Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 178.364 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) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 174.599 CA :: 45.030 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.620 HA2 :: 4.031 HA3 :: 3.972 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.824 Ave N Shift Values>> N :: 109.91(4.29) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.498 CB :: 63.709 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.346 HA :: 4.439 HB2 :: 3.856 HB3 :: 3.856 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 :: 115.861 Ave N Shift Values>> N :: 116.3(3.95) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.255 CA :: 58.166 CB :: 63.823 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.556 HA :: 4.416 HB2 :: 3.758 HB3 :: 3.758 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.166 Ave N Shift Values>> N :: 116.3(3.95) 1.H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.15 C 0.11 W 0.11 E 0.1 R 0.1 L 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 174.225 CA :: 55.564 CB :: 28.858 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 :: 8.522 HA :: 4.696 HB2 :: 3.224 HB3 :: 2.887 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 :: 120.378 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.15 C 0.11 W 0.11 E 0.1 R 0.09 L 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 174.226 CA :: 55.448 CB :: 28.944 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 :: 8.642 HA :: 4.534 HB2 :: 3.115 HB3 :: 3.057 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 :: 120.171 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 K 0.13 C 0.11 W 0.11 R 0.11 E 0.11 M 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 174.384 CA :: 55.465 CB :: 29.465 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 :: 8.816 HA :: 4.581 HB2 :: 3.213 HB3 :: 3.136 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 :: 120.672 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.1 L 0.1 H 0.1 Q 0.08 K 0.08 R 0.07 C 0.07 W 0.05 E 0.05 D 0.05 Y 0.05 F 0.04 S 0.02 N 0.02 A 0.02 C Shift Assignments>> C :: 174.511 CA :: 55.960 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 :: 8.890 HA :: 4.498 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 :: 120.934 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.1 H 0.1 L 0.1 Q 0.09 K 0.08 R 0.08 C 0.07 W 0.06 E 0.06 D 0.05 Y 0.05 F 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 174.588 CA :: 55.997 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 :: 8.884 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 :: 121.246 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.15 Q 0.15 K 0.14 W 0.11 C 0.11 E 0.11 R 0.1 M 0.04 L 0.02 I 0.01 C Shift Assignments>> C :: 174.603 CA :: 55.613 CB :: 29.245 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>> HA :: 4.606 HB2 :: 3.375 HB3 :: 3.085 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) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.601 CA :: 58.146 CB :: 63.634 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.669 HA :: 4.452 HB2 :: 3.807 HB3 :: 3.807 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.179 Ave N Shift Values>> N :: 116.3(3.95) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.984 CA :: 58.693 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 :: 8.579 HA :: 4.414 HB2 :: 3.854 HB3 :: 3.854 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.426 Ave N Shift Values>> N :: 116.3(3.95) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.05 C Shift Assignments>> C :: 173.657 CA :: 45.152 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.447 HA2 :: 3.930 HA3 :: 3.930 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.653 Ave N Shift Values>> N :: 109.91(4.29) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.25 R 0.07 G 0.06 A 0.02 C Shift Assignments>> C :: 177.040 CA :: 54.812 CB :: 43.054 CG :: 27.070 CD1 :: 24.741 CD2 :: 23.322 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 :: 8.052 HA :: 4.470 HB2 :: 1.541 HB3 :: 1.445 HG :: 1.484 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.749 HD22 :: 0.749 HD23 :: 0.749 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 :: 121.635 Ave N Shift Values>> N :: 121.98(4.07) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.46 HN Overlap>> 1.K87 1.K87 C Shift Assignments>> C :: 174.224 CA :: 59.144 CB :: 33.019 CG1 :: 20.983 CG2 :: 20.033 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 :: 8.395 HA :: 4.476 HB :: 2.039 HG11 :: 0.908 HG12 :: 0.908 HG13 :: 0.908 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 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 :: 122.033 Ave N Shift Values>> N :: 121.02(4.96) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.854 CA :: 62.921 CB :: 32.052 CG :: 27.615 CD :: 50.188 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 :: 4.522 HB2 :: 2.231 HB3 :: 1.890 HD2 :: 3.532 HD3 :: 3.532 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.