Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.38 C 0.34 M 0.16 Q 0.05 K 0.03 I 0.01 C Shift Assignments>> C :: 175.9911 CA :: 56.4688 CB :: 30.7949 CG :: 36.1717 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 4.2844 HB2 :: 1.8238 HB3 :: 1.9409 HG2 :: 2.1066 HG3 :: 2.1681 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.F3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.35 C 0.21 C Shift Assignments>> C :: 175.7201 CA :: 57.7263 CB :: 39.5399 CD1 :: 131.4971 CD2 :: 131.4971 CE1 :: 131.2528 CE2 :: 131.2528 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.4481 HA :: 4.5412 HB2 :: 2.9371 HB3 :: 3.0365 HD1 :: 7.1297 HD2 :: 7.1297 HE1 :: 7.2375 HE2 :: 7.2375 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.5558 Ave N Shift Values>> N :: 120.45(4.18) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.28 R 0.06 G 0.02 A 0.01 C Shift Assignments>> C :: 177.3881 CA :: 55.2194 CB :: 42.4634 CG :: 27.0825 CD1 :: 23.6825 CD2 :: 25.1566 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2878 HA :: 4.3157 HB2 :: 1.5541 HB3 :: 1.6010 HG :: 1.5387 HD11 :: 0.8040 HD12 :: 0.8040 HD13 :: 0.8040 HD21 :: 0.8427 HD22 :: 0.8427 HD23 :: 0.8427 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.4811 Ave N Shift Values>> N :: 121.86(3.9) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.22 K 0.14 F 0.12 Y 0.09 C 0.06 N 0.05 R 0.02 C Shift Assignments>> C :: 176.8678 CA :: 55.3672 CB :: 41.2264 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3583 HA :: 4.5202 HB2 :: 2.7265 HB3 :: 2.7265 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.1644 Ave N Shift Values>> N :: 120.65(3.86) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6869 CA :: 59.4764 CB :: 63.5301 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1499 HA :: 4.4163 HB2 :: 3.9522 HB3 :: 4.0076 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.2641 Ave N Shift Values>> N :: 116.28(3.52) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.35 R 0.14 G 0.01 C Shift Assignments>> C :: 174.3945 CA :: 55.5514 CB :: 32.5656 CG :: 25.0479 CD :: 29.2206 CE :: 42.3692 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2360 HA :: 4.5716 HB2 :: 1.8979 HB3 :: 2.2432 HG2 :: 1.3392 HG3 :: 1.5290 HD2 :: 1.5841 HD3 :: 1.6843 HE2 :: 2.9315 HE3 :: 2.9315 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.7993 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.3 C Shift Assignments>> C :: 173.7547 CA :: 60.0468 CB :: 72.1334 CG2 :: 21.7337 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.5035 HA :: 5.5756 HB :: 3.7570 HG21 :: 0.8084 HG22 :: 0.8084 HG23 :: 0.8084 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.6230 Ave N Shift Values>> N :: 115.42(4.75) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.21 G 0.01 C Shift Assignments>> C :: 173.7297 CA :: 56.4535 CB :: 42.1141 CD1 :: 131.7972 CD2 :: 131.4971 CE1 :: 131.9966 CE2 :: 131.9966 CZ :: 128.7893 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.5268 HA :: 5.1339 HB2 :: 2.8312 HB3 :: 3.1777 HD1 :: 6.9305 HD2 :: 6.9305 HE1 :: 7.0050 HE2 :: 7.0040 HZ :: 6.9779 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.4684 Ave N Shift Values>> N :: 120.45(4.18) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.23 G 0.22 R 0.07 C Shift Assignments>> C :: 175.8670 CA :: 54.2898 CB :: 44.0808 CG :: 28.0320 CD1 :: 24.8467 CD2 :: 25.1590 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.6817 HA :: 5.1654 HB2 :: 1.7868 HB3 :: 1.9817 HG :: 1.7850 HD11 :: 0.8794 HD12 :: 0.8794 HD13 :: 0.8794 HD21 :: 0.9304 HD22 :: 0.9304 HD23 :: 0.9304 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.8703 Ave N Shift Values>> N :: 121.86(3.9) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.76 T 0.23 C Shift Assignments>> C :: 171.6642 CA :: 56.6250 CB :: 66.8731 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0503 HA :: 5.0312 HB2 :: 4.2347 HB3 :: 4.0143 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.1398 Ave N Shift Values>> N :: 116.28(3.52) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.43 R 0.02 K 0.01 C Shift Assignments>> C :: 174.0512 CA :: 54.8657 CB :: 36.1347 CG :: 28.3330 CD :: 44.2257 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6736 HA :: 5.3796 HB2 :: 1.7107 HB3 :: 1.8489 HG2 :: 1.6710 HG3 :: 1.6710 HD2 :: 3.0904 HD3 :: 3.0904 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.6135 