M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.41 C 0.4 A 0.15 I 0.01 C Shift Assignments>> C :: 172.160 CA :: 55.770 CB :: 35.150 CG :: 31.890 CE :: 17.500 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 :: 4.010 HB2 :: 1.969 HB3 :: 1.888 HG2 :: 2.537 HG3 :: 2.503 HE :: 1.648 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) K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.36 R 0.17 M 0.02 G 0.01 C Shift Assignments>> C :: 175.856 CA :: 54.680 CB :: 34.635 CG :: 24.806 CD :: 29.334 CE :: 42.149 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 :: 8.260 HA :: 4.510 HB2 :: 1.620 HB3 :: 1.877 HG2 :: 1.452 HD2 :: 1.687 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 :: 122.854 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.37 R 0.05 A 0.01 HN Overlap>> R55 C Shift Assignments>> C :: 177.997 CA :: 57.220 CB :: 41.410 CG :: 27.197 CD1 :: 25.085 CD2 :: 22.415 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 :: 8.383 HA :: 3.757 HB2 :: 1.400 HB3 :: 1.780 HG :: 1.818 HD1 :: 0.991 HD2 :: 0.777 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 :: 119.801 Ave N Shift Values>> N :: 121.98(4.07) R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.21 L 0.18 R 0.17 G 0.04 C Shift Assignments>> C :: 174.680 CA :: 58.200 CB :: 27.040 CG :: 28.311 CD :: 42.833 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 :: 9.282 HA :: 3.689 HB2 :: 2.280 HB3 :: 2.069 HG2 :: 1.666 HG3 :: 1.499 HD2 :: 3.199 HD3 :: 3.218 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 :: 114.375 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.2 E 0.12 M 0.11 R 0.02 C Shift Assignments>> C :: 176.793 CA :: 54.800 CB :: 29.720 CG :: 34.103 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 :: 7.760 HA :: 4.515 HB2 :: 2.050 HB3 :: 2.256 HG2 :: 2.488 HE21 :: 7.161 HE22 :: 7.717 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 :: 121.524 NE2 :: 113.951 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 177.028 CA :: 62.000 CB :: 32.377 CG :: 27.290 CD :: 50.308 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 :: 4.822 HB2 :: 1.690 HB3 :: 2.219 HG2 :: 1.919 HG3 :: 1.919 HD2 :: 3.610 HD3 :: 3.838 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) M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 A 0.08 M 0.07 I 0.04 C Shift Assignments>> C :: 174.541 CA :: 54.770 CB :: 35.010 CG :: 28.259 CE :: 14.976 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 :: 8.580 HA :: 3.658 HB2 :: 1.640 HB3 :: 1.483 HG2 :: 1.295 HG3 :: 2.625 HE :: 1.370 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.343 Ave N Shift Values>> N :: 120.1(3.88) P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 174.166 CA :: 62.480 CB :: 32.200 CG :: 27.171 CD :: 51.155 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 :: 4.396 HB2 :: 2.220 HB3 :: 1.686 HG2 :: 1.446 HG3 :: 1.157 HD2 :: 2.720 HD3 :: 3.416 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) E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.08 I 0.07 M 0.07 Q 0.04 HN Overlap>> N108 C Shift Assignments>> C :: 176.754 CA :: 57.349 CB :: 30.000 CG :: 36.290 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 :: 7.992 HA :: 3.896 HB2 :: 1.965 HB3 :: 1.852 HG2 :: 2.254 HG3 :: 2.337 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 :: 116.098 Ave N Shift Values>> N :: 120.68(3.68) L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.34 A 0.03 C Shift Assignments>> C :: 175.443 CA :: 53.364 CB :: 40.070 CG :: 27.100 CD1 :: 26.425 CD2 :: 23.651 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 :: 8.539 HA :: 4.533 HB2 :: 1.559 HB3 :: 2.150 HG :: 1.667 HD1 :: 0.872 HD2 :: 0.633 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.671 Ave N Shift Values>> N :: 121.98(4.07) T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.513 CA :: 60.005 CB :: 70.630 CG2 :: 20.626 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.310 HA :: 5.002 HB :: 4.195 HG2 :: 1.154 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 :: 116.049 Ave N Shift Values>> N :: 115.7(5.05) G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.335 CA :: 45.129 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.600 HA2 :: 4.197 HA3 :: 3.732 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.871 Ave N Shift Values>> N :: 109.91(4.29) E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.18 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 176.818 CA :: 59.076 CB :: 29.767 CG :: 36.500 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 :: 9.636 HA :: 4.110 HB2 :: 1.970 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 :: 126.060 Ave N Shift Values>> N :: 120.68(3.68) K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.34 R 0.18 M 0.03 G 0.01 C Shift Assignments>> CA :: 55.356 CB :: 32.775 CG :: 24.600 CD :: 29.068 CE :: 42.178 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 :: 8.316 HA :: 4.420 HB2 :: 1.686 HB3 :: 1.851 HG2 :: 1.510 HE2 :: 3.002 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 :: 120.749 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.15 L 0.15 C 0.08 C Shift Assignments>> CA :: 51.816 CB :: 21.522 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.160 HA :: 4.416 HB :: 1.205 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.936 Ave N Shift Values>> N :: 123.23(3.7) W16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.15 C 0.15 K 0.14 R 0.12 W 0.11 H 0.1 E 0.09 Q 0.06 V 0.02 C Shift Assignments>> C :: 177.348 CA :: 56.817 CB :: 31.890 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 :: 8.519 HA :: 5.474 HB2 :: 3.430 HB3 :: 2.817 HD1 :: 7.115 HE3 :: 7.705 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.280 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.2 C 0.18 R 0.06 A 0.05 C Shift Assignments>> C :: 177.348 CA :: 53.360 CB :: 43.933 CG :: 27.064 CD1 :: 25.736 CD2 :: 22.946 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.585 HA :: 4.840 HB2 :: 1.804 HB3 :: 1.558 HG :: 1.552 HD1 :: 0.774 HD2 :: 0.906 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 :: 122.824 Ave N Shift Values>> N :: 121.98(4.07) N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.2 N 0.15 Y 0.1 M 0.08 F 0.05 K 0.03 D 0.02 I 0.01 C Shift Assignments>> C :: 174.780 CA :: 54.958 CB :: 36.620 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 :: 8.957 HA :: 4.259 HB2 :: 3.503 HB3 :: 2.791 HD21 :: 7.609 HD22 :: 6.442 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 :: 114.890 ND2 :: 114.889 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.21 R 0.17 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 169.623 CA :: 44.464 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.145 HA2 :: 4.133 HA3 :: 3.515 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.477 Ave N Shift Values>> N :: 109.91(4.29) E20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 M 0.24 E 