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.14 G 0.04 C Shift Assignments>> C :: 176.857 CA :: 56.159 CB :: 31.010 CG :: 26.919 CD :: 43.060 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 :: 8.647 HA :: 4.328 HB2 :: 1.833 HB3 :: 1.712 HG2 :: 1.593 HG3 :: 1.593 HD2 :: 3.045 HD3 :: 3.005 HE :: 7.134 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 :: 122.104 NE :: 84.665 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.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 173.825 CA :: 45.118 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.458 HA2 :: 3.973 HA3 :: 3.973 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.266 Ave N Shift Values>> N :: 109.91(4.29) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.845 CA :: 58.277 CB :: 63.998 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.192 HA :: 4.394 HB2 :: 3.746 HB3 :: 3.746 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 :: 115.043 Ave N Shift Values>> N :: 116.3(3.95) 1.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 K 0.13 C 0.11 W 0.11 R 0.11 E 0.11 M 0.04 L 0.02 I 0.01 C Shift Assignments>> C :: 174.145 CA :: 55.400 CB :: 29.340 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 :: 8.503 HA :: 4.606 HB2 :: 3.109 HB3 :: 3.011 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 :: 119.531 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.33 Q 0.16 E 0.06 K 0.03 C Shift Assignments>> C :: 174.941 CA :: 55.058 CB :: 33.437 CG :: 32.198 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 :: 8.526 HA :: 4.595 HB2 :: 2.084 HB3 :: 2.084 HG2 :: 2.556 HG3 :: 2.556 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 :: 122.315 Ave N Shift Values>> N :: 120.1(3.88) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.02 C Shift Assignments>> C :: 176.104 CA :: 56.382 CB :: 65.786 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.940 HA :: 4.835 HB2 :: 4.031 HB3 :: 3.807 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 :: 116.912 Ave N Shift Values>> N :: 116.3(3.95) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.420 CA :: 65.323 CB :: 31.595 CG1 :: 21.672 CG2 :: 21.097 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 :: 8.915 HA :: 3.849 HB :: 2.229 HG11 :: 1.162 HG12 :: 1.162 HG13 :: 1.162 HG21 :: 1.096 HG22 :: 1.096 HG23 :: 1.096 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 :: 122.089 Ave N Shift Values>> N :: 121.02(4.96) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 F 0.17 Y 0.15 C 0.14 L 0.14 K 0.09 N 0.05 I 0.02 R 0.01 C Shift Assignments>> C :: 176.284 CA :: 56.060 CB :: 40.481 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 :: 8.024 HA :: 4.470 HB2 :: 2.724 HB3 :: 2.438 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 :: 119.257 Ave N Shift Values>> N :: 120.73(4.2) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.17 K 0.16 R 0.13 C 0.1 F 0.06 Y 0.05 N 0.02 C Shift Assignments>> C :: 176.776 CA :: 54.879 CB :: 42.195 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.806 HA :: 4.676 HB2 :: 2.909 HB3 :: 2.909 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.233 Ave N Shift Values>> N :: 120.73(4.2) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 174.597 CA :: 62.299 CB :: 36.120 CG1 :: 27.723 CG2 :: 18.426 CD1 :: 11.944 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.468 HA :: 3.824 HB :: 2.095 HG12 :: 1.513 HG13 :: 1.091 HG21 :: 0.519 HG22 :: 0.519 HG23 :: 0.519 HD11 :: 0.613 HD12 :: 0.613 HD13 :: 0.613 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.755 Ave N Shift Values>> N :: 121.6(4.72) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.46 G 0.04 A 0.01 C Shift Assignments>> C :: 175.545 CA :: 59.059 CB :: 42.458 CG1 :: 26.132 CG2 :: 17.385 CD1 :: 13.924 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.044 HA :: 4.757 HB :: 2.049 HG12 :: 1.448 HG13 :: 0.973 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 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 :: 120.336 Ave N Shift Values>> N :: 