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 F 0.12 C 0.07 C Shift Assignments>> C :: 177.0322 CA :: 55.8527 CB :: 45.1139 CD1 :: 130.2278 CD2 :: 130.2278 CE1 :: 130.2396 CE2 :: 130.2396 CZ :: 128.9369 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.2387 HA :: 5.6560 HB2 :: 2.7002 HB3 :: 3.2687 HD1 :: 6.4377 HD2 :: 6.4377 HE1 :: 6.0591(S) HE2 :: 6.0591 HZ :: 6.8591 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.0786 Ave N Shift Values>> N :: 120.45(4.18) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.4022 CA :: 57.3665 CB :: 64.5450 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1389 HA :: 4.8023 HB2 :: 3.9629 HB3 :: 4.4334 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.0317 Ave N Shift Values>> N :: 116.28(3.52) 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 M 0.09 A 0.02 C Shift Assignments>> C :: 177.5333 CA :: 55.8409 CB :: 28.0497 CG :: 30.7615 CE :: 14.5893 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.8535 HA :: 4.6147 HB2 :: 2.0095 HB3 :: 2.1225 HG2 :: 2.2281 HG3 :: 2.6362 HE1 :: 1.8486 HE2 :: 1.8486 HE3 :: 1.8486 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.8300 Ave N Shift Values>> N :: 120.09(3.57) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.2 C 0.08 F 0.06 Y 0.06 L 0.05 C Shift Assignments>> C :: 174.7339 CA :: 52.9724 CB :: 39.0544 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1759 HA :: 4.6348 HB2 :: 2.5859 HB3 :: 2.8354 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.1061 Ave N Shift Values>> N :: 120.65(3.86) 1.M17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 M 0.12 A 0.09 I 0.01 C Shift Assignments>> C :: 174.4241 CA :: 55.3612 CB :: 28.0074 CG :: 33.5333 CE :: 15.4806 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.3880 HA :: 3.8172 HB2 :: 1.9522 HB3 :: 1.9522 HG2 :: 2.3311 HG3 :: 2.3311 HE1 :: 1.0777 HE2 :: 1.0777 HE3 :: 1.0777 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.6161 Ave N Shift Values>> N :: 120.09(3.57) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.29 R 0.23 G 0.01 C Shift Assignments>> C :: 177.8528 CA :: 54.5987 CB :: 33.8846 CG :: 25.6024 CD :: 29.2753 CE :: 42.4683 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.4387 HA :: 5.1809 HB2 :: 1.2418 HB3 :: 1.7600 HG2 :: 0.9680 HG3 :: 1.1861 HD2 :: 1.5215 HD3 :: 1.5215 HE2 :: 2.8661 HE3 :: 2.8661 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.2564 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 178.8952 CA :: 60.6539 CB :: 40.4311 CD1 :: 132.5428 CD2 :: 132.5518 CE1 :: 130.8688 CE2 :: 130.8688 CZ :: 129.1920 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.7732 HA :: 4.3329 HB2 :: 2.3891 HB3 :: 3.4485 HD1 :: 7.1401 HD2 :: 7.1367 HE1 :: 7.0790 HE2 :: 7.0602 HZ :: 7.1734 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.2698 Ave N Shift Values>> N :: 120.45(4.18) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 175.3045 CA :: 61.3910 CB :: 70.0705 CG2 :: 22.4966 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.5187 HA :: 4.5744 HB :: 4.4148 HG21 :: 1.2825 HG22 :: 1.2825 HG23 :: 1.2825 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.3755 Ave N Shift Values>> N :: 115.42(4.75) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.26 C Shift Assignments>> C :: 173.8719 CA :: 59.0195 CB :: 41.6451 CD1 :: 132.0315 CD2 :: 132.0315 CE1 :: 118.4041 CE2 :: 118.4041 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.7844 HA :: 4.5026 HB2 :: 2.3624 HB3 :: 3.5063 HD1 :: 6.8369 HD2 :: 6.8369 HE1 :: 6.7034 HE2 :: 6.7036 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.5294 Ave N Shift Values>> N :: 120.52(4.2) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.17 E 0.13 R 0.11 H 0.1 Q 0.09 K 0.07 I 0.05 M 0.03 V 0.03 C Shift Assignments>> C :: 170.9543 CA :: 59.1161 CB :: 29.9893 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.4974 HA :: 4.4016 HB2 :: 2.2222 HB3 :: 2.3688 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.8021 Ave N Shift Values>> N :: 120.17(4.64) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.25 D 0.15 K 0.05 G 0.05 F 0.04 C 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 175.7099 CA :: 54.2748 CB :: 43.2217 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.0607 HA :: 4.4910 HB2 :: 3.0338 HB3 :: 3.3251 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.4059 Ave N Shift Values>> N :: 