S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.38 C 0.35 Q 0.16 E 0.04 K 0.04 C Shift Assignments>> CA :: 56.102 CB :: 32.940 CG :: 32.078 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>> HA :: 4.474 HB2 :: 2.062 HB3 :: 2.073 HG2 :: 2.575 HG3 :: 2.593 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) Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.12 M 0.07 R 0.04 C Shift Assignments>> C :: 176.169 CA :: 56.245 CB :: 29.345 CG :: 33.810 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 :: 8.518 HA :: 4.280 HB2 :: 1.993 HB3 :: 2.062 HG2 :: 2.363 HG3 :: 2.363 HE21 :: 6.824 HE22 :: 7.525 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 :: 121.436 NE2 :: 111.639 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.681 CA :: 58.503 CB :: 63.179 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.306 HA :: 4.362 HB2 :: 3.819 HB3 :: 3.820 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.181 Ave N Shift Values>> N :: 116.3(3.95) L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.28 R 0.09 G 0.02 A 0.01 C Shift Assignments>> C :: 177.574 CA :: 55.344 CB :: 42.354 CG :: 27.095 CD1 :: 23.759 CD2 :: 25.191 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 :: 8.225 HA :: 4.293 HB2 :: 1.561 HB3 :: 1.609 HG :: 1.604 HD1 :: 0.823 HD2 :: 0.868 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 :: 124.318 Ave N Shift Values>> N :: 121.98(4.07) K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.22 M 0.03 G 0.01 C Shift Assignments>> C :: 177.485 CA :: 56.369 CB :: 32.640 CG :: 25.148 CD :: 29.423 CE :: 42.319 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 :: 8.201 HA :: 4.224 HB2 :: 1.694 HB3 :: 1.837 HG2 :: 1.386 HG3 :: 1.388 HD2 :: 1.811 HD3 :: 1.811 HE2 :: 2.964 HE3 :: 2.964 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 :: 121.351 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.006 CA :: 60.385 CB :: 62.894 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.384 HA :: 3.974 HB2 :: 3.550 HB3 :: 3.550 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.594 Ave N Shift Values>> N :: 116.3(3.95) T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.162 CA :: 64.442 CB :: 68.005 CG2 :: 21.848 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 :: 8.202 HA :: 3.735 HB :: 3.045 HG2 :: 0.527 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 :: 113.062 Ave N Shift Values>> N :: 115.7(5.05) A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 180.725 CA :: 54.542 CB :: 18.147 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.385 HA :: 4.114 HB :: 1.374 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.221 Ave N Shift Values>> N :: 123.23(3.7) K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.23 M 0.01 G 0.01 C Shift Assignments>> C :: 179.336 CA :: 59.173 CB :: 31.788 CG :: 25.536 CD :: 29.211 CE :: 42.208 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 :: 7.636 HA :: 4.113 HB2 :: 1.922 HB3 :: 2.002 HG2 :: 1.415 HG3 :: 1.453 HD2 :: 1.747 HD3 :: 1.739 HE2 :: 3.014 HE3 :: 3.014 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 :: 118.750 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) W11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.46 H 0.01 C Shift Assignments>> C :: 177.213 CA :: 57.338 CB :: 30.165 CD1 :: 124.818 CE3 :: 119.536 CZ2 :: 114.742 CZ3 :: 120.470 CH2 :: 124.339 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 :: 8.272 HA :: 4.460 HB2 :: 3.035 HB3 :: 3.055 HD1 :: 6.877 HE1 :: 10.923 HE3 :: 7.604 HZ2 :: 7.270 HZ3 :: 6.969 HH2 :: 6.834 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 :: 118.717 NE1 :: 129.742 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 C 0.02 C Shift Assignments>> C :: 176.831 CA :: 52.093 CB :: 18.975 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.777 HA :: 4.237 HB :: 1.450 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.164 Ave N Shift Values>> N :: 123.23(3.7) A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.39 C 0.03 L 0.01 I 0.01 C Shift Assignments>> C :: 178.707 CA :: 54.299 CB :: 19.211 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.605 HA :: 4.220 HB :: 1.546 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.542 Ave N Shift Values>> N :: 123.23(3.7) S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.484 CA :: 57.935 CB :: 64.734 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.120 HA :: 4.482 HB3 :: 4.172 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 :: 108.518 Ave N Shift Values>> N :: 116.3(3.95) L15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 L 0.32 A 0.02 C Shift Assignments>> C :: 177.820 CA :: 56.839 CB :: 39.096 CG :: 25.964 CD1 :: 26.329 CD2 :: 22.594 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 :: 8.771 HA :: 3.202 HB2 :: 0.852 HB3 :: 0.865 HG :: 0.722 HD1 :: -0.484(S) HD2 :: 0.054 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 :: 123.903 Ave N Shift Values>> N :: 121.98(4.07) E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.28 E 0.08 C Shift Assignments>> C :: 178.679 CA :: 61.435 CB :: 28.160 CG :: 37.593 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 :: 9.785 HA :: 3.650 HB2 :: 1.898 HB3 :: 1.902 HG2 :: 2.160 HG3 :: 2.467 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 :: 118.401 Ave N Shift Values>> N :: 120.68(3.68) N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 Y 0.19 F 0.16 D 0.15 N 0.15 L 0.05 I 0.02 E 0.02 C Shift Assignments>> C :: 178.132 CA :: 55.624 CB :: 39.028 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.691 HA :: 4.266 HB2 :: 2.659 HB3 :: 3.232 HD21 :: 7.127 HD22 :: 7.484 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.497 ND2 :: 110.418 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.42 R 0.05 C Shift Assignments>> C :: 177.055 CA :: 59.197 CB :: 41.271 CG :: 27.282 CD1 :: 24.802 CD2 :: 25.245 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 :: 7.459 HA :: 3.836 HB2 :: 1.717 HB3 :: 1.809 HG :: 0.763 HD1 :: 0.313 HD2 :: 0.012 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 :: 121.826 Ave N Shift Values>> N :: 121.98(4.07) L19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.45 C 0.45 A 0.08 C Shift Assignments>> C :: 177.460 