121.6(4.72) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 176.099 CA :: 63.749 CB :: 37.719 CG1 :: 28.367 CG2 :: 17.798 CD1 :: 13.215 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 :: 8.166 HA :: 3.452 HB :: 1.732 HG12 :: 1.596 HG13 :: 1.022 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 HD11 :: 0.948 HD12 :: 0.948 HD13 :: 0.948 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 :: 120.094 Ave N Shift Values>> N :: 121.6(4.72) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.28 K 0.28 C Shift Assignments>> C :: 177.259 CA :: 59.100 CB :: 29.763 CG :: 26.050 CD :: 28.656 CE :: 41.667 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 :: 8.978 HA :: 3.689 HB2 :: 2.436 HB3 :: 2.008 HG2 :: 1.495 HG3 :: 1.495 HD2 :: 1.653 HD3 :: 1.606 HE2 :: 2.926 HE3 :: 2.926 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.074 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 C 0.14 W 0.12 R 0.09 K 0.08 E 0.07 Q 0.06 H 0.05 P 0.04 V 0.01 L 0.01 C Shift Assignments>> C :: 173.271 CA :: 60.466 CB :: 28.292 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.815 HA :: 4.831 HB2 :: 2.721 HB3 :: 2.564 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.747 Ave N Shift Values>> N :: 119.95(4.79) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 C 0.27 Q 0.23 K 0.12 E 0.05 R 0.01 HN Overlap>> 1.D75 1.D75 C Shift Assignments>> C :: 174.975 CA :: 53.611 CB :: 30.760 CG :: 33.434 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 :: 8.513 HA :: 5.631 HB2 :: 1.704 HB3 :: 1.629 HG2 :: 2.216 HG3 :: 1.779 HE21 :: 7.315 HE22 :: 6.322 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 :: 117.650 NE2 :: 107.687 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.15 C 0.14 H 0.14 R 0.14 W 0.1 K 0.1 E 0.08 Q 0.08 C Shift Assignments>> C :: 171.243 CA :: 54.862 CB :: 31.253 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.061 HA :: 4.887 HB2 :: 2.792 HB3 :: 2.792 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.873 Ave N Shift Values>> N :: 119.95(4.79) 1.W33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.43 C Shift Assignments>> C :: 175.157 CA :: 57.778 CB :: 29.222 CE3 :: 118.785 CZ2 :: 114.870 CZ3 :: 122.068 CH2 :: 124.338 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.634 HA :: 4.586 HB2 :: 3.110 HB3 :: 2.989 HE1 :: 10.367 HE3 :: 7.071 HZ2 :: 7.460 HZ3 :: 7.091 HH2 :: 7.210 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 124.043 NE1 :: 130.106 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.21 C Shift Assignments>> C :: 175.723 CA :: 59.678 CB :: 36.024 CG1 :: 22.614 CG2 :: 23.190 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 :: 9.097 HA :: 4.886 HB :: 1.935 HG11 :: 0.937 HG12 :: 0.937 HG13 :: 0.937 HG21 :: 0.701 HG22 :: 0.701 HG23 :: 0.701 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 :: 122.749 Ave N Shift Values>> N :: 121.02(4.96) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.25 C 0.24 E 0.08 M 0.07 R 0.07 C Shift Assignments>> C :: 175.155 CA :: 56.088 CB :: 29.156 CG :: 33.402 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.037 HA :: 4.537 HB2 :: 2.107 HB3 :: 2.042 HG2 :: 2.362 HG3 :: 2.362 HE21 :: 7.476 HE22 :: 6.674 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.952 NE2 :: 110.979 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.37 R 0.11 M 0.02 C Shift Assignments>> C :: 174.257 CA :: 54.568 CB :: 33.582 CG :: 24.169 CD :: 28.201 CE :: 41.651 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 :: 8.877 HA :: 4.376 HB2 :: 1.349 HB3 :: 1.349 HG2 :: 0.864 HG3 :: 0.536 HD2 :: 1.425 HD3 :: 1.343 HE2 :: 2.591 HE3 :: 2.517 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 :: 128.905 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.21 N 0.13 Y 0.1 M 0.09 F 0.04 K 0.04 D 0.01 I 0.01 Q 0.01 C Shift Assignments>> C :: 174.350 CA :: 55.127 CB :: 36.512 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 :: 9.467 HA :: 4.176 HB2 :: 2.911 HB3 :: 2.911 HD21 :: 7.538 HD22 :: 6.970 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 :: 125.555 ND2 :: 112.766 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.16 C 0.14 F 0.13 Y 0.13 L 0.11 K 0.03 I 0.01 C Shift Assignments>> C :: 174.602 CA :: 54.915 CB :: 39.969 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 :: 8.613 HA :: 4.508 HB2 :: 2.782 HB3 :: 2.782 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.875 Ave N Shift Values>> N :: 120.73(4.2) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.34 E 0.14 Q 0.03 C Shift Assignments>> C :: 174.595 CA :: 54.452 CB :: 33.049 CG :: 35.476 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.866 HA :: 4.704 HB2 :: 2.034 HB3 :: 1.978 HG2 :: 2.296 HG3 :: 2.129 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 :: 118.612 Ave N Shift Values>> N :: 120.68(3.68) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.25 M 0.2 I 0.01 C Shift Assignments>> C :: 176.107 CA :: 55.312 CB :: 32.460 CG :: 37.000 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 :: 8.422 HA :: 5.193 HB2 :: 2.038 HB3 :: 1.913 HG2 :: 2.268 HG3 :: 2.097 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 :: 119.963 Ave N Shift Values>> N :: 120.68(3.68) 1.R41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 K 0.17 G 0.1 R 0.08 C Shift Assignments>> C :: 174.208 CA :: 54.190 CB :: 35.285 CG :: 26.664 CD :: 42.987 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 :: 9.466 HA :: 4.913 HB2 :: 1.815 HB3 :: 1.490 HG2 :: 1.615 HG3 :: 1.347 HD2 :: 2.228(S) HD3 :: 1.821(S) HE :: 7.276 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 :: 122.368 NE :: 84.949 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.L42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.46 C 0.29 A 0.22 R 0.01 C Shift Assignments>> C :: 175.919 CA :: 54.818 CB :: 41.633 CG :: 25.818 CD1 :: 25.251 CD2 :: 21.311 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.983 HA :: 3.464 HB2 :: 1.162 HB3 :: 0.045(S) HG :: 0.703 HD11 :: 0.433 HD12 :: 0.433 HD13 :: 0.433 HD21 :: -0.185(S) HD22 :: -0.185(S) HD23 :: -0.185(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.949 Ave N Shift Values>> N :: 121.98(4.07) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 L 0.22 C 0.19 M 0.09 K 0.01 C Shift Assignments>> C :: 174.409 CA :: 50.017 CB :: 22.437 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.468 HA :: 5.019 HB1 :: 0.815 HB2 :: 0.815 HB3 :: 0.815 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.709 Ave N Shift Values>> N :: 123.23(3.7) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 M 0.2 E 0.12 C Shift Assignments>> C :: 175.724 CA :: 53.828 CB :: 33.301 CG :: 36.931 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.176 HA :: 4.915 HB2 :: 1.667 HB3 :: 1.871 HG2 :: 1.896 HG3 :: 1.846 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 :: 120.351 Ave N Shift Values>> N :: 120.68(3.68) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 I 0.16 C Shift Assignments>> C :: 175.908 CA :: 59.714 CB :: 35.329 CG1 :: 26.669 CG2 :: 18.586 CD1 :: 9.465 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 :: 8.386 HA :: 3.855 HB :: 2.179 HG12 :: 1.346 HG13 :: 0.959 HG21 :: 0.713 HG22 :: 0.713 HG23 :: 0.713 HD11 :: 0.261 HD12 :: 0.261 HD13 :: 0.261 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 :: 124.017 Ave N Shift Values>> N :: 121.6(4.72) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.26 G 0.11 R 0.1 A 0.06 C Shift Assignments>> C :: 177.641 CA :: 55.660 CB :: 43.561 CG :: 26.860 CD1 :: 25.646 CD2 :: 21.991 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.445 HA :: 4.515 HB2 :: 1.641 HB3 :: 1.486 HG :: 1.510 HD11 :: 0.615 HD12 :: 0.615 HD13 :: 0.615 HD21 :: 0.672 HD22 :: 0.672 HD23 :: 0.672 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 :: 129.284 Ave N Shift Values>> N :: 121.98(4.07) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.140 CA :: 57.757 CB :: 64.871 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.659 HA :: 4.508 HB2 :: 3.656 HB3 :: 3.573 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.492 Ave N Shift Values>> N :: 116.3(3.95) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.26 C Shift Assignments>> C :: 174.984 CA :: 61.360 CB :: 41.569 CG1 :: 27.260 CG2 :: 17.159 CD1 :: 13.956 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 :: 8.585 HA :: 4.645 HB :: 1.639 HG12 :: 1.351 HG13 :: 0.942 HG21 :: 0.652 HG22 :: 0.652 HG23 :: 0.652 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 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 :: 123.439 Ave N Shift Values>> N :: 121.6(4.72) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.2 C 0.14 Y 0.04 F 0.04 L 0.03 C Shift Assignments>> C :: 175.920 CA :: 51.609 CB :: 39.136 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 :: 9.157 HA :: 5.124 HB2 :: 2.681 HB3 :: 2.524 HD21 :: 6.967 HD22 :: 6.612 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 :: 125.458 ND2 :: 109.781 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.11 S 0.01 C Shift Assignments>> C :: 175.165 CA :: 60.770 CB :: 68.265 CG2 :: 21.630 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 :: 8.731 HA :: 4.374 HB :: 4.574 HG21 :: 1.124 HG22 :: 1.124 HG23 :: 1.124 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.240 Ave N Shift Values>> N :: 115.7(5.05) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.11 G 0.04 L 0.02 C Shift Assignments>> C :: 176.761 CA :: 58.224 CB :: 29.613 CG :: 27.467 CD :: 42.893 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 :: 8.263 HA :: 4.023 HB2 :: 1.862 HB3 :: 1.823 HG2 :: 1.695 HG3 :: 1.591 HD2 :: 3.151 HD3 :: 3.151 HE :: 7.246 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 :: 122.196 NE :: 84.651 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.