120.65(3.86) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 L 0.16 D 0.14 K 0.11 C 0.09 I 0.03 N 0.02 C Shift Assignments>> C :: 178.2775 CA :: 56.9124 CB :: 40.7968 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4441 HA :: 4.1659 HB2 :: 2.7515 HB3 :: 2.7515 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.5491 Ave N Shift Values>> N :: 120.65(3.86) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.43 K 0.06 G 0.06 C Shift Assignments>> C :: 177.1660 CA :: 58.2991 CB :: 30.5080 CG :: 27.6485 CD :: 43.3551 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6612 HA :: 4.1281 HB2 :: 1.8567 HB3 :: 2.0941 HG2 :: 1.8568 HG3 :: 1.8568 HD2 :: 3.3549 HD3 :: 3.4584 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.3684 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 176.4835 CA :: 63.9465 CB :: 38.3514 CG1 :: 29.3098 CG2 :: 16.3483 CD1 :: 15.0196 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.4761 HA :: 3.2245 HB :: 1.0032 HG12 :: 0.4729 HG13 :: 0.8543 HG21 :: 0.6216 HG22 :: 0.6216 HG23 :: 0.6216 HD11 :: 0.2583 HD12 :: 0.2583 HD13 :: 0.2583 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.7716 Ave N Shift Values>> N :: 121.46(4.28) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.5950 CA :: 66.3058 CB :: 68.0268 CG2 :: 22.4478 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.5553 HA :: 3.7184 HB :: 3.9047 HG1 :: 0.9840 HG21 :: 0.8326 HG22 :: 0.8326 HG23 :: 0.8326 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.5767 Ave N Shift Values>> N :: 115.42(4.75) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.08 K 0.06 Q 0.04 M 0.04 C Shift Assignments>> C :: 176.9497 CA :: 58.3848 CB :: 29.9242 CG :: 36.2635 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.8289 HA :: 4.0117 HB2 :: 2.0846 HB3 :: 2.0293 HG2 :: 2.2399 HG3 :: 2.2929 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.4239 Ave N Shift Values>> N :: 120.67(3.48) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.3 G 0.15 R 0.11 C Shift Assignments>> C :: 177.3167 CA :: 56.8364 CB :: 43.9520 CG :: 26.9208 CD1 :: 26.2961 CD2 :: 22.9455 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.1370 HA :: 4.3574 HB2 :: 1.4288 HB3 :: 1.5926 HG :: 1.8148 HD11 :: 0.8457 HD12 :: 0.8457 HD13 :: 0.8457 HD21 :: 0.9866 HD22 :: 0.9866 HD23 :: 0.9866 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.5491 Ave N Shift Values>> N :: 121.86(3.9) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 176.4896 CA :: 61.0067 CB :: 40.8162 CG1 :: 27.8098 CG2 :: 19.4772 CD1 :: 14.0876 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.1873 HA :: 4.4505 HB :: 1.9480 HG12 :: 1.0265 HG13 :: 1.2972 HG21 :: 1.0726 HG22 :: 1.0726 HG23 :: 1.0726 HD11 :: 0.8831 HD12 :: 0.8831 HD13 :: 0.8831 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 110.9364 Ave N Shift Values>> N :: 121.46(4.28) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 173.7547 CA :: 46.3884 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6736 HA2 :: 3.8393 HA3 :: 4.0346 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7383 Ave N Shift Values>> N :: 109.67(3.87) 1.Y32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 175.9996 CA :: 57.8779 CB :: 39.9733 CD1 :: 132.2106 CD2 :: 132.2106 CE1 :: 117.6378 CE2 :: 117.6378 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 5.8760(S) HA :: 4.3110 HB2 :: 1.7640 HB3 :: 2.7697 HD1 :: 6.6312 HD2 :: 6.6312 HE1 :: 6.9212 HE2 :: 6.9212 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.5759 Ave N Shift Values>> N :: 120.52(4.2) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.36 C 0.25 C Shift Assignments>> CA :: 55.4487 CB :: 30.1836 CD2 :: 119.8941 CE1 :: 137.8462 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.7971 HA :: 4.5685 HB2 :: 3.0219 HB3 :: 3.2448 HD2 :: 7.1343 HE1 :: 7.8937 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 123.8421 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P34 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 :: 177.7507 CA :: 66.6049 CB :: 32.3471 CG :: 28.2125 CD :: 49.9169 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.5521 HB2 :: 1.8533 HB3 :: 2.1183 HG2 :: 1.5513 HG3 :: 2.1165 HD2 :: 3.2729 HD3 :: 3.4509 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 I 0.24 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.3160 CA :: 59.2335 CB :: 28.9793 CG :: 36.7540 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.8121 