0.22 Q 0.15 K 0.07 HN Overlap>> Q50 C Shift Assignments>> C :: 175.429 CA :: 55.091 CB :: 31.060 CG :: 35.011 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 :: 7.382 HA :: 2.774(S) HB2 :: 1.126(S) HB3 :: 1.050(S) HG2 :: 1.633 HG3 :: 1.482(S) 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 :: 115.835 Ave N Shift Values>> N :: 120.68(3.68) V21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.61 V 0.37 C Shift Assignments>> CA :: 59.341 CB :: 35.432 CG1 :: 21.618 CG2 :: 20.820 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 :: 4.900(S) HA :: 4.507 HB :: 1.682 HG1 :: 0.735 HG2 :: 0.690 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) T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.3 A 0.01 C Shift Assignments>> C :: 174.996 CA :: 59.050 CB :: 71.960 CG2 :: 21.689 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.524 HA :: 4.778 HB :: 4.617 HG2 :: 1.180 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 :: 111.650 Ave N Shift Values>> N :: 115.7(5.05) R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.11 K 0.05 C Shift Assignments>> C :: 177.658 CA :: 60.135 CB :: 30.510 CG :: 27.158 CD :: 43.455 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 :: 9.265 HA :: 3.851 HB2 :: 1.803 HG2 :: 1.703 HG3 :: 1.469 HD2 :: 3.185 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.545 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.33 E 0.24 K 0.02 C Shift Assignments>> C :: 178.515 CA :: 59.873 CB :: 29.080 CG :: 37.362 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 :: 8.339 HA :: 3.905 HB2 :: 2.041 HB3 :: 1.950 HG2 :: 2.387 HG3 :: 2.255 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 :: 115.819 Ave N Shift Values>> N :: 120.68(3.68) Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.21 E 0.16 M 0.07 R 0.03 I 0.01 C Shift Assignments>> C :: 177.516 CA :: 57.440 CB :: 29.550 CG :: 34.103 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 :: 7.496 HA :: 4.167 HB2 :: 2.243 HB3 :: 2.045 HG2 :: 2.361 HG3 :: 2.421 HE21 :: 6.813 HE22 :: 7.425 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 :: 116.670 NE2 :: 111.607 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.32 R 0.13 A 0.11 G 0.01 HN Overlap>> L62 R142 C Shift Assignments>> C :: 178.729 CA :: 55.490 CB :: 42.080 CG :: 25.868 CD1 :: 22.016 CD2 :: 26.798 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 :: 7.650 HA :: 4.166 HB2 :: 1.831 HB3 :: 1.782 HG :: 1.805 HD1 :: 0.682 HD2 :: 0.758 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.005 Ave N Shift Values>> N :: 121.98(4.07) I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.496 CA :: 60.670 CB :: 39.948 CG1 :: 27.000 CG2 :: 16.990 CD1 :: 13.454 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 :: 7.270 HA :: 4.315 HB :: 1.720 HG2 :: 0.816 HG12 :: 1.064 HG13 :: 1.430 HD1 :: 0.720 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.820 Ave N Shift Values>> N :: 121.6(4.72) G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.756 CA :: 45.660 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.815 HA2 :: 4.596 HA3 :: 3.530 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.805 Ave N Shift Values>> N :: 109.91(4.29) E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 E 0.2 M 0.17 I 0.01 C Shift Assignments>> C :: 175.405 CA :: 57.880 CB :: 33.440 CG :: 36.362 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 :: 8.855 HA :: 4.573 HB2 :: 1.896 HB3 :: 2.062 HG2 :: 2.294 HG3 :: 2.177 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 :: 120.986 Ave N Shift Values>> N :: 120.68(3.68) K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.17 M 0.02 G 0.01 HN Overlap>> W37 C Shift Assignments>> C :: 172.859 CA :: 53.895 CB :: 35.180 CG :: 24.673 CD :: 29.527 CE :: 42.137 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 :: 9.460 HA :: 4.920 HB2 :: 1.678 HB3 :: 1.930 HG2 :: 1.329 HD2 :: 1.345 HD3 :: 1.417 HE2 :: 3.022 HE3 :: 2.927 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 :: 122.626 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 174.692 CA :: 62.529 CB :: 33.440 CG :: 27.546 CD :: 50.308 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 :: 4.503 HB2 :: 2.505 HB3 :: 1.915 HG2 :: 1.920 HD2 :: 3.853 HD3 :: 4.218 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) T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 C Shift Assignments>> C :: 172.842 CA :: 62.263 CB :: 72.890 CG2 :: 22.680 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 :: 8.640 HA :: 5.246 HB :: 3.879 HG1 :: 6.156 HG2 :: 1.189 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 :: 114.418 Ave N Shift Values>> N :: 115.7(5.05) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.21 L 0.2 R 0.06 C Shift Assignments>> C :: 174.336 CA :: 53.630 CB :: 45.129 CG :: 28.392 CD1 :: 26.001 CD2 :: 24.938 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.600 HA :: 5.625 HB2 :: 1.352 HB3 :: 2.278 HG :: 1.786 HD1 :: 0.935 HD2 :: 1.113 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 :: 130.111 Ave N Shift Values>> N :: 121.98(4.07) I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 C Shift Assignments>> C :: 175.429 CA :: 60.138 CB :: 39.683 CG1 :: 28.923 CG2 :: 17.500 CD1 :: 12.710 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.766 HA :: 5.611 HB :: 2.140 HG2 :: 0.474 HG12 :: 1.900 HG13 :: 1.162 HD1 :: 0.850 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 :: 128.840 Ave N Shift Values>> N :: 121.6(4.72) H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.21 K 0.1 H 0.1 P 0.08 R 0.08 W 0.06 Q 0.05 E 0.02 C Shift Assignments>> C :: 172.905 CA :: 52.434 CB :: 32.377 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 :: 9.030 HA :: 6.260 HB2 :: 3.502 HB3 :: 2.963 HD2 :: 6.743 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 :: 125.521 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 R 0.2 K 0.18 C 0.1 D 0.09 F 0.08 Y 0.06 G 0.01 C Shift Assignments>> C :: 175.485 CA :: 56.286 CB :: 42.510 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 :: 9.544 HA :: 5.602 HB2 :: 2.683 HB3 :: 3.074 HD1 :: 6.876 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 :: 124.802 Ave N Shift Values>> N :: 120.69(4.18) W37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 C 0.15 H 0.13 R 0.13 K 0.12 W 0.1 E 0.08 Q 0.07 HN Overlap>> K30 C Shift Assignments>> C :: 172.825 CA :: 55.091 CB :: 31.586 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.464 HA :: 5.525 HB2 :: 3.050 HD1 :: 6.913 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 :: 122.626 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 176.888 CA :: 56.552 CB :: 66.514 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.449 HA :: 4.274 HB2 :: 3.600 HB3 :: 3.354 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 :: 113.482 Ave N Shift Values>> N :: 116.3(3.95) I39 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.81 