CA :: 56.059 CB :: 40.442 CG :: 25.711 CD1 :: 23.923 CD2 :: 21.841 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 :: 7.698 HA :: 3.664 HB2 :: 1.096 HB3 :: 1.265 HG :: 1.300 HD1 :: -0.528(S) HD2 :: 0.371 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 :: 111.995 Ave N Shift Values>> N :: 121.98(4.07) E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 M 0.1 K 0.08 Q 0.05 I 0.03 C Shift Assignments>> C :: 175.755 CA :: 56.150 CB :: 30.207 CG :: 36.255 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 :: 7.247 HA :: 4.235 HB2 :: 2.107 HB3 :: 2.111 HG2 :: 2.448 HG3 :: 2.448 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 :: 115.455 Ave N Shift Values>> N :: 120.68(3.68) D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.1 L 0.09 D 0.05 R 0.04 N 0.01 C Shift Assignments>> C :: 174.461 CA :: 50.196 CB :: 43.733 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 :: 7.463 HA :: 5.230 HB2 :: 2.784 HB3 :: 3.183 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 :: 121.693 Ave N Shift Values>> N :: 120.73(4.2) P22 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 :: 180.053 CA :: 65.300 CB :: 32.495 CD :: 50.829 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 :: 4.220 HB2 :: 2.078 HB3 :: 2.471 HG2 :: 2.250 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) E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.12 K 0.11 Q 0.05 M 0.02 HN Overlap>> K102 C Shift Assignments>> C :: 178.652 CA :: 58.447 CB :: 29.165 CG :: 36.018 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 :: 8.352 HA :: 4.161 HB2 :: 2.315 HB3 :: 2.330 HG2 :: 2.491 HG3 :: 2.517 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.336 Ave N Shift Values>> N :: 120.68(3.68) G24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 175.569 CA :: 46.280 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.643 HA2 :: 1.976(S) HA3 :: 2.602(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.103 Ave N Shift Values>> N :: 109.91(4.29) V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.691 CA :: 67.387 CB :: 31.539 CG1 :: 21.960 CG2 :: 24.940 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 :: 8.423 HA :: 3.195 HB :: 2.048 HG1 :: 0.891 HG2 :: 1.059 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 :: 122.064 Ave N Shift Values>> N :: 121.02(4.96) K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 R 0.21 K 0.07 V 0.03 G 0.02 C Shift Assignments>> C :: 179.418 CA :: 60.224 CB :: 32.457 CG :: 24.997 CD :: 24.997 CE :: 42.120 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 :: 7.455 HA :: 3.827 HB2 :: 1.916 HB3 :: 1.920 HG2 :: 1.397 HG3 :: 1.589 HD2 :: 1.618 HD3 :: 1.618 HE2 :: 2.964 HE3 :: 3.037 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 :: 118.759 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.12 G 0.04 L 0.01 HN Overlap>> D49 C Shift Assignments>> C :: 178.281 CA :: 58.230 CB :: 29.893 CG :: 27.518 CD :: 43.007 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 :: 7.532 HA :: 4.257 HB2 :: 1.917 HB3 :: 2.049 HG2 :: 1.923 HG3 :: 1.973 HD2 :: 3.300 HD3 :: 3.319 HE :: 7.724 HH12 :: 7.724 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 :: 118.056 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 HN Overlap>> K33 C Shift Assignments>> C :: 178.026 CA :: 58.092 CB :: 39.756 CD1 :: 131.028 CD2 :: 131.028 CE1 :: 130.455 CE2 :: 130.455 CZ :: 130.626 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 :: 8.696 HA :: 3.859 HB2 :: 2.440 HB3 :: 2.567 HD1 :: 6.311 HD2 :: 6.311 HE1 :: 7.113 HE2 :: 7.113 HZ :: 6.668 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 :: 121.438 Ave N Shift Values>> N :: 120.69(4.18) R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.31 R 0.24 I 0.02 K 0.01 C Shift Assignments>> C :: 177.737 CA :: 60.969 CB :: 30.487 CD :: 44.113 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 :: 9.018 HA :: 3.554 HB2 :: 1.920 HB3 :: 2.241 HG2 :: 1.403 HG3 :: 1.720 HD2 :: 2.949 HD3 :: 2.949 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.745 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.23 K 0.07 Q 0.02 M 0.01 HN Overlap>> D49 C Shift Assignments>> C :: 178.872 CA :: 59.660 CB :: 29.251 CG :: 36.276 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 :: 7.463 HA :: 3.880 HB2 :: 2.198 HB3 :: 2.288 HG2 :: 2.283 HG3 :: 2.478 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 :: 118.160 Ave N Shift Values>> N :: 120.68(3.68) F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.22 Y 0.22 HN Overlap>> D55 C Shift Assignments>> C :: 177.363 CA :: 61.528 CB :: 40.069 CD1 :: 131.816 CD2 :: 131.816 CE1 :: 131.567 CE2 :: 131.567 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.808 HA :: 4.128 HB2 :: 3.460 HB3 :: 3.470 HD1 :: 7.269 HD2 :: 7.269 HE1 :: 7.447 HE2 :: 7.447 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 :: 120.417 Ave N Shift Values>> N :: 120.69(4.18) L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.42 A 0.05 R 0.03 C Shift Assignments>> C :: 180.664 CA :: 56.726 CB :: 41.161 CG :: 26.310 CD1 :: 26.064 CD2 :: 21.670 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 :: 8.600 HA :: 3.613 HB2 :: 1.454 HB3 :: 1.465 HG :: 1.017 HD1 :: 0.130 HD2 :: 0.647 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 :: 118.873 Ave N Shift Values>> N :: 121.98(4.07) K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.2 M 0.02 G 0.01 HN Overlap>> F28 C Shift Assignments>> C :: 179.928 CA :: 59.819 CB :: 32.253 CG :: 25.251 CD :: 29.783 CE :: 42.132 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 :: 8.720 HA :: 3.857 HB2 :: 1.803 HB3 :: 1.815 HG2 :: 1.344 HG3 :: 1.452 HD3 :: 1.643 HE2 :: 2.945 HE3 :: 3.027 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 :: 121.439 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.21 M 0.02 G 0.01 C Shift Assignments>> C :: 176.298 CA :: 58.237 CB :: 31.947 CG :: 25.249 CD :: 29.407 CE :: 42.199 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 :: 7.095 HA :: 3.806 HB2 :: 1.798 HB3 :: 1.806 HG2 :: 1.414 HG3 :: 1.615 HE2 :: 2.962 HE3 :: 2.962 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.840 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.27 K 0.13 Q 0.12 M 0.09 I 0.01 C