HA :: 3.9162 HB2 :: 2.0315 HB3 :: 2.0315 HG2 :: 2.2996 HG3 :: 2.2996 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.7788 Ave N Shift Values>> N :: 120.67(3.48) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.31 I 0.08 M 0.05 C Shift Assignments>> C :: 176.2439 CA :: 57.7067 CB :: 30.6235 CG :: 37.7475 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.9369 HA :: 4.2187 HB2 :: 2.0722 HB3 :: 2.3568 HG2 :: 2.2053 HG3 :: 2.6152 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.4159 Ave N Shift Values>> N :: 120.67(3.48) 1.L37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.61 C 0.25 A 0.1 R 0.01 C Shift Assignments>> C :: 176.8901 CA :: 55.0442 CB :: 41.7358 CG :: 26.3409 CD1 :: 25.3258 CD2 :: 22.1287 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.1269 HA :: 3.8030 HB2 :: -0.0039(S) HB3 :: 0.8198 HG :: 0.5621 HD11 :: -0.3547(S) HD12 :: -0.3547(S) HD13 :: -0.3547(S) HD21 :: -0.9303(S) HD22 :: -0.9303(S) HD23 :: -0.9303(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.2296 Ave N Shift Values>> N :: 121.86(3.9) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.38 A 0.02 C Shift Assignments>> C :: 178.4747 CA :: 56.7827 CB :: 40.8490 CG :: 26.3955 CD1 :: 24.9661 CD2 :: 22.2657 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.7120 HA :: 3.7374 HB2 :: 1.3643 HB3 :: 1.6505 HG :: 1.7042 HD11 :: 0.8717 HD12 :: 0.8717 HD13 :: 0.8717 HD21 :: 0.5822 HD22 :: 0.5822 HD23 :: 0.5822 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.6359 Ave N Shift Values>> N :: 121.86(3.9) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.9861 CA :: 45.4955 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0870 HA2 :: 3.8017 HA3 :: 4.3021 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4785 Ave N Shift Values>> N :: 109.67(3.87) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.31 K 0.1 G 0.04 HN Overlap>> 1.T55 1.T55 C Shift Assignments>> C :: 176.3815 CA :: 54.7959 CB :: 30.8932 CG :: 27.3082 CD :: 42.9484 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.3957 HA :: 4.6137 HB2 :: 2.1194 HB3 :: 2.2084 HG2 :: 1.5844 HG3 :: 1.7114 HD2 :: 3.2585 HD3 :: 3.3091 HE :: 7.5682 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.8421 NE :: 84.1494 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7574 CA :: 58.9723 CB :: 63.6237 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9430 HA :: 4.6137 HB2 :: 3.7556 HB3 :: 3.8784 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.2920 Ave N Shift Values>> N :: 116.28(3.52) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.32 I 0.05 C 0.03 C Shift Assignments>> C :: 178.1701 CA :: 55.6596 CB :: 18.2980 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5074 HA :: 4.0080 HB1 :: 0.8878 HB2 :: 0.8878 HB3 :: 0.8878 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.6874 Ave N Shift Values>> N :: 123.23(3.54) 1.S43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.3363 CA :: 58.7848 CB :: 62.2919 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5074 HB2 :: 3.0108(S) HB3 :: 3.4879 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 107.8761 Ave N Shift Values>> N :: 116.28(3.52) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.31 I 0.22 K 0.03 C Shift Assignments>> C :: 176.6734 CA :: 58.2437 CB :: 28.9188 CG :: 37.3199 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.2850 HA :: 3.7881 HB2 :: 1.4264 HB3 :: 1.5046 HG2 :: 1.9345 HG3 :: 2.0105 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.4794 Ave N Shift Values>> N :: 120.67(3.48) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.26 C Shift Assignments>> C :: 175.1228 CA :: 56.8784 CB :: 40.5767 CD1 :: 131.4849 CD2 :: 131.4849 CE1 :: 130.7796 CE2 :: 130.7796 CZ :: 128.9713 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.5438 HA :: 4.5596 HB2 :: 3.0451 HB3 :: 3.6452 HD1 :: 7.2243 HD2 :: 7.2243 HE1 :: 6.8498 HE2 :: 6.8498 HZ :: 6.6497 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.1983 Ave N Shift Values>> N :: 120.45(4.18) 1.W46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.44 C Shift Assignments>> C :: 176.7287 CA :: 54.4780 CB :: 29.6580 CD1 :: 123.5436 CE3 :: 120.6773 CZ2 :: 113.7150 CZ3 :: 122.1542 CH2 :: 123.6445 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.9055 HA :: 5.5805 HB2 :: 3.0277 HB3 :: 3.2807 HD1 :: 7.0290 HE1 :: 10.0524 HE3 :: 7.3961 HZ2 :: 6.6579 HZ3 :: 6.9801 