C 0.17 C Shift Assignments>> C :: 180.613 CA :: 65.186 CB :: 39.151 CG1 :: 24.806 CG2 :: 19.891 CD1 :: 14.976 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 :: 11.000(M) HA :: 4.132 HB :: 2.078 HG2 :: 1.015 HG12 :: 1.347 HG13 :: 1.435 HD1 :: 0.750 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 :: 125.002 Ave N Shift Values>> N :: 121.6(4.72) S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.366 CA :: 57.110 CB :: 62.980 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.373 HA :: 4.511 HB2 :: 4.063 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 :: 111.826 Ave N Shift Values>> N :: 116.3(3.95) C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 V 0.17 W 0.13 R 0.09 K 0.08 E 0.08 M 0.06 H 0.05 I 0.04 P 0.03 Q 0.03 C Shift Assignments>> C :: 176.818 CA :: 60.000 CB :: 31.846 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.360 HA :: 4.698 HB2 :: 2.571 HB3 :: 3.082 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 :: 126.801 Ave N Shift Values>> N :: 119.95(4.79) H42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.16 C 0.14 E 0.13 R 0.11 I 0.1 H 0.09 Q 0.08 K 0.07 V 0.04 M 0.03 C Shift Assignments>> C :: 177.600 CA :: 59.474 CB :: 29.853 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.377 HB2 :: 3.340 HB3 :: 3.240 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) L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.36 R 0.08 G 0.01 C Shift Assignments>> C :: 181.408 CA :: 57.880 CB :: 41.941 CG :: 26.850 CD1 :: 23.345 CD2 :: 25.469 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 :: 8.804 HA :: 4.100 HB2 :: 1.903 HB3 :: 1.345 HG :: 1.387 HD1 :: 0.856 HD2 :: 0.958 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 :: 127.407 Ave N Shift Values>> N :: 121.98(4.07) C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 P 0.18 V 0.14 C 0.1 W 0.05 C Shift Assignments>> C :: 177.571 CA :: 63.857 CB :: 29.189 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.831 HA :: 4.278 HB2 :: 3.864 HB3 :: 2.780 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 :: 125.796 Ave N Shift Values>> N :: 119.95(4.79) K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.16 M 0.01 G 0.01 C Shift Assignments>> C :: 178.570 CA :: 60.537 CB :: 32.244 CG :: 24.862 CD :: 29.125 CE :: 42.061 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 :: 7.373 HA :: 3.581 HB2 :: 1.867 HG2 :: 1.548 HD2 :: 1.687 HD3 :: 1.742 HE2 :: 2.927 HE3 :: 2.995 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 :: 119.218 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.2 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.114 CA :: 59.120 CB :: 29.720 CG :: 36.626 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 :: 8.139 HA :: 4.061 HB2 :: 2.152 HG2 :: 2.475 HG3 :: 2.329 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 :: 119.720 Ave N Shift Values>> N :: 120.68(3.68) A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.22 C 0.03 L 0.02 HN Overlap>> D75 C Shift Assignments>> C :: 176.818 CA :: 52.833 CB :: 20.023 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.485 HA :: 4.527 HB :: 1.566 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.380 Ave N Shift Values>> N :: 123.23(3.7) M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 M 0.12 I 0.02 C Shift Assignments>> C :: 175.452 CA :: 57.742 CB :: 27.550 CG :: 32.553 CE :: 14.976 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 :: 7.469 HA :: 4.446 HB2 :: 2.044 HB3 :: 2.260 HG2 :: 2.436 HG3 :: 2.530 HE :: 1.513 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.390 Ave N Shift Values>> N :: 120.1(3.88) P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 179.975 CA :: 66.514 CB :: 31.049 CG :: 28.513 CD :: 50.786 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 :: 4.275 HB2 :: 2.382 HB3 :: 1.814 HG2 :: 2.068 HG3 :: 2.178 HD2 :: 3.630 HD3 :: 3.804 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) Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.29 K 0.14 Q 0.1 I 0.1 M 0.02 HN Overlap>> E20 C Shift Assignments>> C :: 178.580 CA :: 58.810 CB :: 29.080 CG :: 35.467 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 :: 7.442 HA :: 4.064 HB2 :: 2.252 HB3 :: 1.900 HG2 :: 2.280 HG3 :: 2.466 HE21 :: 7.448 HE22 :: 6.841 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 :: 115.826 NE2 :: 113.482 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.07 C Shift Assignments>> C :: 177.939 CA :: 66.647 CB :: 30.915 CG1 :: 20.024 CG2 :: 23.610 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 :: 7.616 HA :: 3.287 HB :: 2.048 HG1 :: 0.221 HG2 :: 0.887 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.580 Ave N Shift Values>> N :: 121.02(4.96) N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 N 0.18 E 0.16 Y 0.14 F 0.08 M 0.05 D 0.04 I 0.02 K 0.01 C Shift Assignments>> C :: 177.519 CA :: 55.180 CB :: 37.200 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 :: 8.585 HA :: 4.176 HB2 :: 2.800 HD21 :: 7.151 HD22 :: 5.932 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 :: 120.110 ND2 :: 107.857 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.22 K 0.06 M 0.02 Q 0.02 C Shift Assignments>> CA :: 59.574 CB :: 29.530 CG :: 36.409 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 :: 7.600 HA :: 4.087 HB2 :: 2.088 HB3 :: 1.984 HG2 :: 2.157 HG3 :: 2.411 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 :: 121.390 Ave N Shift Values>> N :: 120.68(3.68) F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 Y 0.22 C 0.2 F 0.18 E 0.05 C Shift Assignments>> CA :: 60.271 CB :: 38.221 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 :: 7.669 HA :: 4.332 HB2 :: 3.295 HB3 :: 3.168 HD1 :: 6.987 HD2 :: 7.061 HE1 :: 6.830 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 :: 121.069 Ave N Shift Values>> N :: 120.69(4.18) R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.38 G 0.13 K 0.08 L 0.01 HN Overlap>> L3 C Shift Assignments>> C :: 178.018 CA :: 58.677 CB :: 30.330 CG :: 25.795 CD :: 43.754 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 :: 8.463 HA :: 3.848 HB2 :: 2.551 HB3 :: 1.686 HG2 :: 2.068 HG3 :: 1.688 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.811 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 C 0.17 D 0.11 L 0.09 I 0.05 K 0.04 N 0.03 C Shift Assignments>> C :: 179.051 CA :: 57.080 CB :: 39.948 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 :: 8.065 HA :: 4.500 HB2 :: 2.666 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 :: 117.465 Ave N Shift Values>> N :: 120.73(4.2) K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.39 R 0.16 M 0.03 G 0.01 C Shift Assignments>> C :: 178.249 CA :: 59.076 CB :: 32.642 CG :: 24.673 CD :: 29.924 CE :: 42.144 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 :: 8.535 HA :: 3.930 HB2 :: 1.700 HB3 :: 1.425 HG2 :: 1.024 HG3 :: 0.650 HD2 :: 1.470 HD3 :: 1.422 HE2 :: 2.739 HE3 :: 