Shift Assignments>> C :: 175.039 CA :: 54.050 CB :: 29.696 CG :: 35.655 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 :: 6.949 HA :: 4.404 HB2 :: 1.809 HB3 :: 1.951 HG2 :: 1.821 HG3 :: 1.933 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 :: 112.862 Ave N Shift Values>> N :: 120.68(3.68) F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 F 0.32 HN Overlap>> E94 F125 C Shift Assignments>> C :: 175.974 CA :: 58.745 CB :: 36.065 CD1 :: 131.499 CD2 :: 131.499 CE1 :: 132.049 CE2 :: 132.049 CZ :: 130.603 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.424 HA :: 4.420 HB2 :: 3.184 HB3 :: 3.364 HD1 :: 7.202 HD2 :: 7.202 HE1 :: 7.356 HE2 :: 7.356 HZ :: 7.362 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 :: 117.602 Ave N Shift Values>> N :: 120.69(4.18) S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.505 CA :: 57.206 CB :: 65.311 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.966 HA :: 5.068 HB2 :: 3.730 HB3 :: 3.917 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.474 Ave N Shift Values>> N :: 116.3(3.95) E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.18 M 0.04 K 0.02 C Shift Assignments>> C :: 177.280 CA :: 58.995 CB :: 30.517 CG :: 37.091 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 :: 8.539 HA :: 3.593 HB2 :: 1.649 HB3 :: 2.058 HG2 :: 2.346 HG3 :: 2.346 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.018 Ave N Shift Values>> N :: 120.68(3.68) E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.33 E 0.21 K 0.04 Q 0.01 C Shift Assignments>> C :: 176.680 CA :: 60.443 CB :: 28.345 CG :: 36.487 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 :: 10.130 HA :: 3.996 HB2 :: 2.236 HB3 :: 2.440 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.590 Ave N Shift Values>> N :: 120.68(3.68) N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.23 F 0.16 E 0.11 N 0.07 I 0.05 D 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 176.664 CA :: 56.597 CB :: 38.057 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.644 HA :: 4.496 HB2 :: 2.755 HB3 :: 2.755 HD21 :: 7.047 HD22 :: 7.364 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 :: 117.696 ND2 :: 108.980 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 176.512 CA :: 63.795 CB :: 31.672 CG1 :: 21.603 CG2 :: 21.603 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.848 HA :: 4.126 HB :: 1.898 HG1 :: 0.995 HG2 :: 0.996 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.002 Ave N Shift Values>> N :: 121.02(4.96) L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 I 0.08 L 0.07 A 0.04 K 0.01 HN Overlap>> Q101 C Shift Assignments>> C :: 179.731 CA :: 58.009 CB :: 40.608 CD1 :: 20.801 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 :: 7.689 HA :: 4.124 HB2 :: 1.698 HB3 :: 1.993 HG :: 1.708 HD1 :: 0.805 HD2 :: 0.882 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 :: 122.123 Ave N Shift Values>> N :: 121.98(4.07) F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.36 C 0.23 C Shift Assignments>> C :: 176.312 CA :: 60.331 CB :: 38.982 CD1 :: 131.583 CD2 :: 131.583 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 :: 8.503 HA :: 3.044 HB2 :: 2.415 HB3 :: 2.763 HD1 :: 6.675 HD2 :: 6.675 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 :: 121.270 Ave N Shift Values>> N :: 120.69(4.18) W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.48 C Shift Assignments>> C :: 177.846 CA :: 64.864 CB :: 29.634 CD1 :: 125.207 CE3 :: 119.507 CZ2 :: 114.984 CH2 :: 125.659 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 :: 7.751 HA :: 3.285 HB3 :: 2.389 HD1 :: 7.349 HE1 :: 10.663 HE3 :: 7.230 HZ2 :: 7.206 HZ3 :: 6.881 HH2 :: 7.115 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 :: 121.058 NE1 :: 130.757 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.32 R 0.23 G 0.01 C Shift Assignments>> C :: 179.431 CA :: 57.868 CB :: 42.095 CG :: 27.428 CD1 :: 22.615 CD2 :: 26.471 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 :: 8.767 HA :: 3.823 HB2 :: 1.576 HB3 :: 1.916 HG :: 2.221 HD1 :: 0.974 HD2 :: 1.204 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.999 Ave N Shift Values>> N :: 121.98(4.07) A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.03 C 0.02 C Shift Assignments>> C :: 180.977 CA :: 54.950 CB :: 18.037 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.896 HA :: 4.156 HB :: 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 :: 122.776 Ave N Shift Values>> N :: 123.23(3.7) C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 P 0.4 C 0.06 V 0.03 HN Overlap>> K64 C Shift Assignments>> C :: 176.893 CA :: 64.044 CB :: 25.666 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.591 HA :: 3.558 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 :: 116.847 Ave N Shift Values>> N :: 119.95(4.79) E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 Q 0.12 W 0.12 R 0.12 C 0.12 E 0.11 H 0.1 I 0.07 L 0.03 M 0.01 C Shift Assignments>> C :: 178.313 CA :: 58.172 CB :: 28.459 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 :: 7.529 HA :: 3.783 HB2 :: 1.563 HB3 :: 1.681 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 :: 122.632 Ave N Shift Values>> N :: 120.68(3.68) D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.16 C 0.14 L 0.14 K 0.13 D 0.13 I 0.03 N 0.02 R 0.02 HN Overlap>> R27 E30 C Shift Assignments>> C :: 179.162 CA :: 56.773 CB :: 40.747 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 :: 7.523 HA :: 4.300 HB2 :: 2.648 HB3 :: 2.698 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.124 Ave N Shift Values>> N :: 120.73(4.2) F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.26 Y 0.19 HN Overlap>> R86 C Shift Assignments>> C :: 176.559 CA :: 61.417 CB :: 39.998 CD1 :: 131.855 CD2 :: 131.855 CE1 :: 131.894 CE2 :: 131.894 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 :: 8.079 HA :: 4.035 HB2 :: 3.123 HB3 :: 3.146 HD1 :: 7.205 HD2 :: 7.205 HE1 :: 7.587 HE2 :: 7.587 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 :: 121.384 Ave N Shift Values>> N :: 120.69(4.18) K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.36 R 0.21 M 0.03 G 0.01 HN Overlap>> S72 C Shift Assignments>> C :: 177.129 CA :: 58.264 CB :: 32.233 CG :: 