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.39 R 0.07 M 0.01 C Shift Assignments>> C :: 173.661 CA :: 53.810 CB :: 34.671 CG :: 24.600 CD :: 28.501 CE :: 41.669 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.204 HA :: 4.307 HB2 :: 1.668 HB3 :: 1.458 HG2 :: 1.205 HG3 :: 1.205 HD2 :: 1.565 HD3 :: 1.502 HE2 :: 2.832 HE3 :: 2.832 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.607 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 G 0.07 M 0.04 C 0.03 C Shift Assignments>> C :: 175.910 CA :: 48.952 CB :: 19.604 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.115 HA :: 4.362 HB1 :: 1.235 HB2 :: 1.235 HB3 :: 1.235 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.563 Ave N Shift Values>> N :: 123.23(3.7) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.47 C Shift Assignments>> CA :: 61.910 CB :: 32.735 CG :: 25.048 CD :: 50.298 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 :: 4.926 HB2 :: 2.543 HB3 :: 2.287 HG2 :: 1.949 HG3 :: 1.994 HD2 :: 3.661 HD3 :: 3.775 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.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.537 CA :: 62.885 CB :: 32.383 CG :: 27.233 CD :: 50.934 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 :: 4.506 HB2 :: 1.962 HB3 :: 1.374 HG2 :: 2.021 HG3 :: 1.922 HD2 :: 3.794 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.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.28 K 0.17 C Shift Assignments>> C :: 175.144 CA :: 54.517 CB :: 37.338 CG :: 25.558 CD :: 29.250 CE :: 41.646 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.443 HA :: 5.150 HB2 :: 2.054 HB3 :: 1.518 HG2 :: 1.542 HG3 :: 1.379 HD2 :: 1.466 HD3 :: 1.466 HE2 :: 2.699 HE3 :: 2.652 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.985 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 F 0.11 Y 0.05 G 0.04 C Shift Assignments>> C :: 172.917 CA :: 56.046 CB :: 42.125 CD1 :: 133.642 CD2 :: 133.642 CE1 :: 132.863 CE2 :: 132.863 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 :: 8.875 HA :: 5.289 HB2 :: 2.624 HB3 :: 2.699 HD1 :: 6.947 HD2 :: 6.947 HE1 :: 6.679 HE2 :: 6.679 HZ :: 6.435 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 :: 118.585 Ave N Shift Values>> N :: 120.69(4.18) 1.Y58 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.53 C 0.45 C Shift Assignments>> C :: 175.346 CA :: 55.950 CB :: 37.647 CD1 :: 132.350 CD2 :: 132.350 CE1 :: 116.740 CE2 :: 116.740 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 :: 8.683 HA :: 4.339 HB2 :: 1.919 HB3 :: -0.072(A) HD1 :: 5.596 HD2 :: 5.596 HE1 :: 6.389 HE2 :: 6.389 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 :: 128.969 Ave N Shift Values>> N :: 120.79(4.69) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.05 A 0.05 C Shift Assignments>> C :: 172.150 CA :: 57.703 CB :: 34.566 CG1 :: 21.088 CG2 :: 17.142 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 :: 8.277 HA :: 5.083 HB :: 1.360 HG11 :: 0.475 HG12 :: 0.475 HG13 :: 0.475 HG21 :: 0.169 HG22 :: 0.169 HG23 :: 0.169 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 :: 119.531 Ave N Shift Values>> N :: 121.02(4.96) 1.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 C 0.37 W 0.2 C Shift Assignments>> C :: 174.222 CA :: 52.396 CB :: 31.505 CD2 :: 119.172 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.996 HA :: 4.859 HB2 :: 2.922 HB3 :: 2.668 HD2 :: 7.032 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 :: 115.756 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.25 Y 0.14 I 0.11 F 0.07 M 0.04 K 0.03 V 0.02 C Shift Assignments>> CA :: 58.849 CB :: 36.423 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 :: 8.124 HA :: 4.214 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 :: 127.494 Ave N Shift Values>> N :: 120.79(4.69) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.92 C 0.07 C Shift Assignments>> CA :: 65.242 CB :: 31.400 