2.954 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 :: 123.077 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.24 F 0.17 E 0.12 I 0.08 N 0.04 D 0.03 M 0.01 L 0.01 C Shift Assignments>> C :: 176.784 CA :: 57.190 CB :: 38.000 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 :: 7.630 HA :: 4.842 HB2 :: 3.200 HB3 :: 2.518 HD1 :: 6.910 HE1 :: 6.579 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 :: 115.429 Ave N Shift Values>> N :: 120.79(4.69) Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.25 Q 0.22 R 0.09 E 0.07 M 0.04 I 0.02 C Shift Assignments>> C :: 176.567 CA :: 59.208 CB :: 28.791 CG :: 33.307 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 :: 7.270 HA :: 4.390 HB2 :: 2.236 HB3 :: 2.389 HG2 :: 2.503 HG3 :: 2.399 HE21 :: 6.822 HE22 :: 7.668 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 :: 122.200 NE2 :: 112.545 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 L 0.16 F 0.15 C 0.13 Y 0.13 K 0.12 N 0.05 R 0.02 I 0.01 C Shift Assignments>> C :: 176.501 CA :: 55.887 CB :: 40.745 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 :: 8.785 HA :: 4.642 HB2 :: 2.795 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 :: 118.040 Ave N Shift Values>> N :: 120.73(4.2) Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.33 E 0.13 Q 0.07 C Shift Assignments>> C :: 173.708 CA :: 56.552 CB :: 33.174 CG :: 34.728 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 :: 8.138 HA :: 4.511 HB2 :: 1.915 HB3 :: 2.333 HG2 :: 2.303 HG3 :: 2.361 HE21 :: 7.720 HE22 :: 6.835 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.257 NE2 :: 112.310 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 G 0.18 A 0.08 L 0.07 HN Overlap>> L26 R142 C Shift Assignments>> C :: 175.903 CA :: 53.720 CB :: 47.785 CG :: 26.400 CD1 :: 23.610 CD2 :: 26.798 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 :: 7.756 HA :: 4.706 HB2 :: 1.902 HB3 :: 1.118 HG :: 1.610 HD1 :: 0.766 HD2 :: 0.690 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.034 Ave N Shift Values>> N :: 121.98(4.07) N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.26 C 0.12 L 0.11 F 0.07 Y 0.06 K 0.03 C Shift Assignments>> C :: 174.735 CA :: 53.231 CB :: 40.214 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.017 HA :: 5.031 HB2 :: 3.130 HB3 :: 2.476 HD21 :: 6.941 HD22 :: 7.337 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 :: 124.057 ND2 :: 118.874 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.747 CA :: 62.263 CB :: 34.635 CG1 :: 22.149 CG2 :: 22.813 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 :: 8.530 HA :: 5.380 HB :: 2.034 HG1 :: 1.028 HG2 :: 1.145 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.511 Ave N Shift Values>> N :: 121.02(4.96) V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.42 I 0.03 C Shift Assignments>> C :: 172.900 CA :: 61.732 CB :: 36.495 CG1 :: 22.282 CG2 :: 20.688 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.000 HA :: 4.396 HB :: 1.915 HG1 :: 0.920 HG2 :: 0.964 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.426 Ave N Shift Values>> N :: 121.02(4.96) A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 C 0.18 L 0.17 M 0.07 G 0.03 C Shift Assignments>> C :: 176.573 CA :: 49.600 CB :: 22.282 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.960 HA :: 4.379 HB :: 1.217 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.166 Ave N Shift Values>> N :: 123.23(3.7) V67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.52 C 0.46 C Shift Assignments>> C :: 175.283 CA :: 60.404 CB :: 33.307 CG1 :: 19.758 CG2 :: 22.016 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 :: 8.920 HA :: 4.610 HB :: 0.391(S) HG1 :: -0.235(S) HG2 :: 0.233 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.394 Ave N Shift Values>> N :: 121.02(4.96) H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 E 0.14 W 0.13 R 0.13 Q 0.13 C 0.11 K 0.1 M 0.05 I 0.02 C Shift Assignments>> C :: 172.874 CA :: 56.900 CB :: 29.970 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 :: 9.015 HA :: 3.875 HB2 :: 2.618 HB3 :: 2.183 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 :: 125.905 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 C 0.21 M 0.1 C Shift Assignments>> C :: 171.981 CA :: 51.040 CB :: 36.680 CG :: 30.890 CE :: 17.899 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 :: 8.400 HA :: 4.688 HB2 :: 1.640 HB3 :: 1.721 HG2 :: 1.950 HG3 :: 2.632 HE :: 1.716 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 :: 130.658 Ave N Shift Values>> N :: 120.1(3.88) P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 176.923 CA :: 62.529 CB :: 32.870 CG :: 28.758 CD :: 50.660 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 :: 4.500 HB2 :: 2.118 HB3 :: 1.926 HG2 :: 2.286 HD2 :: 3.610 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) R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 K 0.1 G 0.1 C Shift Assignments>> C :: 175.837 CA :: 56.286 CB :: 31.445 CG :: 27.270 CD :: 43.660 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 :: 9.940 HA :: 4.435 HB2 :: 1.980 HB3 :: 1.600 HG2 :: 1.485 HG3 :: 1.616 HD2 :: 3.124 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 :: 121.824 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.997 CA :: 57.482 CB :: 65.584 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.802 HA :: 4.611 HB2 :: 4.107 HB3 :: 3.939 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 :: 113.644 Ave N Shift Values>> N :: 116.3(3.95) E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.25 K 0.24 E 0.13 R 0.05 M 0.04 I 0.01 HN Overlap>> I94 C Shift Assignments>> CA :: 57.410 CB :: 28.900 CG :: 33.909 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 :: 9.270 HA :: 3.907 HB2 :: 2.115 HB3 :: 1.967 HG2 :: 2.348 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 :: 120.675 Ave N Shift Values>> N :: 120.68(3.68) D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.16 F 0.15 K 0.15 C 0.13 Y 0.12 N 0.04 R 0.03 I 0.01 HN Overlap>> E83 C Shift Assignments>> CA :: 56.070 CB :: 40.930 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 :: 8.142 HA :: 4.576 HB2 :: 2.400 HB3 :: 2.713 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 :: 120.200 Ave N Shift Values>> N :: 120.73(4.2) D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.22 K 0.12 R 0.12 C 0.1 F 0.05 N 0.04 Y 0.03 G 0.01 HN Overlap>> A47 C Shift Assignments>> C :: 175.277 CA :: 53.780 CB :: 42.339 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 :: 7.490 HA :: 4.770 HB2 :: 2.864 HB3 :: 3.121 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 :: 118.405 Ave N Shift Values>> N :: 120.73(4.2) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.26 R 0.08 G 0.07 A 0.01 C Shift Assignments>> C :: 177.519 CA :: 55.416 CB :: 43.130 CG :: 26.665 CD1 :: 23.623 CD2 :: 25.469 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 :: 7.232 