HH2 :: 6.6525 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.0835 NE1 :: 128.4745 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.25 H 0.22 C Shift Assignments>> C :: 176.8642 CA :: 58.6739 CB :: 32.9888 CE1 :: 138.0130 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.5994 HA :: 3.9586 HB2 :: 2.5309 HB3 :: 3.0128 HE1 :: 7.5143 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 124.2385 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 A 0.39 C 0.05 I 0.05 V 0.02 L 0.01 C Shift Assignments>> C :: 181.3875 CA :: 55.8101 CB :: 18.9920 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5931 HA :: 4.2100 HB1 :: 1.4082 HB2 :: 1.4082 HB3 :: 1.4082 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.3689 Ave N Shift Values>> N :: 123.23(3.54) 1.L49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.54 C 0.39 R 0.03 A 0.02 C Shift Assignments>> C :: 178.4982 CA :: 56.9077 CB :: 41.4833 CG :: 27.1849 CD1 :: 25.5356 CD2 :: 22.3159 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 11.4088(S) HA :: 4.3017 HB2 :: 1.4713 HB3 :: 1.7750 HG :: 1.8822 HD11 :: 0.8701 HD12 :: 0.8701 HD13 :: 0.8701 HD21 :: 0.9474 HD22 :: 0.9474 HD23 :: 0.9474 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.8258 Ave N Shift Values>> N :: 121.86(3.9) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.27 G 0.13 D 0.09 C 0.05 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 176.5557 CA :: 54.9160 CB :: 43.8479 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.0925 HA :: 5.1274 HB2 :: 2.6136 HB3 :: 2.9813 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.0266 Ave N Shift Values>> N :: 120.65(3.86) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.5551 CA :: 62.5329 CB :: 63.3306 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5388 HA :: 4.0220 HB2 :: 4.1654 HB3 :: 4.1132 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.5430 Ave N Shift Values>> N :: 116.28(3.52) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.32 E 0.24 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.9649 CA :: 60.2240 CB :: 28.8710 CG :: 36.6084 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0065 HA :: 4.0943 HB2 :: 2.0261 HB3 :: 2.0765 HG2 :: 2.1947 HG3 :: 2.3393 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.9404 Ave N Shift Values>> N :: 120.67(3.48) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.19 F 0.14 N 0.14 E 0.14 M 0.04 D 0.04 I 0.03 L 0.01 C Shift Assignments>> C :: 178.8939 CA :: 55.9209 CB :: 37.6029 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.5205 HA :: 4.4041 HB2 :: 2.7439 HB3 :: 2.8534 HD21 :: 7.9953 HD22 :: 6.9663 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.1448 ND2 :: 113.0587 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.91 M 0.06 A 0.02 C Shift Assignments>> C :: 178.9659 CA :: 55.6934 CB :: 27.3848 CG :: 31.8518 CE :: 14.3154 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.9572 HA :: 4.0996 HB2 :: 0.5853(S) HB3 :: -0.1674(S) HG2 :: 0.5220(S) HG3 :: 1.7426 HE1 :: 0.7585 HE2 :: 0.7585 HE3 :: 0.7585 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.8175 Ave N Shift Values>> N :: 120.09(3.57) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.R40 1.R40 C Shift Assignments>> C :: 177.0599 CA :: 67.3980 CB :: 68.6802 CG2 :: 21.3653 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.3277 HA :: 3.9831 HB :: 4.4073 HG1 :: 5.5183 HG21 :: 1.3105 HG22 :: 1.3105 HG23 :: 1.3105 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.8375 Ave N Shift Values>> N :: 115.42(4.75) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.4 R 0.13 G 0.01 C Shift Assignments>> CA :: 59.6164 CB :: 31.9217 CG :: 25.4749 CD :: 29.3053 CE :: 42.2392 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.8545 HA :: 4.0721 HB2 :: 1.9166 HB3 :: 1.9166 HG2 :: 1.5983 HG3 :: 1.4435 HD2 :: 1.6847 HD3 :: 1.6847 HE2 :: 2.9654 HE3 :: 2.9654 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.1302 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.6273 CB :: 62.6372 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1157 HA :: 4.2160 HB2 :: 3.6632 HB3 :: 3.9614 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.3705 Ave N Shift Values>> N :: 116.28(3.52) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 H 0.34 W 0.16 C Shift Assignments>> CA :: 59.1579 CB :: 30.5393 CD2 :: 116.6629 CE1 :: 137.5529 