CG1 :: 20.922 CG2 :: 20.436 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>> HA :: 3.299 HB :: 1.636 HG11 :: 0.733 HG12 :: 0.733 HG13 :: 0.733 HG21 :: 0.836 HG22 :: 0.836 HG23 :: 0.836 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) 1.N63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.44 C 0.2 P 0.15 I 0.08 E 0.02 W 0.01 K 0.01 Y 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 176.091 CA :: 62.670 CB :: 34.373 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>> HA :: 4.683 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) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.09 E 0.09 R 0.09 W 0.08 K 0.08 Y 0.07 Q 0.07 F 0.07 H 0.07 M 0.06 S 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> CA :: 57.256 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 :: 8.746 HA :: 4.634 HB2 :: 2.947 HB3 :: 2.947 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.858 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.39 C 0.38 R 0.17 M 0.03 C Shift Assignments>> C :: 177.794 CA :: 58.117 CB :: 31.917 CG :: 24.261 CD :: 28.993 CE :: 41.549 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.513 HB2 :: 1.949 HB3 :: 1.794 HG2 :: 1.456 HG3 :: 1.396 HD2 :: 1.613 HD3 :: 1.613 HE2 :: 2.921 HE3 :: 2.921 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) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.09 G 0.04 L 0.03 C Shift Assignments>> C :: 177.057 CA :: 58.169 CB :: 29.351 CG :: 27.600 CD :: 43.009 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 :: 9.262 HA :: 4.244 HB2 :: 1.904 HB3 :: 1.830 HG2 :: 1.623 HG3 :: 1.623 HD2 :: 3.200 HD3 :: 3.159 HE :: 7.340 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 :: 121.346 NE :: 84.053 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.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.29 R 0.08 A 0.04 C Shift Assignments>> C :: 175.933 CA :: 54.618 CB :: 41.414 CG :: 27.674 CD1 :: 25.823 CD2 :: 22.921 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.768 HA :: 4.385 HB2 :: 2.080 HB3 :: 1.731 HG :: 1.635 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 HD21 :: 0.786 HD22 :: 0.786 HD23 :: 0.786 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.802 Ave N Shift Values>> N :: 121.98(4.07) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.2 F 0.16 N 0.15 D 0.12 E 0.04 L 0.04 I 0.03 M 0.01 C Shift Assignments>> C :: 176.479 CA :: 55.705 CB :: 38.684 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.594 HA :: 4.435 HB2 :: 2.607 HB3 :: 2.149 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.149 Ave N Shift Values>> N :: 120.73(4.2) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.32 Q 0.15 E 0.08 K 0.02 C Shift Assignments>> C :: 174.221 CA :: 54.790 CB :: 32.220 CG :: 33.892 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.470 HA :: 4.809 HB2 :: 2.125 HB3 :: 2.125 HG2 :: 2.372 HG3 :: 2.372 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.768 Ave N Shift Values>> N :: 120.68(3.68) 1.W71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.47 C 0.46 H 0.05 C Shift Assignments>> C :: 177.230 CA :: 56.761 CB :: 30.271 CD1 :: 128.101 CE3 :: 120.365 CZ2 :: 115.365 CZ3 :: 122.336 CH2 :: 123.942 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.759 HA :: 5.436 HB2 :: 3.281 HB3 :: 2.996 HD1 :: 7.476 HE1 :: 10.115 HE3 :: 7.369 HZ2 :: 7.232 HZ3 :: 6.759 HH2 :: 6.983 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.352 NE1 :: 131.576 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.3 G 0.06 A 0.01 C Shift Assignments>> C :: 175.173 CA :: 59.138 CB :: 42.532 CG1 :: 26.305 CG2 :: 17.783 CD1 :: 16.239 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 :: 10.032 HA :: 5.070 HB :: 1.921 HG12 :: 1.525 HG13 :: 1.260 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.656 HD12 :: 0.656 HD13 :: 0.656 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.372 Ave N Shift Values>> N :: 121.6(4.72) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 176.849 CA :: 59.802 CB :: 70.238 CG2 :: 22.706 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.309 HA :: 5.011 HB :: 4.630 HG21 :: 1.324 HG22 :: 1.324 HG23 :: 1.324 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 :: 109.484 Ave N Shift Values>> N :: 115.7(5.05) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.934 CA :: 66.612 CB :: 68.907 CG2 :: 22.650 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 :: 8.963 HA :: 3.777 HB :: 4.238 HG21 :: 1.235 HG22 :: 1.235 HG23 :: 1.235 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 :: 113.804 Ave N Shift Values>> N :: 115.7(5.05) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 C 0.15 N 0.15 Y 0.14 F 0.14 L 0.1 K 0.02 I 0.01 HN Overlap>> 1.Q31 1.Q31 C Shift Assignments>> C :: 176.291 CA :: 55.117 CB :: 39.799 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 :: 8.458 HA :: 4.417 HB2 :: 2.709 HB3 :: 2.709 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.578 Ave N Shift Values>> N :: 120.73(4.2) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.35 K 0.09 G 0.07 L 0.01 C Shift Assignments>> C :: 176.111 CA :: 55.879 CB :: 30.371 CG :: 26.636 CD :: 43.347 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.543 HA :: 4.338 HB2 :: 2.398 HB3 :: 2.398 HG2 :: 1.902 HG3 :: 1.749 HD2 :: 3.357 HD3 :: 3.263 HE :: 7.114 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.418 NE :: 82.878 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.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 175.170 CA :: 61.662 CB :: 38.548 CG2 :: 17.197 CD1 :: 13.261 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.576 HA :: 4.153 HB :: 1.746 HG12 :: 1.512 HG13 :: 1.512 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 HD11 :: 0.264 HD12 :: 0.264 HD13 :: 0.264 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 :: 119.980 Ave N Shift Values>> N :: 121.6(4.72) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.3 M 0.05 Y 0.03 E 0.03 D 0.02 F 0.02 K 0.01 C Shift Assignments>> C :: 175.899 CA :: 51.587 CB :: 36.677 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 :: 8.998 HA :: 4.799 HB2 :: 3.059 HB3 :: 2.579 HD21 :: 8.698 HD22 :: 7.016 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 :: 125.548 ND2 :: 112.691 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.36 A 0.05 R 0.01 C Shift Assignments>> C :: 177.037 CA :: 55.213 CB :: 40.460 CG :: 26.698 CD1 :: 25.850 CD2 :: 22.610 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 :: 8.480 HA :: 4.272 HB2 :: 1.693 HB3 :: 1.648 HG :: 1.562 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 HD21 :: 0.619 HD22 :: 0.619 HD23 :: 0.619 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 :: 125.829 Ave N Shift Values>> N :: 121.98(4.07) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.17 C 0.12 F 0.11 K 0.11 Y 0.09 N 0.09 R 0.02 C Shift Assignments>> C :: 176.473 CA :: 54.890 CB :: 40.823 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 :: 8.402 HA :: 4.707 HB2 :: 2.753 HB3 :: 2.753 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.726 Ave N Shift Values>> N :: 120.73(4.2) 1.K81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 K 0.37 R 0.16 C Shift Assignments>> C :: 174.933 CA :: 55.003 CB :: 35.414 CG :: 25.982 CD :: 28.737 CE :: 41.329 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.002 HA :: 4.315 HB2 :: 1.818 HB3 :: 1.637 HG2 :: 1.194 HG3 :: 1.021 HD2 :: 1.153 HD3 :: 0.766(S) HE2 :: 2.337 HE3 :: 2.198(S) 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 :: 120.046 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 M 0.11 K 0.09 Q 0.07 I 0.04 C Shift Assignments>> C :: 175.727 CA :: 57.238 CB :: 30.328 CG :: 35.873 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 :: 8.188 HA :: 4.061 HB2 :: 2.001 HB3 :: 1.969 HG2 :: 2.277 HG3 :: 2.277 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 :: 118.397 Ave N Shift Values>> N :: 120.68(3.68) 1.V83 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 :: 174.977 CA :: 61.404 CB :: 34.003 CG1 :: 21.522 CG2 :: 21.338 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 :: 8.017 HA :: 4.408 HB :: 1.907 HG11 :: 0.923 HG12 :: 0.923 HG13 :: 0.923 HG21 :: 0.605 HG22 :: 0.605 HG23 :: 0.605 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.339 Ave N Shift Values>> N :: 121.02(4.96) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.19 G 0.09 R 0.05 A 0.03 C Shift Assignments>> C :: 176.486 CA :: 53.499 CB :: 43.250 CG :: 27.010 CD1 :: 24.930 CD2 :: 23.388 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 :: 8.791 HA :: 4.692 HB2 :: 1.615 HB3 :: 1.393 HG :: 1.550 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.751 HD22 :: 0.751 HD23 :: 0.751 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 :: 126.802 Ave N Shift Values>> N :: 121.98(4.07) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 174.028 CA :: 55.850 CB :: 39.148 CD1 :: 132.890 CD2 :: 132.890 CE1 :: 118.007 CE2 :: 118.007 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 :: 8.973 HA :: 4.879 HB2 :: 3.024 HB3 :: 2.820 HD1 :: 7.069 HD2 :: 7.069 HE1 :: 6.752 HE2 :: 6.752 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.252 Ave N Shift Values>> N :: 120.79(4.69) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.482 CA :: 62.584 CB :: 31.934 CG :: 27.174 CD :: 50.542 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 :: 4.454 HB2 :: 2.128 HB3 :: 1.889 HG2 :: 1.998 HG3 :: 1.972 HD2 :: 3.594 HD3 :: 3.444 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.