N :: 116.3(3.95) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 M 0.07 HN Overlap>> 1.K26 1.K26 C Shift Assignments>> C :: 176.740 CA :: 56.328 CB :: 32.888 CG :: 24.605 CD :: 28.925 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.380 HA :: 4.340 HB2 :: 1.760 HB3 :: 1.760 HG2 :: 1.490 HG3 :: 1.490 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.240 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.09 G 0.03 HN Overlap>> 1.L39 1.L111 1.K82 1.L39 1.L111 1.K82 1.K68 1.K68 C Shift Assignments>> C :: 177.680 CA :: 55.388 CB :: 42.346 CG :: 26.605 CD1 :: 25.275 CD2 :: 25.275 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.240 HA :: 4.393 HB2 :: 1.650 HB3 :: 1.650 HG :: 1.650 HD11 :: 0.920 HD12 :: 0.920 HD13 :: 0.920 HD21 :: 0.920 HD22 :: 0.920 HD23 :: 0.920 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.650 Ave N Shift Values>> N :: 121.98(4.07) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L103 1.L103 C Shift Assignments>> C :: 176.740 CA :: 62.560 CB :: 32.607 CG1 :: 20.890 CG2 :: 21.280 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.227 HA :: 4.217 HB :: 2.108 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 0.964 HG22 :: 0.964 HG23 :: 0.964 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.729 Ave N Shift Values>> N :: 121.02(4.96) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.630 CA :: 61.757 CB :: 69.867 CG2 :: 21.615 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.280 HA :: 4.412 HB :: 4.256 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.481 Ave N Shift Values>> N :: 115.7(5.05) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.41 HN Overlap>> 1.N78 1.N78 C Shift Assignments>> C :: 175.450 CA :: 53.339 CB :: 38.831 CG :: 177.660 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.507 HA :: 4.765 HB2 :: 2.849 HB3 :: 2.849 HD21 :: 7.650 HD22 :: 6.950 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.890 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.31 E 0.13 M 0.13 R 0.06 HN Overlap>> 1.E15 1.Q109 1.E40 1.E30 1.Q2 1.E15 1.Q109 1.E40 1.E30 1.Q2 C Shift Assignments>> C :: 176.500 CA :: 56.282 CB :: 29.586 CG :: 33.565 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.456 HA :: 4.393 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 2.390 HG3 :: 2.390 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.606 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.330 CA :: 58.514 CB :: 63.960 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.492 HA :: 4.568 HB2 :: 3.924 HB3 :: 3.924 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.090 Ave N Shift Values>> N :: 116.3(3.95) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.220 CA :: 61.730 CB :: 69.919 CG2 :: 21.100 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.319 HA :: 4.451 HB :: 4.333 HG21 :: 1.248 HG22 :: 1.248 HG23 :: 1.248 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.320 Ave N Shift Values>> N :: 115.7(5.05) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S8 1.S8 C Shift Assignments>> C :: 176.540 CA :: 58.768 CB :: 63.876 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.383 HA :: 4.491 HB2 :: 3.905 HB3 :: 3.905 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.578 Ave N Shift Values>> N :: 116.3(3.95) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 M 0.16 K 0.14 Q 0.12 I 0.05 HN Overlap>> 1.L103 1.L103 C Shift Assignments>> C :: 176.850 CA :: 56.594 CB :: 30.222 CG :: 35.895 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.380 HA :: 4.295 HB2 :: 1.990 HB3 :: 2.089 HG2 :: 2.303 HG3 :: 2.303 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.656 Ave N Shift Values>> N :: 120.68(3.68) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.21 N 0.14 K 0.11 F 0.07 Y 0.06 R 0.03 HN Overlap>> 1.E40 1.E24 1.Q2 1.E40 1.E24 1.Q2 C Shift Assignments>> C :: 176.150 CA :: 53.683 CB :: 41.175 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.335 HA :: 4.608 HB2 :: 2.615 HB3 :: 2.615 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.631 Ave N Shift Values>> N :: 120.73(4.2) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 Q 0.19 E 0.17 H 0.16 R 0.13 I 0.06 M 0.03 L 0.02 HN Overlap>> 1.I58 1.I58 C Shift Assignments>> CA :: 57.591 CB :: 28.993 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.192 HA :: 4.333 HB2 :: 1.933 HB3 :: 2.107 HG2 :: 2.381 HG3 :: 2.381 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.792 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.800 CA :: 63.495 CB :: 31.585 CG :: 26.935 CD :: 50.835 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.470 HB2 :: 2.240 HD2 :: 3.720 HD3 :: 3.720 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.06 G 0.01 A 0.01 HN Overlap>> 1.V92 1.V92 1.E99 1.E99 C Shift