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.9088 HA :: 4.1962 HB2 :: 3.3447 HB3 :: 3.1591 HD2 :: 6.7638 HE1 :: 7.4067 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.5971 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.22 R 0.07 E 0.06 I 0.03 M 0.01 C Shift Assignments>> CA :: 58.8062 CB :: 28.1982 CG :: 33.9769 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.8910 HA :: 3.9492 HB2 :: 2.0981 HB3 :: 2.2135 HG2 :: 2.4123 HG3 :: 2.5408 HE21 :: 7.4106 HE22 :: 6.8150 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.4848 NE2 :: 111.5643 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.24 C 0.19 I 0.13 E 0.04 D 0.02 L 0.02 N 0.01 M 0.01 C Shift Assignments>> CA :: 58.0442 CB :: 38.4766 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.2968 HA :: 4.5724 HB2 :: 2.8095 HB3 :: 2.9104 HD21 :: 6.9806 HD22 :: 7.4977 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 112.2953 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.46 R 0.03 C Shift Assignments>> CA :: 58.1731 CB :: 41.3687 CG :: 26.8119 CD1 :: 24.8700 CD2 :: 26.1120 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1119 HA :: 3.8518 HB2 :: 1.6202 HB3 :: 1.9387 HG :: 1.4260 HD11 :: 0.7720 HD12 :: 0.7720 HD13 :: 0.7720 HD21 :: 0.8150 HD22 :: 0.8150 HD23 :: 0.8150 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.1526 Ave N Shift Values>> N :: 121.86(3.9) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 I 0.38 C 0.12 W 0.02 R 0.01 C Shift Assignments>> CA :: 62.7883 CB :: 26.9959 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.8964 HA :: 4.0441 HB2 :: 2.9651 HB3 :: 2.8895 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.8445 Ave N Shift Values>> N :: 120.17(4.64) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.5348 CA :: 63.9531 CB :: 69.5763 CG2 :: 22.0755 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.6730 HA :: 4.3106 HB :: 4.2386 HG21 :: 1.2466 HG22 :: 1.2466 HG23 :: 1.2466 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.9333 Ave N Shift Values>> N :: 115.42(4.75) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.19 R 0.19 K 0.08 C Shift Assignments>> C :: 177.9951 CA :: 57.1466 CB :: 34.1669 CG :: 25.3447 CD :: 28.9002 CE :: 44.0914 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2849 HA :: 4.4530 HB2 :: 1.9872 HB3 :: 1.8921 HG2 :: 1.5022 HG3 :: 1.5639 HD2 :: 1.5389 HD3 :: 1.5389 HE2 :: 2.9998 HE3 :: 2.9998 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.9805 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 173.3344 CA :: 46.3524 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4713 HA2 :: 3.8494 HA3 :: 4.4639 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9370 Ave N Shift Values>> N :: 109.67(3.87) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.27 Q 0.24 E 0.04 K 0.03 C Shift Assignments>> C :: 174.5080 CA :: 55.2490 CB :: 31.5085 CG :: 33.6717 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.3247 HA :: 5.0805 HB2 :: 2.1096 HB3 :: 2.1538 HG2 :: 2.2850 HG3 :: 2.3965 HE21 :: 7.5278 HE22 :: 6.7995 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.4516 NE2 :: 111.5643 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> CA :: 61.5482 CB :: 35.9312 CG1 :: 21.2788 CG2 :: 21.9251 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.6374 HA :: 4.5067 HB :: 1.9688 HG11 :: 0.7940 HG12 :: 0.7940 HG13 :: 0.7940 HG21 :: 0.9788 HG22 :: 0.9788 HG23 :: 0.9788 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.6331 Ave N Shift Values>> N :: 121.14(4.54) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> CA :: 61.3944 CB :: 33.6371 CG1 :: 21.3430 CG2 :: 21.3430 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4100 HA :: 4.6769 HB :: 2.0394 HG11 :: 0.9735 HG12 :: 0.9735 HG13 :: 0.9735 HG21 :: 0.9735 HG22 :: 0.9735 HG23 :: 0.9735 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.2779 Ave N Shift Values>> N :: 121.14(4.54) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.26 V 0.22 P 0.17 T 0.17 I 0.12 C 0.02 C Shift Assignments>> CB :: 64.8421 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9606 HB2 :: 4.0306 HB3 :: 3.7289 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.7896 Ave N Shift Values>> N :: 116.28(3.52) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.5917 CA :: 45.1101 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9712 HA2 :: 4.0926 HA3 :: 4.2706 