25.038 CD :: 29.953 CE :: 42.210 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 :: 7.376 HA :: 4.118 HB2 :: 1.819 HB3 :: 1.824 HG2 :: 1.445 HG3 :: 1.445 HD3 :: 1.556 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 :: 114.231 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.34 R 0.21 M 0.03 G 0.01 C Shift Assignments>> C :: 177.128 CA :: 55.977 CB :: 32.897 CG :: 25.001 CD :: 29.329 CE :: 42.503 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 :: 7.074 HA :: 4.230 HB2 :: 1.709 HB3 :: 1.980 HG2 :: 1.375 HG3 :: 1.375 HD2 :: 1.619 HD3 :: 1.619 HE2 :: 2.955 HE3 :: 2.962 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 :: 116.750 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.44 A 0.06 C Shift Assignments>> C :: 175.670 CA :: 57.248 CB :: 33.312 CG :: 33.305 CE :: 18.110 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.443 HA :: 4.056 HB2 :: 1.724 HB3 :: 1.832 HG2 :: 2.348 HG3 :: 2.781 HE :: 2.004 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 :: 119.791 Ave N Shift Values>> N :: 120.1(3.88) Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.26 Q 0.22 E 0.12 K 0.1 C Shift Assignments>> C :: 175.532 CA :: 56.085 CB :: 31.121 CG :: 33.874 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 :: 8.383 HA :: 4.337 HB2 :: 1.840 HB3 :: 2.135 HG2 :: 2.291 HG3 :: 2.291 HE21 :: 6.772 HE22 :: 7.417 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 :: 118.178 NE2 :: 112.387 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.2 R 0.15 C 0.1 K 0.1 F 0.04 N 0.03 Y 0.03 G 0.03 HN Overlap>> F31 C Shift Assignments>> C :: 176.180 CA :: 53.525 CB :: 42.712 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 :: 7.789 HA :: 4.677 HB2 :: 2.609 HB3 :: 2.748 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 :: 120.349 Ave N Shift Values>> N :: 120.73(4.2) K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.19 G 0.01 M 0.01 C Shift Assignments>> C :: 178.290 CA :: 59.903 CB :: 32.311 CG :: 25.162 CD :: 29.040 CE :: 42.225 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 :: 8.880 HA :: 3.938 HB2 :: 1.897 HB3 :: 1.906 HG2 :: 1.423 HG3 :: 1.547 HD2 :: 1.709 HD3 :: 1.709 HE2 :: 3.011 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 :: 126.951 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.901 CA :: 66.333 CB :: 68.105 CG2 :: 22.084 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 :: 8.181 HA :: 4.097 HB :: 4.308 HG2 :: 1.302 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 :: 116.191 Ave N Shift Values>> N :: 115.7(5.05) Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.14 R 0.04 M 0.03 I 0.02 C Shift Assignments>> C :: 178.975 CA :: 58.361 CB :: 28.861 CG :: 34.079 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 :: 8.254 HA :: 4.174 HB2 :: 2.019 HB3 :: 2.226 HG2 :: 2.490 HG3 :: 2.491 HE21 :: 6.850 HE22 :: 7.555 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 :: 121.475 NE2 :: 111.975 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.4 I 0.02 C Shift Assignments>> C :: 177.997 CA :: 59.933 CB :: 33.999 CG :: 32.742 CE :: 16.375 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 :: 8.483 HA :: 4.029 HB2 :: 2.113 HB3 :: 2.251 HG2 :: 2.004 HG3 :: 2.046 HE :: 1.747 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 :: 119.232 Ave N Shift Values>> N :: 120.1(3.88) Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.19 Q 0.18 E 0.15 I 0.08 R 0.03 P 0.01 M 0.01 C Shift Assignments>> C :: 178.604 CA :: 59.912 CB :: 28.604 CG :: 34.374 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 :: 8.484 HA :: 3.967 HB2 :: 2.198 HB3 :: 2.405 HG2 :: 2.374 HG3 :: 2.618 HE21 :: 6.940 HE22 :: 7.615 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 :: 119.351 NE2 :: 111.428 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.19 K 0.07 Q 0.02 M 0.02 C Shift Assignments>> C :: 179.681 CA :: 59.217 CB :: 29.321 CG :: 36.301 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 :: 7.936 HA :: 4.111 HB2 :: 2.144 HB3 :: 2.161 HG2 :: 2.354 HG3 :: 2.473 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 :: 118.478 Ave N Shift Values>> N :: 120.68(3.68) K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.13 M 0.12 W 0.12 K 0.11 E 0.11 H 0.11 Q 0.07 V 0.02 I 0.01 C Shift Assignments>> C :: 178.242 CA :: 57.215 CB :: 31.479 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 :: 8.573 HA :: 4.362 HB2 :: 2.102 HB3 :: 2.271 HE2 :: 3.030 HE3 :: 3.030 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 :: 120.694 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.29 I 0.05 C 0.03 C Shift Assignments>> C :: 179.600 CA :: 55.504 CB :: 17.971 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.129 HA :: 4.013 HB :: 1.663 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.223 Ave N Shift Values>> N :: 123.23(3.7) K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.44 M 0.01 HN Overlap>> C47 C Shift Assignments>> C :: 178.064 CA :: 60.248 CB :: 32.042 CG :: 25.653 CD :: 29.308 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 :: 7.669 HA :: 4.065 HB2 :: 2.040 HB3 :: 2.043 HG2 :: 1.508 HG3 :: 1.646 HD2 :: 1.746 HD3 :: 1.751 HE2 :: 2.944 HE3 :: 2.944 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 :: 116.907 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.2 K 0.05 M 0.03 Q 0.02 C Shift Assignments>> C :: 180.079 CA :: 59.797 CB :: 29.942 CG :: 36.210 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 :: 7.939 HA :: 4.133 HB2 :: 2.288 HB3 :: 2.288 HG2 :: 2.044 HG3 :: 2.044 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 :: 120.500 Ave N Shift Values>> N :: 120.68(3.68) I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 178.391 CA :: 66.257 CB :: 37.642 CG1 :: 30.644 CG2 :: 17.195 CD1 :: 13.902 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 :: 8.837 HA :: 3.720 HB :: 1.638 HG2 :: 0.296 HG12 :: 1.936 HG13 :: 1.948 HD1 :: 0.382 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 :: 122.558 Ave N Shift Values>> N :: 121.6(4.72) Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 HN Overlap>> K112 C Shift Assignments>> C :: 178.085 CA :: 62.283 CB :: 40.021 CD1 :: 133.202 CD2 :: 133.202 CE1 :: 118.084 CE2 :: 118.084 