Assignments>> C :: 177.560 CA :: 55.426 CB :: 42.052 CG :: 26.925 CD1 :: 24.600 CD2 :: 23.940 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.320 HA :: 4.256 HB2 :: 1.640 HB3 :: 1.640 HG :: 1.530 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.680 Ave N Shift Values>> N :: 121.98(4.07) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.800 CA :: 57.510 CB :: 39.596 CD1 :: 131.815 CD2 :: 131.815 CE1 :: 131.865 CE2 :: 131.865 CZ :: 129.595 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.110 HA :: 4.647 HB2 :: 3.064 HB3 :: 3.105 HD1 :: 7.280 HD2 :: 7.280 HE1 :: 7.385 HE2 :: 7.385 HZ :: 7.310 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.910 Ave N Shift Values>> N :: 120.69(4.18) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.95 M 0.04 C Shift Assignments>> C :: 176.740 CA :: 56.805 CB :: 33.125 CG :: 24.935 CD :: 28.595 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.182 HA :: 4.270 HB2 :: 1.814 HB3 :: 1.814 HG2 :: 1.385 HG3 :: 1.385 HD2 :: 1.698 HD3 :: 1.698 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.850 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 Q 0.2 E 0.06 K 0.03 HN Overlap>> 1.Q112 1.I18 1.Q112 1.I18 C Shift Assignments>> C :: 176.150 CA :: 55.931 CB :: 32.954 CG :: 32.595 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.326 HA :: 4.431 HB2 :: 2.068 HB3 :: 2.068 HG2 :: 2.614 HG3 :: 2.614 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.387 Ave N Shift Values>> N :: 120.1(3.88) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 K 0.13 N 0.11 F 0.09 Y 0.08 R 0.03 HN Overlap>> 1.Q112 1.D6 1.Q112 1.D6 C Shift Assignments>> C :: 176.270 CA :: 54.308 CB :: 41.132 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.419 HA :: 4.608 HB2 :: 2.694 HB3 :: 2.694 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.534 Ave N Shift Values>> N :: 120.73(4.2) 1.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.17 G 0.09 L 0.01 C Shift Assignments>> C :: 176.900 CA :: 56.395 CB :: 30.585 CG :: 26.925 CD :: 43.205 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.330 HA :: 4.260 HB2 :: 1.860 HB3 :: 1.860 HG2 :: 1.620 HG3 :: 1.620 HD2 :: 3.180 HD3 :: 3.180 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.900 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.32 E 0.18 M 0.07 R 0.06 I 0.01 HN Overlap>> 1.E15 1.E15 1.E40 1.Q2 1.Q95 1.E40 1.Q2 1.Q95 C Shift Assignments>> C :: 176.500 CA :: 57.155 CB :: 29.145 CG :: 33.905 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.450 HA :: 4.280 HB2 :: 2.070 HB3 :: 2.070 HG2 :: 2.390 HG3 :: 2.390 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.700 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.32 E 0.13 M 0.1 R 0.07 HN Overlap>> 1.K87 1.E35 1.E43 1.Q42 1.E71 1.K87 1.E35 1.E43 1.Q42 1.E71 C Shift Assignments>> C :: 176.150 CA :: 55.885 CB :: 29.345 CG :: 33.655 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.350 HA :: 4.350 HB2 :: 2.090 HB3 :: 2.090 HG2 :: 2.350 HG3 :: 2.350 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.500 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.15 G 0.03 HN Overlap>> 1.K61 1.L39 1.R69 1.K61 1.L39 1.R69 1.K82 1.L91 1.K68 1.K82 1.L91 1.K68 C Shift Assignments>> C :: 177.330 CA :: 55.860 CB :: 42.409 CG :: 26.925 CD1 :: 25.595 CD2 :: 25.595 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.320 HA :: 4.355 HB2 :: 1.610 HB3 :: 1.610 HG :: 1.570 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.650 Ave N Shift Values>> N :: 121.98(4.07) 1.Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.31 E 0.16 M 0.1 R 0.05 HN Overlap>> 1.D6 1.D107 1.M106 1.D6 1.D107 1.M106 C Shift Assignments>> C :: 175.330 CA :: 55.862 CB :: 29.378 CG :: 33.905 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.380 HA :: 4.355 HB2 :: 2.040 HB3 :: 2.040 HG2 :: 2.390 HG3 :: 2.390 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.485 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 M 0.17 E 0.16 K 0.15 H 0.15 Q 0.09 V 0.04 I 0.01 C Shift Assignments>> CA :: 57.394 CB :: 31.447 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.055 HA :: 4.178 HB2 :: 1.754 HB3 :: 1.873 HG2 :: 1.639 HG3 :: 1.639 HD2 :: 3.201 HD3 :: 3.201 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.029 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) ########################################################################### Overall Results: #Consistent: 113 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 113 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 113 #Suspicious: 0 C Shift Results: #Consistent: 483 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 761 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 109 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0