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.15 M 0.03 HN Overlap>> 1.V15 1.V15 C Shift Assignments>> C :: 176.475 CA :: 56.170 CB :: 32.875 CG :: 24.880 CD :: 29.020 CE :: 41.726 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 :: 8.395 HA :: 4.231 HB2 :: 1.771 HB3 :: 1.671 HG2 :: 1.433 HG3 :: 1.380 HD2 :: 1.653 HD3 :: 1.653 HE2 :: 2.952 HE3 :: 2.952 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 :: 122.085 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.27 R 0.06 G 0.02 A 0.01 C Shift Assignments>> C :: 177.040 CA :: 54.931 CB :: 42.500 CG :: 26.992 CD1 :: 24.763 CD2 :: 23.671 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 :: 8.338 HA :: 4.328 HB2 :: 1.601 HB3 :: 1.533 HG :: 1.588 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.812 Ave N Shift Values>> N :: 121.98(4.07) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.38 R 0.12 M 0.03 C Shift Assignments>> C :: 176.196 CA :: 55.700 CB :: 33.260 CG :: 24.619 CD :: 28.975 CE :: 41.726 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 :: 8.309 HA :: 4.285 HB2 :: 1.790 HB3 :: 1.705 HG2 :: 1.403 HG3 :: 1.403 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.941 HE3 :: 2.941 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 :: 122.728 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.21 C 0.02 C Shift Assignments>> C :: 177.979 CA :: 52.619 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 :: 8.529 HA :: 4.335 HB1 :: 1.398 HB2 :: 1.398 HB3 :: 1.398 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.469 Ave N Shift Values>> N :: 123.23(3.7) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.414 CA :: 61.620 CB :: 69.582 CG2 :: 21.457 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 :: 8.111 HA :: 4.306 HB :: 4.247 HG21 :: 1.171 HG22 :: 1.171 HG23 :: 1.171 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.200 Ave N Shift Values>> N :: 115.7(5.05) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 C 0.13 L 0.13 F 0.13 N 0.12 Y 0.12 K 0.06 I 0.01 C Shift Assignments>> C :: 175.915 CA :: 54.990 CB :: 40.291 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 :: 8.311 HA :: 4.600 HB2 :: 2.973 HB3 :: 2.624 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.581 Ave N Shift Values>> N :: 120.73(4.2) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 M 0.14 K 0.06 Q 0.05 I 0.02 C Shift Assignments>> C :: 175.353 CA :: 56.027 CB :: 30.581 CG :: 36.137 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 :: 8.114 HA :: 4.299 HB2 :: 2.068 HB3 :: 1.856 HG2 :: 2.208 HG3 :: 2.208 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 :: 120.552 Ave N Shift Values>> N :: 120.68(3.68) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 D 0.13 R 0.13 C 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> C :: 180.985 CA :: 55.925 CB :: 42.025 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.990 HA :: 4.332 HB2 :: 2.640 HB3 :: 2.533 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 :: 126.794 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 90 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 92 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 94 #Suspicious: 0 C Shift Results: #Consistent: 396 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 618 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 1 N Shift Results: #Consistent: 96 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R41 HD2 = 2.228(S), Expected = 3.13, Std = 0.2300, ChiSquare = 8.7912e-05 1.R41 HD3 = 1.821(S), Expected = 3.13, Std = 0.2200, ChiSquare = 2.6814e-09 1.L42 HB3 = 0.045(S), Expected = 1.57, Std = 0.3600, ChiSquare = 2.2742e-05 1.L42 HD21 = -0.185(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.3816e-04 1.L42 HD22 = -0.185(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.3816e-04 1.L42 HD23 = -0.185(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.3816e-04 1.Y58 HB3 = -0.072(A), Expected = 2.91, Std = 0.3700, ChiSquare = 7.6633e-16 1.K81 HD3 = 0.766(S), Expected = 1.61, Std = 0.2500, ChiSquare = 7.3548e-04 1.K81 HE3 = 2.198(S), Expected = 2.93, Std = 0.2000, ChiSquare = 2.5222e-04