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 :: 8.669 HA :: 4.050 HB2 :: 3.143 HB3 :: 3.304 HD1 :: 6.992 HD2 :: 6.992 HE1 :: 6.792 HE2 :: 6.792 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.507 Ave N Shift Values>> N :: 120.79(4.69) M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 M 0.27 Q 0.18 K 0.12 E 0.05 R 0.02 C Shift Assignments>> C :: 178.054 CA :: 57.411 CB :: 31.249 CG :: 32.742 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 :: 9.076 HA :: 4.162 HB2 :: 2.093 HB3 :: 2.239 HG2 :: 2.866 HG3 :: 2.866 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 :: 116.844 Ave N Shift Values>> N :: 120.1(3.88) T69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 174.349 CA :: 65.987 CB :: 69.368 CG2 :: 20.075 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 :: 8.068 HA :: 3.822 HB :: 3.578 HG2 :: 0.184(S) 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 :: 114.183 Ave N Shift Values>> N :: 115.7(5.05) F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 R 0.18 F 0.16 C 0.14 Y 0.11 L 0.1 I 0.04 D 0.02 G 0.01 C Shift Assignments>> C :: 175.746 CA :: 58.997 CB :: 42.317 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.868 HA :: 4.850 HB2 :: 2.650 HB3 :: 2.907 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.974 Ave N Shift Values>> N :: 120.69(4.18) L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.27 G 0.16 R 0.15 A 0.06 C Shift Assignments>> C :: 176.760 CA :: 54.982 CB :: 43.725 CG :: 27.074 CD1 :: 22.513 CD2 :: 26.344 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 :: 7.555 HA :: 4.584 HB2 :: 1.387 HB3 :: 1.603 HG :: 1.441 HD1 :: 0.512 HD2 :: 1.002 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.844 Ave N Shift Values>> N :: 121.98(4.07) S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> K51 C Shift Assignments>> C :: 175.014 CA :: 57.877 CB :: 63.786 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.442 HA :: 4.024 HB2 :: 3.431 HB3 :: 3.876 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 :: 114.267 Ave N Shift Values>> N :: 116.3(3.95) S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.324 CA :: 60.345 CB :: 62.783 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.590 HA :: 4.205 HB2 :: 3.951 HB3 :: 4.010 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 :: 119.190 Ave N Shift Values>> N :: 116.3(3.95) K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.31 R 0.24 M 0.03 G 0.01 C Shift Assignments>> C :: 176.358 CA :: 55.458 CB :: 31.942 CG :: 25.001 CD :: 29.075 CE :: 42.279 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 :: 8.053 HA :: 4.344 HB2 :: 1.613 HB3 :: 1.947 HG2 :: 1.393 HG3 :: 1.393 HE2 :: 2.961 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 :: 120.499 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 178.464 CA :: 52.550 CB :: 19.016 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.458 HA :: 4.165 HB :: 1.159 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.624 Ave N Shift Values>> N :: 123.23(3.7) S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.408 CA :: 59.889 CB :: 62.666 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.270 HA :: 4.215 HB2 :: 3.829 HB3 :: 3.829 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 :: 116.318 Ave N Shift Values>> N :: 116.3(3.95) S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.210 CA :: 56.237 CB :: 63.928 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.897 HA :: 4.633 HB2 :: 3.625 HB3 :: 3.817 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.960 Ave N Shift Values>> N :: 116.3(3.95) Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.2 E 0.15 M 0.11 R 0.02 HN Overlap>> L124 C Shift Assignments>> C :: 176.809 CA :: 56.258 CB :: 29.790 CG :: 34.072 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.662 HA :: 4.060 HB2 :: 1.847 HB3 :: 1.949 HG2 :: 2.123 HG3 :: 2.252 HE21 :: 6.655 HE22 :: 7.279 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 :: 119.351 NE2 :: 111.631 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 175.216 CA :: 60.656 CB :: 32.878 CG1 :: 19.082 CG2 :: 21.777 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 :: 8.099 HA :: 4.336 HB :: 1.853 HG1 :: 0.738 HG2 :: 0.458 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 :: 119.719 Ave N Shift Values>> N :: 121.02(4.96) N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.17 C 0.16 Y 0.07 F 0.05 L 0.03 E 0.01 C Shift Assignments>> C :: 174.419 CA :: 52.835 CB :: 38.719 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 :: 8.731 HA :: 4.776 HB2 :: 2.641 HB3 :: 2.808 HD21 :: 6.852 HD22 :: 7.509 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 :: 122.408 ND2 :: 112.523 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.47 HN Overlap>> H96 C Shift Assignments>> C :: 175.673 CA :: 60.273 CB :: 33.337 CG1 :: 19.887 CG2 :: 22.194 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.852 HA :: 4.332 HB :: 2.125 HG1 :: 0.781 HG2 :: 0.802 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.167 Ave N Shift Values>> N :: 121.02(4.96) E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.09 M 0.07 I 0.06 Q 0.05 C Shift Assignments>> C :: 177.570 CA :: 57.254 CB :: 29.920 CG :: 36.168 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 :: 8.645 HA :: 4.207 HB3 :: 2.009 HG2 :: 2.254 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.215 Ave N Shift Values>> N :: 120.68(3.68) G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 175.321 CA :: 45.833 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.723 HA2 :: 3.821 HA3 :: 4.089 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.831 Ave N Shift Values>> N :: 109.91(4.29) Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 K 0.25 C 0.25 E 0.1 R 0.07 M 0.06 C Shift Assignments>> C :: 176.612 CA :: 56.677 CB :: 28.998 CG :: 33.629 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 :: 8.266 HA :: 4.274 HB2 :: 1.975 HB3 :: 2.077 HG2 :: 2.359 HG3 :: 2.359 HE22 :: 7.509 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 :: 119.927 NE2 :: 112.069 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.550 CA :: 59.066 CB :: 63.285 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.387 HA :: 4.406 HB2 :: 3.921 HB3 :: 