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.8310 Ave N Shift Values>> N :: 109.67(3.87) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.25 E 0.11 R 0.03 M 0.02 C Shift Assignments>> C :: 176.5521 CA :: 56.5684 CB :: 28.9945 CG :: 34.2288 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.6231 HA :: 5.3672 HB2 :: 2.0205 HB3 :: 2.0991 HG2 :: 2.2677 HG3 :: 2.5183 HE21 :: 7.2666 HE22 :: 6.5066 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.9805 NE2 :: 110.6661 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 171.1693 CA :: 56.2783 CB :: 40.8826 CD1 :: 134.1936 CD2 :: 134.1936 CE1 :: 116.5091 CE2 :: 116.5091 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.5506 HA :: 4.8172 HB2 :: 3.0312 HB3 :: 2.4978 HD1 :: 7.0528 HD2 :: 7.0528 HE1 :: 6.6471 HE2 :: 6.6471 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.3245 Ave N Shift Values>> N :: 120.52(4.2) 1.R73 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.47 K 0.24 G 0.17 R 0.08 A 0.01 C Shift Assignments>> C :: 174.7667 CA :: 54.0259 CB :: 32.6653 CG :: 24.3737 CD :: 43.4682 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.5583 HA :: 4.5311 HB2 :: 0.9233 HB3 :: 1.3373 HG2 :: -0.9569(A) HG3 :: -0.2477(S) HD2 :: 1.7955(S) HD3 :: 1.1710(S) HE :: 7.4642 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.4142 NE :: 85.5342 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HD3 > HB3 : 0.9958) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 C 0.27 M 0.12 C Shift Assignments>> C :: 175.3271 CA :: 53.9003 CB :: 36.0269 CG :: 34.1261 CE :: 18.3155 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.0581 HA :: 5.5814 HB2 :: 1.9459 HB3 :: 2.0357 HG2 :: 3.1075 HG3 :: 2.9333 HE1 :: 1.8862 HE2 :: 1.8862 HE3 :: 1.8862 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.7291 Ave N Shift Values>> N :: 120.09(3.57) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 R 0.03 G 0.02 C Shift Assignments>> C :: 176.6928 CA :: 55.7792 CB :: 42.5986 CG :: 26.8664 CD1 :: 23.8892 CD2 :: 24.8239 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.3917 HA :: 4.1100 HB2 :: 1.6596 HB3 :: 1.9039 HG :: 1.6080 HD11 :: 0.6846 HD12 :: 0.6846 HD13 :: 0.6846 HD21 :: 0.9083 HD22 :: 0.9083 HD23 :: 0.9083 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.2972 Ave N Shift Values>> N :: 121.86(3.9) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 C 0.01 C Shift Assignments>> C :: 177.9540 CA :: 51.0443 CB :: 19.7202 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8394 HA :: 4.5111 HB1 :: 1.2209 HB2 :: 1.2209 HB3 :: 1.2209 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.2028 Ave N Shift Values>> N :: 123.23(3.54) 1.K77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 G 0.01 C Shift Assignments>> CA :: 59.2049 CB :: 32.3190 CG :: 24.4099 CD :: 29.3207 CE :: 42.2771 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.6979 HA :: 3.3599 HB2 :: 0.9766 HB3 :: 0.0321(S) HG2 :: 0.5888 HG3 :: 0.5888 HD2 :: 1.3240 HD3 :: 1.1515 HE2 :: 2.7781 HE3 :: 2.7781 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.9839 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.36 C 0.25 C Shift Assignments>> C :: 175.4534 CA :: 55.7721 CB :: 29.4842 CD2 :: 119.4977 CE1 :: 138.1724 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.8614 HA :: 4.6289 HB2 :: 3.0379 HB3 :: 3.2428 HD2 :: 6.9259 HE1 :: 7.6732 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.0657 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.5506 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.2459 HA2 :: 3.6497 HA3 :: 4.5111 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.1782 Ave N Shift Values>> N :: 109.67(3.87) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.5709 CA :: 44.6742 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0470 HA2 :: 3.9463 HA3 :: 4.1246 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.2707 Ave N Shift Values>> N :: 109.67(3.87) 1.