HA :: 4.574 HB2 :: 1.572 HB3 :: 1.823 HG :: 1.682 HD1 :: 0.870 HD2 :: 0.987 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 :: 116.998 Ave N Shift Values>> N :: 121.98(4.07) D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 C 0.12 R 0.09 K 0.08 N 0.07 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 179.130 CA :: 52.356 CB :: 42.339 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 :: 7.600 HA :: 4.760 HB2 :: 2.668 HB3 :: 2.763 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 :: 121.217 Ave N Shift Values>> N :: 120.73(4.2) P78 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 :: 178.858 CA :: 65.053 CB :: 32.111 CG :: 27.595 CD :: 51.239 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 :: 4.060 HB2 :: 2.141 HB3 :: 2.012 HG2 :: 1.872 HG3 :: 2.138 HD2 :: 3.846 HD3 :: 4.315 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) G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 176.643 CA :: 47.121 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.346 HA2 :: 3.913 HA3 :: 3.802 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.630 Ave N Shift Values>> N :: 109.91(4.29) K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.2 M 0.02 G 0.01 C Shift Assignments>> C :: 180.239 CA :: 58.544 CB :: 32.510 CG :: 25.204 CD :: 29.322 CE :: 42.144 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 :: 7.660 HA :: 4.190 HB2 :: 1.853 HG2 :: 1.400 HG3 :: 1.559 HD2 :: 1.716 HD3 :: 1.669 HE2 :: 2.991 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 :: 123.736 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 177.178 CA :: 65.584 CB :: 37.690 CG1 :: 28.214 CG2 :: 17.347 CD1 :: 14.844 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 :: 7.739 HA :: 3.426 HB :: 1.543 HG2 :: 0.447 HG12 :: 1.300 HG13 :: -0.233(S) HD1 :: 0.280 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 :: 122.477 Ave N Shift Values>> N :: 121.6(4.72) K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.16 M 0.01 G 0.01 C Shift Assignments>> C :: 179.480 CA :: 60.130 CB :: 32.500 CG :: 25.119 CD :: 29.357 CE :: 42.145 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 :: 8.183 HA :: 3.868 HB2 :: 1.937 HB3 :: 2.041 HG2 :: 1.503 HG3 :: 1.555 HD2 :: 1.712 HE2 :: 2.930 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 :: 120.676 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.24 K 0.03 M 0.02 HN Overlap>> D74 C Shift Assignments>> C :: 179.497 CA :: 59.474 CB :: 29.853 CG :: 36.837 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 :: 8.113 HA :: 4.156 HB2 :: 2.149 HB3 :: 2.295 HG2 :: 2.430 HG3 :: 2.322 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 :: 120.157 Ave N Shift Values>> N :: 120.68(3.68) T84 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 :: 176.468 CA :: 67.045 CB :: 68.639 CG2 :: 22.415 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 :: 8.254 HA :: 4.247 HB :: 4.387 HG2 :: 1.506 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 :: 118.503 Ave N Shift Values>> N :: 115.7(5.05) A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.27 I 0.06 C 0.03 V 0.01 C Shift Assignments>> C :: 179.165 CA :: 55.755 CB :: 18.164 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.017 HA :: 3.902 HB :: 1.621 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.655 Ave N Shift Values>> N :: 123.23(3.7) A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 HN Overlap>> E107 Q122 C Shift Assignments>> C :: 181.512 CA :: 54.825 CB :: 17.766 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.854 HA :: 4.240 HB :: 1.543 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.410 Ave N Shift Values>> N :: 123.23(3.7) E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 I 0.11 K 0.1 Q 0.06 M 0.04 C Shift Assignments>> C :: 177.659 CA :: 58.810 CB :: 29.720 CG :: 35.890 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 :: 7.918 HA :: 3.976 HB2 :: 2.185 HB3 :: 2.010 HG2 :: 1.982 HG3 :: 2.269 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 :: 120.849 Ave N Shift Values>> N :: 120.68(3.68) H88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.13 W 0.13 Q 0.12 C 0.12 K 0.08 M 0.07 I 0.01 C Shift Assignments>> C :: 173.424 CA :: 56.153 CB :: 30.252 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 :: 7.557 HA :: 4.500 HB2 :: 3.240 HB3 :: 2.585 HD2 :: 6.906 HE1 :: 7.148 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.145 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 Y 0.17 C 0.16 F 0.16 N 0.13 L 0.09 I 0.02 K 0.02 E 0.01 HN Overlap>> K138 C Shift Assignments>> C :: 173.715 CA :: 55.490 CB :: 39.650 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 :: 7.753 HA :: 4.210 HB2 :: 3.051 HB3 :: 2.309 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 :: 119.108 Ave N Shift Values>> N :: 120.73(4.2) I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.598 CA :: 61.466 CB :: 36.495 CG1 :: 26.400 CG2 :: 16.960 CD1 :: 12.984 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 :: 8.470 HA :: 3.845 HB :: 1.700 HG2 :: 0.450 HG12 :: 0.670 HG13 :: 1.422 HD1 :: -0.277 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.108 Ave N Shift Values>> N :: 121.6(4.72) T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.475 CA :: 61.998 CB :: 69.037 CG2 :: 21.751 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.085 HA :: 4.117 HB :: 4.292 HG2 :: 1.054 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.244 Ave N Shift Values>> N :: 115.7(5.05) Q92 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Suspicious PRTL>> C 0.35 R 0.27 K 0.26 Q 0.06 M 0.03 C Shift Assignments>> C :: 171.356 CA :: 53.762 CB :: 26.134 CG :: 32.041 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 :: 10.508(S) HA :: 4.650 HB2 :: 1.850 HB3 :: 2.652 HG2 :: 2.390 HG3 :: 2.190 HE21 :: 9.922(M) HE22 :: 7.845 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 :: 127.855 NE2 :: 119.577(S) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 175.564 CA :: 64.870 CB :: 32.775 CG :: 28.578 CD :: 50.468 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 :: 4.745 HB2 :: 2.619 HB3 :: 2.593 HG2 :: 1.858 HD2 :: 4.002 HD3 :: 4.000 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) I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.32 G 0.03 A 0.02 HN Overlap>> E73 C Shift Assignments>> C :: 174.551 CA :: 59.076 CB :: 42.180 CG1 :: 26.798 CG2 :: 19.094 CD1 :: 15.641 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.315 HA :: 5.143 HB :: 1.932 HG2 :: 0.863 HG12 :: 2.328 HG13 :: 0.745 HD1 :: 0.927 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.643 Ave N Shift Values>> N :: 121.6(4.72) F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.22 F 0.19 D 0.1 N 0.09 E 0.04 I 0.04 L 0.04 C Shift Assignments>> C :: 175.690 CA :: 56.286 CB :: 38.753 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 :: 9.192 HA :: 3.485 HB2 :: 1.776 HB3 :: 2.818 