3.923 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 :: 115.848 Ave N Shift Values>> N :: 116.3(3.95) R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.1 G 0.08 HN Overlap>> F50 C Shift Assignments>> C :: 176.449 CA :: 56.279 CB :: 30.406 CG :: 27.462 CD :: 43.488 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 :: 8.046 HA :: 4.331 HB2 :: 1.776 HB3 :: 1.933 HG2 :: 1.675 HG3 :: 1.677 HD2 :: 3.236 HD3 :: 3.236 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 :: 121.289 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.26 R 0.17 G 0.02 K 0.01 HN Overlap>> K129 C Shift Assignments>> C :: 175.825 CA :: 55.070 CB :: 42.469 CG :: 27.600 CD1 :: 25.970 CD2 :: 24.377 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 :: 8.157 HA :: 4.325 HB2 :: 1.538 HB3 :: 1.792 HG :: 1.780 HD1 :: 0.908 HD2 :: 0.976 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 :: 122.186 Ave N Shift Values>> N :: 121.98(4.07) N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.25 C 0.13 Y 0.06 F 0.05 L 0.05 C Shift Assignments>> C :: 175.041 CA :: 52.689 CB :: 39.417 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.913 HA :: 4.646 HB2 :: 2.922 HB3 :: 2.922 HD21 :: 6.885 HD22 :: 7.657 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 :: 119.291 ND2 :: 113.292 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.25 K 0.05 Q 0.01 M 0.01 HN Overlap>> D105 C Shift Assignments>> C :: 178.122 CA :: 59.245 CB :: 29.091 CG :: 36.721 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 :: 8.826 HA :: 3.517 HB2 :: 1.945 HB3 :: 1.952 HG2 :: 2.192 HG3 :: 2.192 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 :: 119.806 Ave N Shift Values>> N :: 120.68(3.68) K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.26 M 0.02 G 0.01 HN Overlap>> R130 C Shift Assignments>> C :: 179.223 CA :: 58.239 CB :: 31.575 CG :: 24.975 CD :: 28.875 CE :: 42.196 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 :: 8.243 HA :: 4.016 HB2 :: 1.801 HB3 :: 1.829 HG2 :: 1.428 HG3 :: 1.428 HD2 :: 1.631 HD3 :: 1.634 HE2 :: 2.958 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 :: 120.908 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 176.580 CA :: 63.167 CB :: 37.718 CG1 :: 27.462 CG2 :: 17.537 CD1 :: 13.908 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 :: 7.702 HA :: 3.973 HB :: 1.897 HG2 :: 0.955 HG12 :: 1.368 HG13 :: 1.369 HD1 :: 0.879 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 :: 117.420 Ave N Shift Values>> N :: 121.6(4.72) L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.37 K 0.15 A 0.06 C Shift Assignments>> C :: 177.262 CA :: 55.645 CB :: 41.054 CD1 :: 22.361 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 :: 7.267 HA :: 3.784 HB2 :: 1.441 HB3 :: 1.698 HD1 :: 0.648 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.203 Ave N Shift Values>> N :: 121.98(4.07) E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.09 K 0.07 M 0.06 Q 0.02 C Shift Assignments>> C :: 176.715 CA :: 57.521 CB :: 29.968 CG :: 36.531 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 :: 7.348 HA :: 4.089 HB2 :: 2.000 HB3 :: 2.017 HG2 :: 2.250 HG3 :: 2.250 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 :: 115.402 Ave N Shift Values>> N :: 120.68(3.68) E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.26 M 0.11 K 0.1 Q 0.07 HN Overlap>> F36 F125 C Shift Assignments>> C :: 172.467 CA :: 53.158 CB :: 29.886 CG :: 35.914 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 :: 7.426 HA :: 4.754 HB2 :: 1.847 HB3 :: 2.064 HG2 :: 2.182 HG3 :: 2.191 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.577 Ave N Shift Values>> N :: 120.68(3.68) P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.46 P 0.32 C 0.12 W 0.02 I 0.02 K 0.01 C Shift Assignments>> C :: 175.334 CA :: 63.050 CB :: 33.201 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 :: 4.631 HB2 :: 1.914 HB3 :: 2.057 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) H96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 C 0.32 W 0.29 HN Overlap>> V81 C Shift Assignments>> C :: 174.097 CA :: 54.841 CB :: 31.617 CD2 :: 119.950 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 :: 7.841 HA :: 4.920 HB2 :: 3.117 HB3 :: 3.211 HD2 :: 7.165 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.200 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.63 P 0.27 C 0.05 I 0.03 C Shift Assignments>> C :: 176.333 CA :: 66.063 CB :: 32.544 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 :: 4.175 HB2 :: 1.874 HB3 :: 2.450 HG2 :: 2.062 HG3 :: 2.176 HD3 :: 3.721 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) L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.28 A 0.11 R 0.02 C Shift Assignments>> C :: 180.463 CA :: 53.736 CB :: 41.049 CG :: 27.350 CD1 :: 22.549 CD2 :: 24.851 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 :: 4.898 HB3 :: 1.770 HG :: 1.960 HD1 :: 0.923 HD2 :: 1.007 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 :: 113.374 Ave N Shift Values>> N :: 121.98(4.07) M99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.37 I 0.08 V 0.01 HN Overlap>> L103 C Shift Assignments>> C :: 175.668 CA :: 59.203 CB :: 32.534 CE :: 16.422 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.568 HA :: 3.822 HB2 :: 1.920 HB3 :: 1.920 HG2 :: 2.055 HE :: 1.547 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 :: 119.681 Ave N Shift Values>> N :: 120.1(3.88) F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.32 C 0.27 C Shift Assignments>> C :: 176.140 CA :: 57.545 CB :: 40.028 CD1 :: 131.425 CD2 :: 131.425 CE1 :: 130.662 CE2 :: 130.662 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 :: 9.189 HA :: 4.843 HB2 :: 2.589 HB3 :: 3.545 HE1 :: 6.425 HE2 :: 6.425 HZ :: 7.087 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 :: 118.232 Ave N Shift Values>> N :: 120.69(4.18) Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.22 Q 0.21 E 0.11 R 0.04 M 0.04 I 0.03 HN Overlap>> L42 C Shift Assignments>> C :: 176.853 CA :: 59.808 CB :: 29.386 CG :: 33.599 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.638 HA :: 3.900 HB2 :: 2.165 HB3 :: 2.165 HG2 :: 2.356 HG3 :: 2.356 HE21 :: 6.726 HE22 :: 7.757 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 :: 122.157 NE2 :: 116.098 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.24 G 0.01 M 0.01 HN Overlap>> E23 C Shift Assignments>> C :: 180.356 CA :: 59.723 CB :: 31.737 CG :: 25.626 CD :: 29.243 CE :: 42.306 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 :: 8.432 HA :: 4.276 HB2 :: 1.914 HB3 :: 1.914 HG2 :: 1.623 HG3 :: 1.623 HD2 :: 1.779 HD3 :: 1.779 HE2 :: 3.027 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.308 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.33 R 0.11 G 0.01 HN Overlap>> M99 C Shift Assignments>> C :: 178.742 CA :: 57.715 CB :: 42.297 CG :: 27.172 CD1 :: 25.313 CD2 :: 24.807 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 :: 7.591 HA :: 4.287 HB2 :: 1.942 HB3 :: 2.101 HG :: 1.792 HD1 :: 0.887 HD2 :: 1.058 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.615 Ave N Shift Values>> N :: 121.98(4.07) Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 C 0.14 R 0.12 W 0.09 K 0.06 P 0.06 Q 0.05 E 0.05 H 0.04 L 0.03 C Shift Assignments>> C :: 178.712 CA :: 60.326 CB :: 27.461 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 :: 9.129 HA :: 3.819 HB2 :: 1.735 HB3 :: 1.752 HG2 :: 2.273 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 :: 121.411 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 C 0.18 D 0.09 L 0.08 I 0.06 K 0.04 N 0.02 HN Overlap>> E89 C Shift Assignments>> C :: 179.027 CA :: 57.405 CB :: 39.907 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 :: 8.816 HA :: 4.613 HB2 :: 2.754 HB3 :: 2.890 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 :: 119.786 Ave N Shift Values>> N :: 120.73(4.2) Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.19 Q 0.19 E 0.17 I 0.07 R 0.03 M 0.01 C Shift Assignments>> C :: 179.757 CA :: 59.543 CB :: 28.775 CG :: 34.437 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.903 HA :: 4.320 HB2 :: 2.324 HB3 :: 2.475 HG2 :: 2.479 HG3 :: 2.733 HE21 :: 7.022 HE22 :: 7.373 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 :: 120.279 NE2 :: 110.309 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.48 M 0.01 C Shift Assignments>> C :: 177.591 CA :: 61.960 CB :: 36.912 CG1 :: 29.631 CG2 :: 19.911 CD1 :: 11.283 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 :: 8.414 HA :: 4.217 HB :: 2.398 HG2 :: 1.446 HG12 :: 1.547 HG13 :: 1.875 HD1 :: 0.838 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.880 Ave N Shift Values>> N :: 121.6(4.72) F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.38 C 0.17 C Shift Assignments>> C :: 176.756 CA :: 62.596 CB :: 39.312 CD1 :: 131.828 CD2 :: 131.828 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 :: 9.122 HA :: 3.765 HB2 :: 3.496 HB3 :: 3.497 HD1 :: 6.752 HD2 :: 6.752 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 :: 123.827 Ave N Shift Values>> N :: 120.69(4.18) N109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.23 F 0.18 N 0.08 D 0.08 E 0.06 I 0.05 L 0.03 M 0.01 C Shift Assignments>> C :: 177.022 CA :: 56.445 CB :: 38.519 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 :: 8.247 HA :: 4.391 HB2 :: 2.993 HB3 :: 2.993 HD21 :: 7.090 HD22 :: 7.633 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 :: 117.278 ND2 :: 112.402 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 L 0.33 C 0.24 R 0.06 G 0.01 C Shift Assignments>> C :: 180.898 CA :: 58.042 CB :: 42.169 CG :: 27.434 CD1 :: 24.692 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 :: 8.046 HA :: 4.271 HB2 :: 1.920 HB3 :: 2.045 HG :: 1.813 HD1 :: 1.056 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 :: 121.031 Ave N Shift Values>> N :: 121.98(4.07) M111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.28 I 0.15 HN Overlap>> S115 C Shift Assignments>> C :: 178.090 CA :: 59.412 CB :: 34.868 CE :: 16.174 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 :: 8.016 HA :: 4.341 HB3 :: 1.797 HG2 :: 2.765 HE :: 1.806 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 :: 116.948 Ave N Shift Values>> N :: 120.1(3.88) K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 C 0.22 K 0.1 W 0.09 M 0.07 Q 0.06 R 0.05 E 0.04 P 0.04 H 0.03 I 0.02 HN Overlap>> Y67 C Shift Assignments>> C :: 177.142 CA :: 60.202 CB :: 32.861 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 :: 8.586 HA :: 3.382 HB2 :: 1.068 HB3 :: 1.367 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 :: 120.478 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 175.506 CA :: 58.769 CB :: 38.017 CD1 :: 133.407 CD2 :: 133.407 CE1 :: 117.972 CE2 :: 117.972 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.444 HA :: 4.634 HB2 :: 2.951 HB3 :: 3.399 HD1 :: 7.402 HD2 :: 7.402 HE1 :: 6.896 HE2 :: 6.896 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 :: 111.292 Ave N Shift Values>> N :: 120.79(4.69) D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.18 R 0.16 D 0.13 C 0.1 F 0.08 Y 0.06 N 0.01 HN Overlap>> S122 C Shift Assignments>> C :: 175.434 CA :: 55.655 CB :: 42.295 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 :: 7.641 HA :: 5.134 HB2 :: 2.973 HB3 :: 2.973 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 :: 117.276 Ave N Shift Values>> N :: 120.73(4.2) S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 HN Overlap>> M111 C Shift Assignments>> C :: 176.559 CA :: 62.674 CB :: 64.837 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.039 HA :: 4.078 HB2 :: 3.979 HB3 :: 3.979 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 :: 116.990 Ave N Shift Values>> N :: 116.3(3.95) Y116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 175.494 CA :: 60.564 CB :: 38.038 CD1 :: 130.729 CD2 :: 130.729 CE1 :: 117.334 CE2 :: 117.334 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 :: 9.307 HA :: 4.188 HB2 :: 2.580 HB3 :: 3.079 HD1 :: 7.089 HD2 :: 7.089 HE1 :: 6.535 HE2 :: 6.535 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 :: 122.403 Ave N Shift Values>> N :: 120.79(4.69) S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.650 CA :: 60.916 CB :: 62.784 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.560 HA :: 3.658 HB2 :: 3.857 HB3 :: 3.872 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 :: 110.548 Ave N Shift Values>> N :: 116.3(3.95) R118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 C 0.16 E 0.12 R 0.11 I 0.08 V 0.08 H 0.08 Q 0.06 K 0.04 M 0.03 P 0.01 C Shift Assignments>> C :: 179.734 CA :: 59.787 CB :: 30.494 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 :: 7.671 HA :: 3.951 HB2 :: 2.012 HB3 :: 2.046 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 :: 118.138 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 C 0.29 Y 0.28 C Shift Assignments>> C :: 178.203 CA :: 59.930 CB :: 38.653 CD1 :: 131.233 CD2 :: 131.233 CE1 :: 131.859 CE2 :: 131.859 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 :: 8.699 HA :: 3.009 HB3 :: 2.702 HD1 :: 6.658 HD2 :: 6.658 HE1 :: 6.675 HE2 :: 6.675 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.188 Ave N Shift Values>> N :: 120.69(4.18) L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.29 A 0.2 I 0.02 C Shift Assignments>> C :: 176.179 CA :: 55.984 CB :: 40.702 CD1 :: 24.768 CD2 :: 20.719 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 :: 7.053 HA :: 2.914 HB2 :: 0.900 HB3 :: 1.382 HG :: 1.082 HD1 :: -0.111 HD2 :: 0.302 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.196 Ave N Shift Values>> N :: 121.98(4.07) K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.33 R 0.18 M 0.04 G 0.01 C Shift Assignments>> C :: 176.091 CA :: 54.783 CB :: 32.769 CG :: 24.936 CD :: 29.589 CE :: 42.161 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.788 HA :: 4.371 HB2 :: 1.602 HB3 :: 2.035 HE2 :: 2.933 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 :: 114.365 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.81 T 0.18 HN Overlap>> D114 C Shift Assignments>> C :: 174.712 CA :: 58.363 CB :: 66.371 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.684 HA :: 4.513 HB2 :: 4.114 HB3 :: 4.114 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.227 Ave N Shift Values>> N :: 116.3(3.95) D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 C 0.16 D 0.12 L 0.11 K 0.07 I 0.04 N 0.03 C Shift Assignments>> C :: 177.938 CA :: 56.906 CB :: 40.268 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.024 HA :: 4.411 HB2 :: 2.703 HB3 :: 2.715 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 :: 122.043 Ave N Shift Values>> N :: 120.73(4.2) L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.32 R 0.16 G 0.03 HN Overlap>> Q78 C Shift Assignments>> C :: 177.911 CA :: 57.663 CB :: 42.764 CG :: 27.580 CD1 :: 25.308 CD2 :: 24.824 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 :: 7.745 HA :: 4.142 HB2 :: 1.620 HB3 :: 1.924 HG :: 1.786 HD1 :: 1.176 HD2 :: 1.062 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.403 Ave N Shift Values>> N :: 121.98(4.07) F125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.39 C 0.21 HN Overlap>> F36 E94 C Shift Assignments>> C :: 176.497 CA :: 60.054 CB :: 40.125 CD1 :: 132.091 CD2 :: 132.091 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.374 HA :: 4.172 HB3 :: 2.749 HD1 :: 7.039 HD2 :: 7.039 HE1 :: 6.929 HE2 :: 6.929 HZ :: 7.191 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 :: 117.588 Ave N Shift Values>> N :: 120.69(4.18) L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.32 R 0.1 G 0.01 A 0.01 C Shift Assignments>> C :: 178.768 CA :: 56.749 CB :: 42.084 CG :: 27.057 CD1 :: 25.538 CD2 :: 22.974 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 :: 8.119 HA :: 3.842 HB2 :: 1.425 HB3 :: 1.700 HD1 :: 0.820 HD2 :: 0.890 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 :: 118.565 Ave N Shift Values>> N :: 121.98(4.07) K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.24 M 0.02 G 0.01 C Shift Assignments>> C :: 177.310 CA :: 57.243 CB :: 32.264 CG :: 25.316 CD :: 29.000 CE :: 42.264 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 :: 8.337 HA :: 4.159 HB2 :: 1.806 HB3 :: 1.806 HG2 :: 0.857 HG3 :: 0.875 HD2 :: 1.601 HD3 :: 1.601 HE2 :: 2.945 HE3 :: 2.945 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 :: 119.101 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.34 C 0.3 C Shift Assignments>> C :: 175.671 CA :: 57.365 CB :: 30.208 CD2 :: 119.536 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 :: 7.694 HA :: 4.417 HB2 :: 3.051 HB3 :: 3.055 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 :: 120.129 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.16 M 0.04 HN Overlap>> L87 C Shift Assignments>> C :: 176.891 CA :: 57.357 CB :: 32.837 CG :: 24.569 CD :: 29.733 CE :: 42.099 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 :: 8.175 HB3 :: 2.160 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 :: 122.206 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.09 G 0.08 HN Overlap>> K90 C Shift Assignments>> C :: 177.524 CA :: 57.377 CB :: 30.414 CG :: 27.355 CD :: 43.513 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 :: 8.238 HA :: 4.226 HB2 :: 1.835 HB3 :: 1.839 HG2 :: 1.612 HG3 :: 1.670 HD2 :: 3.160 HD3 :: 3.163 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 :: 120.928 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.510 CA :: 63.780 CB :: 69.398 CG2 :: 21.770 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 :: 8.040 HA :: 4.158 HB :: 4.235 HG2 :: 1.217 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 :: 114.732 Ave N Shift Values>> N :: 115.7(5.05) E132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.217 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 :: 121.126 Ave N Shift Values>> N :: 120.68(3.68) E133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 134 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 130 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 138 #Suspicious: 0 C Shift Results: #Consistent: 586 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 780 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 142 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: L15 HD1 = -0.484(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.4099e-06 L19 HD1 = -0.528(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5290e-06 G24 HA2 = 1.976(S), Expected = 3.95, Std = 0.4000, ChiSquare = 8.0151e-07 G24 HA3 = 2.602(S), Expected = 3.93, Std = 0.4000, ChiSquare = 9.0017e-04 T69 HG2 = 0.184(S), Expected = 1.16, Std = 0.2800, ChiSquare = 4.9082e-04