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 :: 131.609 Ave N Shift Values>> N :: 120.69(4.18) V96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 I 0.13 V 0.1 C Shift Assignments>> C :: 174.429 CA :: 64.570 CB :: 39.124(S) CG1 :: 22.946 CG2 :: 21.619 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 :: 8.575 HA :: 3.957 HB :: 2.175 HG1 :: 0.900 HG2 :: 0.749 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 :: 131.226 Ave N Shift Values>> N :: 121.02(4.96) D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 N 0.11 K 0.11 C 0.1 F 0.07 Y 0.05 R 0.03 C Shift Assignments>> C :: 178.659 CA :: 53.762 CB :: 41.210 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 :: 8.976 HA :: 5.390 HB2 :: 3.038 HB3 :: 2.172 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 :: 134.344 Ave N Shift Values>> N :: 120.73(4.2) S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.834 CA :: 61.800 CB :: 63.064 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.151 HA :: 4.077 HB2 :: 4.045 HB3 :: 3.526 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 :: 114.654 Ave N Shift Values>> N :: 116.3(3.95) D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.17 N 0.13 C 0.11 K 0.09 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.148 CA :: 53.990 CB :: 40.960 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 :: 8.517 HA :: 4.139 HB2 :: 2.880 HB3 :: 2.668 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 :: 117.808 Ave N Shift Values>> N :: 120.73(4.2) H100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 K 0.13 Q 0.12 C 0.11 W 0.1 H 0.09 E 0.08 L 0.08 I 0.07 M 0.01 C Shift Assignments>> C :: 173.455 CA :: 57.860 CB :: 27.780 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.024 HA :: 4.320 HB2 :: 3.430 HB3 :: 3.360 HD2 :: 7.038 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 :: 114.444 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.3 C 0.06 V 0.03 L 0.03 I 0.02 T 0.01 C Shift Assignments>> C :: 180.752 CA :: 55.622 CB :: 19.758 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.647 HA :: 4.190 HB :: 1.575 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.871 Ave N Shift Values>> N :: 123.23(3.7) L102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.6 C 0.33 R 0.04 G 0.01 C Shift Assignments>> C :: 180.334 CA :: 57.250 CB :: 42.210 CG :: 26.665 CD1 :: 23.876 CD2 :: 24.407 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 :: 10.498(S) HA :: 4.329 HB2 :: 1.189 HB3 :: 1.082 HG :: 1.362 HD1 :: 0.742 HD2 :: -0.410(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.697 Ave N Shift Values>> N :: 121.98(4.07) T103 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 :: 176.608 CA :: 68.639 CB :: 68.639 CG2 :: 22.414 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 :: 10.058 HA :: 3.770 HB :: 3.502 HG2 :: 1.073 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 :: 121.555 Ave N Shift Values>> N :: 115.7(5.05) D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.24 C 0.19 D 0.09 I 0.07 L 0.06 N 0.03 K 0.01 E 0.01 C Shift Assignments>> C :: 179.761 CA :: 57.216 CB :: 39.550 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 :: 8.150 HA :: 4.492 HB2 :: 2.926 HB3 :: 2.630 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 :: 121.544 Ave N Shift Values>> N :: 120.73(4.2) A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.03 C 0.03 C Shift Assignments>> C :: 180.146 CA :: 55.225 CB :: 18.297 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.941 HA :: 4.215 HB :: 1.664 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.005 Ave N Shift Values>> N :: 123.23(3.7) F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.18 I 0.13 L 0.04 K 0.03 D 0.03 C Shift Assignments>> C :: 175.032 CA :: 58.810 CB :: 40.010 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 :: 8.605 HA :: 3.970 HB2 :: 2.888 HB3 :: 2.532 HD1 :: 6.672 HE1 :: 6.766 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 :: 117.400 Ave N Shift Values>> N :: 120.69(4.18) E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.25 K 0.24 R 0.13 E 0.05 M 0.02 HN Overlap>> A86 Q122 C Shift Assignments>> C :: 175.592 CA :: 56.817 CB :: 27.650 CG :: 33.466 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 :: 7.918 HA :: 3.777 HB2 :: 1.944 HB3 :: 2.070 HG2 :: 2.169 HG3 :: 1.932 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.340 Ave N Shift Values>> N :: 120.68(3.68) N108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.24 L 0.17 C 0.12 F 0.11 K 0.11 Y 0.1 N 0.08 R 0.02 HN Overlap>> E9 C Shift Assignments>> C :: 174.230 CA :: 55.091 CB :: 40.820 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 :: 8.015 HA :: 4.229 HB2 :: 1.615(S) HB3 :: 2.093 HD21 :: 6.025 HD22 :: 7.357 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 :: 116.171 ND2 :: 116.764 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.32 M 0.2 I 0.02 Q 0.01 K 0.01 C Shift Assignments>> C :: 175.452 CA :: 57.216 CB :: 32.111 CG :: 36.362 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 :: 8.297 HA :: 4.000 HB2 :: 1.354 HG2 :: 1.851 HG3 :: 1.672 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 :: 126.336 Ave N Shift Values>> N :: 120.68(3.68) Y110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Y 0.37 F 0.21 C Shift Assignments>> C :: 174.716 CA :: 56.460 CB :: 41.675 CD1 :: 133.789 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 :: 7.910 HA :: 4.838 HB2 :: 3.069 HB3 :: 2.678 HD1 :: 7.092 HE1 :: 6.780 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 :: 117.920 Ave N Shift Values>> N :: 120.79(4.69) V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 I 0.09 V 0.06 A 0.03 C Shift Assignments>> C :: 173.631 CA :: 58.411 CB :: 34.900 CG1 :: 23.743 CG2 :: 18.297 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 :: 8.068 HA :: 4.376 HB :: 1.900 HG1 :: 0.744 HG2 :: 0.851 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 :: 111.944 Ave N Shift Values>> N :: 121.02(4.96) P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.81 P 0.17 C Shift Assignments>> C :: 175.452 CA :: 62.750 CB :: 34.950 CG :: 24.595 CD :: 50.309 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 :: 4.772 HB2 :: 2.906 HB3 :: 1.910 HG2 :: 1.876 HG3 :: 1.888 HD2 :: 3.615 HD3 :: 3.475 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) A113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.17 K 0.17 R 0.08 P 0.04 M 0.02 H 0.02 Q 0.02 W 0.01 C Shift Assignments>> C :: 175.487 CA :: 52.310 CB :: 25.071(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.392 HA :: 4.814 HB :: 1.689 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.208 Ave N Shift Values>> N :: 123.23(3.7) Y114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.18 Y 0.15 C 0.13 L 0.13 D 0.07 R 0.06 I 0.03 C Shift Assignments>> C :: 172.965 CA :: 57.614 CB :: 41.300 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 :: 8.791 HA :: 5.207 HB2 :: 2.720 HB3 :: 2.583 HD1 :: 6.843 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.754 Ave N Shift Values>> N :: 120.79(4.69) Y115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.18 Y 0.14 L 0.14 C 0.13 D 0.08 R 0.05 I 0.03 C Shift Assignments>> C :: 174.366 CA :: 57.482 CB :: 41.277 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 :: 9.428 HA :: 5.054 HB2 :: 3.522 HB3 :: 2.907 HD1 :: 7.324 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 :: 121.871 Ave N Shift Values>> N :: 120.79(4.69) V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.436 CA :: 61.334 CB :: 33.307 CG1 :: 21.751 CG2 :: 21.423 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.072 HA :: 5.048 HB :: 2.107 HG1 :: 0.856 HG2 :: 0.831 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 :: 122.316 Ave N Shift Values>> N :: 121.02(4.96) F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.21 R 0.14 D 0.11 C 0.1 F 0.1 Y 0.07 N 0.01 C Shift Assignments>> C :: 176.328 CA :: 56.286 CB :: 42.070 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 :: 10.151 HA :: 5.302 HB2 :: 3.045 HB3 :: 2.874 HD1 :: 7.208 HE1 :: 7.281 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 :: 129.295 Ave N Shift Values>> N :: 120.69(4.18) D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 K 0.11 C 0.1 N 0.1 R 0.05 F 0.05 Y 0.04 C Shift Assignments>> C :: 178.465 CA :: 53.040 CB :: 41.675 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 :: 8.573 HA :: 4.640 HB2 :: 3.640 HB3 :: 2.753 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.860 Ave N Shift Values>> N :: 120.73(4.2) K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.37 R 0.14 M 0.06 C Shift Assignments>> C :: 176.083 CA :: 58.540 CB :: 32.100 CG :: 23.876 CD :: 29.853 CE :: 41.941 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 :: 9.406 HA :: 4.220 HB2 :: 1.663 HB3 :: 1.316 HG2 :: 1.110 HG3 :: 1.493 HD2 :: 1.525 HD3 :: 1.582 HE2 :: 2.763 HE3 :: 2.935 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 :: 118.796 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.907 CA :: 61.865 CB :: 69.569 CG2 :: 22.282 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 :: 8.304 HA :: 4.569 HB :: 4.427 HG2 :: 1.186 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 :: 111.425 Ave N Shift Values>> N :: 115.7(5.05) G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 172.650 CA :: 45.660 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.575 HA2 :: 4.277 HA3 :: 3.520 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.260 Ave N Shift Values>> N :: 109.91(4.29) Q122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.21 M 0.2 E 0.18 K 0.12 HN Overlap>> A86 E107 C Shift Assignments>> C :: 177.659 CA :: 55.356 CB :: 30.600 CG :: 34.502 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 :: 7.892 HA :: 4.609 HB2 :: 2.064 HB3 :: 1.665 HG2 :: 2.312 HG3 :: 2.056 HE21 :: 7.605 HE22 :: 6.650 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 :: 120.341 NE2 :: 111.138 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.37 R 0.05 K 0.01 C Shift Assignments>> C :: 177.274 CA :: 56.817 CB :: 40.880 CG :: 27.259 CD1 :: 26.134 CD2 :: 24.009 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 :: 8.764 HA :: 3.681 HB2 :: 1.990 HB3 :: 1.385 HG :: 1.261 HD1 :: 0.813 HD2 :: 0.525 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 :: 124.997 Ave N Shift Values>> N :: 121.98(4.07) R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 K 0.15 R 0.05 C Shift Assignments>> C :: 176.503 CA :: 53.340 CB :: 31.430 CG :: 26.916 CD :: 40.008 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 :: 9.516 HA :: 4.800 HB2 :: 1.471 HB3 :: 1.978 HG2 :: 1.681 HG3 :: 1.900 HD2 :: 3.030 HD3 :: 3.395 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 :: 126.768 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Q 0.18 M 0.16 K 0.16 E 0.1 W 0.03 V 0.03 R 0.02 H 0.02 Y 0.01 C Shift Assignments>> C :: 171.038 CA :: 57.310 CB :: 34.237 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 :: 7.621 HA :: 4.796 HB2 :: 3.170 HB3 :: 2.302 HD2 :: 6.240 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 :: 117.061 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 F 0.23 Y 0.21 G 0.19 C Shift Assignments>> C :: 172.930 CA :: 54.692 CB :: 43.300 CD1 :: 132.290 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 :: 7.270 HA :: 5.310 HB2 :: 2.750 HB3 :: 2.401 HD1 :: 6.344 HE1 :: 7.054 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 :: 127.438 Ave N Shift Values>> N :: 120.69(4.18) Q127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.27 E 0.17 Q 0.01 C Shift Assignments>> C :: 171.354 CA :: 54.490 CB :: 33.050 CG :: 36.329 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 :: 7.727 HA :: 3.803 HB2 :: 1.818 HB3 :: 1.927 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 :: 120.425 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 A 0.29 C 0.16 M 0.11 K 0.03 C Shift Assignments>> C :: 177.274 CA :: 51.260 CB :: 22.680 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.344 HA :: 4.869 HB :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.575 Ave N Shift Values>> N :: 123.23(3.7) G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.21 R 0.17 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.032 CA :: 44.464 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.257 HA2 :: 3.787 HA3 :: 4.411 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.738 Ave N Shift Values>> N :: 109.91(4.29) G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.660 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.743 HA2 :: 3.872 HA3 :: 4.077 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.774 Ave N Shift Values>> N :: 109.91(4.29) S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.411 CB :: 63.060 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.350 HB2 :: 3.860 HB3 :: 4.060 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) G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> CA :: 46.324 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.715 HA2 :: 4.067 HA3 :: 3.896 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 123.250 Ave N Shift Values>> N :: 109.91(4.29) M133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.73 I 0.15 V 0.1 C Shift Assignments>> CG :: 31.712 CE :: 17.899 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 :: 4.346 HB2 :: 1.914 HB3 :: 1.984 HG2 :: 2.477 HG3 :: 2.539 HE :: 1.418 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) K134 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> C 0.57 R 0.27 K 0.14 C Shift Assignments>> CA :: 57.350 CB :: 32.260 CD :: 25.602 CE :: 41.675 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>> HD2 :: 1.421 HD3 :: 0.125(M) HE2 :: 2.752 HE3 :: 2.902 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) M135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 I 0.18 A 0.03 M 0.01 C Shift Assignments>> CA :: 57.910 CB :: 31.720 CG :: 36.748 CE :: 16.836 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 :: 7.720 HA :: 4.110 HB2 :: 2.477 HB3 :: 2.393 HE :: 2.070 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.748 Ave N Shift Values>> N :: 120.1(3.88) L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.46 R 0.01 C Shift Assignments>> C :: 178.184 CA :: 58.411 CB :: 40.770 CG :: 26.533 CD1 :: 23.610 CD2 :: 25.470 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 :: 7.482 HA :: 3.619 HB2 :: 1.728 HB3 :: 1.142 HG :: 1.148 HD1 :: 0.534 HD2 :: 0.125 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 :: 121.530 Ave N Shift Values>> N :: 121.98(4.07) E137 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 0.06 Q 0.02 M 0.02 C Shift Assignments>> C :: 177.974 CA :: 60.005 CB :: 29.530 CG :: 36.137 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.137 HA :: 3.492 HB2 :: 2.154 HB3 :: 2.071 HG2 :: 1.945 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 :: 119.080 Ave N Shift Values>> N :: 120.68(3.68) K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.01 G 0.01 HN Overlap>> D89 C Shift Assignments>> C :: 180.041 CA :: 59.740 CB :: 32.310 CG :: 25.213 CD :: 29.450 CE :: 42.142 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 :: 7.650 HA :: 3.998 HB2 :: 1.926 HB3 :: 1.859 HG2 :: 1.396 HG3 :: 1.558 HD2 :: 1.652 HE2 :: 2.885 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 :: 119.080 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.28 R 0.18 L 0.14 C Shift Assignments>> C :: 179.410 CA :: 57.349 CB :: 29.040 CG :: 25.600 CD :: 41.750 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 :: 7.947 HA :: 3.888 HB2 :: 1.504 HB3 :: 1.200 HG2 :: 1.401 HD2 :: 2.896 HD3 :: 2.751 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 :: 118.820 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.204 CA :: 67.178 CB :: 31.314 CG1 :: 24.010 CG2 :: 21.485 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 :: 8.556 HA :: 3.342 HB :: 1.944 HG1 :: 0.762 HG2 :: 0.483 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.640 Ave N Shift Values>> N :: 121.02(4.96) N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.23 F 0.16 E 0.11 N 0.07 I 0.06 D 0.05 M 0.01 L 0.01 C Shift Assignments>> C :: 178.149 CA :: 56.685 CB :: 38.090 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 :: 8.463 HA :: 4.277 HB2 :: 2.880 HB3 :: 2.703 HD21 :: 7.360 HD22 :: 7.132 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 :: 118.610 ND2 :: 111.607 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.09 G 0.07 L 0.02 HN Overlap>> L26 L62 C Shift Assignments>> C :: 178.675 CA :: 59.180 CB :: 29.550 CG :: 27.007 CD :: 43.268 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 :: 7.686 HA :: 4.105 HB2 :: 2.151 HB3 :: 1.944 HG2 :: 1.727 HG3 :: 1.720 HD2 :: 3.157 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 :: 120.000 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> E146 C Shift Assignments>> C :: 178.990 CA :: 65.584 CB :: 31.712 CG1 :: 22.680 CG2 :: 21.751 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 :: 7.510 HA :: 3.889 HB :: 2.164 HG1 :: 0.968 HG2 :: 0.953 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 :: 118.570 Ave N Shift Values>> N :: 121.02(4.96) L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.34 R 0.11 G 0.01 C Shift Assignments>> C :: 178.394 CA :: 57.420 CB :: 41.941 CG :: 27.004 CD1 :: 24.009 CD2 :: 25.970 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 :: 8.282 HA :: 4.105 HB2 :: 1.471 HB3 :: 1.870 HG :: 1.610 HD1 :: 0.828 HD2 :: 0.530 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.460 Ave N Shift Values>> N :: 121.98(4.07) A145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.24 C 0.02 C Shift Assignments>> C :: 178.149 CA :: 52.965 CB :: 19.094 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.594 HA :: 4.324 HB :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.261 Ave N Shift Values>> N :: 123.23(3.7) E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.09 K 0.08 M 0.04 Q 0.03 HN Overlap>> V143 C Shift Assignments>> C :: 176.853 CA :: 57.216 CB :: 29.540 CG :: 36.565 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.571 HA :: 4.295 HB2 :: 2.185 HG2 :: 2.580 HG3 :: 2.333 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 :: 118.654 Ave N Shift Values>> N :: 120.68(3.68) T147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.876 CA :: 61.865 CB :: 69.968 CG2 :: 21.689 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 :: 8.022 HA :: 4.410 HB :: 4.351 HG2 :: 1.266 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.356 Ave N Shift Values>> N :: 115.7(5.05) E148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.37 M 0.1 I 0.1 K 0.01 C Shift Assignments>> C :: 175.297 CA :: 58.410 CB :: 31.220 CG :: 36.827 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 :: 7.997 HA :: 4.187 HB2 :: 2.060 HB3 :: 1.916 HG2 :: 2.214 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 :: 128.953 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 137 #Clerical: 0 #Suspicious: 8 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 148 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 148 #Suspicious: 0 C Shift Results: #Consistent: 597 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 791 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 3 N Shift Results: #Consistent: 145 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: E20 HA = 2.774(S), Expected = 4.26, Std = 0.4300, ChiSquare = 5.4863e-04 E20 HB2 = 1.126(S), Expected = 2.04, Std = 0.2200, ChiSquare = 3.2593e-05 E20 HB3 = 1.050(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.6748e-05 E20 HG3 = 1.482(S), Expected = 2.31, Std = 0.2100, ChiSquare = 8.0517e-05 V21 H = 4.900(S), Expected = 8.29, Std = 0.7100, ChiSquare = 1.8002e-06 I39 H = 11.000(M), Expected = 8.26, Std = 0.7100, ChiSquare = 1.1378e-04 V67 HB = 0.391(S), Expected = 1.99, Std = 0.3300, ChiSquare = 1.2632e-06 V67 HG1 = -0.235(S), Expected = 0.84, Std = 0.2700, ChiSquare = 6.8487e-05 I81 HG13 = -0.233(S), Expected = 1.24, Std = 0.4000, ChiSquare = 2.3096e-04 Q92 H = 10.508(S), Expected = 8.22, Std = 0.6200, ChiSquare = 2.2397e-04 Q92 HE21 = 9.922(M), Expected = 7.17, Std = 0.4600, ChiSquare = 2.1959e-09 Q92 NE2 = 119.577(S), Expected = 111.81, Std = 2.2000, ChiSquare = 4.1485e-04 V96 CB = 39.124(S), Expected = 32.66, Std = 1.9100, ChiSquare = 7.1362e-04 L102 H = 10.498(S), Expected = 8.22, Std = 0.6500, ChiSquare = 4.5727e-04 L102 HD2 = -0.410(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.9335e-05 N108 HB2 = 1.615(S), Expected = 2.80, Std = 0.3400, ChiSquare = 4.9160e-04 A113 CB = 25.071(S), Expected = 18.90, Std = 1.8500, ChiSquare = 8.5092e-04 K134 HD3 = 0.125(M), Expected = 1.61, Std = 0.2500, ChiSquare = 2.8502e-09