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.24 G 0.01 C Shift Assignments>> C :: 174.2881 CA :: 57.1277 CB :: 41.9708 CD1 :: 133.1370 CD2 :: 133.1370 CE1 :: 118.5232 CE2 :: 118.5232 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.3989 HA :: 5.4472 HB2 :: 2.6995 HB3 :: 2.6995 HD1 :: 6.7920 HD2 :: 6.7920 HE1 :: 6.6580 HE2 :: 6.6580 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.2704 Ave N Shift Values>> N :: 120.52(4.2) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.35 C Shift Assignments>> C :: 174.6677 CA :: 59.7164 CB :: 35.6061 CG1 :: 21.9120 CG2 :: 21.9120 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.8904 HA :: 4.5060 HB :: 1.9712 HG11 :: 0.9777 HG12 :: 0.9777 HG13 :: 0.9777 HG21 :: 0.9777 HG22 :: 0.9777 HG23 :: 0.9777 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.8518 Ave N Shift Values>> N :: 121.14(4.54) 1.W83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 C Shift Assignments>> C :: 175.3266 CA :: 57.4096 CB :: 31.1685 CD1 :: 126.7552 CE3 :: 120.0841 CZ2 :: 114.1440 CZ3 :: 121.1269 CH2 :: 124.3909 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.5226 HA :: 4.8890 HB2 :: 2.9091 HB3 :: 2.9752 HD1 :: 7.3586 HE1 :: 10.2244 HE3 :: 7.2678 HZ2 :: 7.3036 HZ3 :: 6.8303 HH2 :: 7.0214 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.1583 NE1 :: 129.2879 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 G 0.29 L 0.01 C Shift Assignments>> CA :: 53.7301 CB :: 47.3846 CG :: 27.6059 CD1 :: 27.1227 CD2 :: 28.2609 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.5271 HA :: 5.4646 HB2 :: 1.0000 HB3 :: 1.2013 HG :: 1.4762 HD11 :: 0.8485 HD12 :: 0.8485 HD13 :: 0.8485 HD21 :: 0.9055 HD22 :: 0.9055 HD23 :: 0.9055 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.5589 Ave N Shift Values>> N :: 121.86(3.9) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 M 0.1 E 0.09 C Shift Assignments>> C :: 175.1649 CA :: 56.7711 CB :: 33.9663 CG :: 37.1464 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4245 HA :: 4.7747 HB2 :: 2.0442 HB3 :: 1.9989 HG2 :: 2.1932 HG3 :: 2.1309 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.7766 Ave N Shift Values>> N :: 120.67(3.48) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 C 0.41 C Shift Assignments>> C :: 172.9928 CA :: 62.1780 CB :: 72.4051 CG2 :: 23.0730 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.2176 HA :: 5.4518 HB :: 3.8811 HG1 :: 6.1304 HG21 :: 1.2065 HG22 :: 1.2065 HG23 :: 1.2065 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.6749 Ave N Shift Values>> N :: 115.42(4.75) 1.Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 M 0.24 C 0.23 K 0.13 E 0.08 C Shift Assignments>> C :: 175.3400 CA :: 54.9582 CB :: 30.5552 CG :: 33.9681 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.2020 HA :: 5.1436 HB2 :: 2.1181 HB3 :: 2.2413 HG2 :: 2.4358 HG3 :: 2.4358 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 128.0847 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 A 0.32 M 0.13 C Shift Assignments>> CA :: 54.9219 CB :: 37.5334 CG :: 33.9091 CE :: 16.9581 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.2831 HA :: 5.4998 HB2 :: 1.7822 HB3 :: 1.9618 HG2 :: 2.2717 HG3 :: 2.3513 HE1 :: 1.6841 HE2 :: 1.6841 HE3 :: 1.6841 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 125.2143 Ave N Shift Values>> N :: 120.09(3.57) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 173.0598 CA :: 61.5966 CB :: 72.3588 CG2 :: 21.4999 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.8632 HA :: 4.9040 HB :: 3.8967 HG1 :: 5.7848 HG21 :: 1.2475 HG22 :: 1.2475 HG23 :: 1.2475 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.7256 Ave N Shift Values>> N :: 115.42(4.75) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 174.2034 CA :: 63.3165 CB :: 32.6107 CG1 :: 21.7175 CG2 :: 22.9389 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5853 HA :: 4.1294 HB :: 1.9820 HG11 :: 0.3448 HG12 :: 0.3448 HG13 :: 0.3448 HG21 :: 0.8677 HG22 :: 0.8677 HG23 :: 0.8677 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.9281 Ave N Shift Values>> N :: 121.14(4.54) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.3 A 0.01 C Shift Assignments>> C :: 175.4406 CA :: 58.3477 CB :: 36.8253 CG1 :: 27.4599 CG2 :: 17.4015 CD1 :: 10.3936 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.7217 HA :: 4.3477 HB :: 2.1661 HG12 :: 1.1930 HG13 :: 1.4417 HG21 :: 0.8605 HG22 :: 0.8605 HG23 :: 0.8605 HD11 :: 0.6993 HD12 :: 0.6993 HD13 :: 0.6993 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.7436 Ave N Shift Values>> N :: 121.46(4.28) 1.Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 175.3788 CA :: 57.3085 CB :: 40.4929 CD1 :: 132.8430 CD2 :: 132.8430 CE1 :: 118.1760 CE2 :: 118.1760 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.8951 HA :: 4.3466 HB2 :: 2.4747 HB3 :: 2.6482 HD1 :: 6.9069 HD2 :: 6.9069 HE1 :: 6.8014 HE2 :: 6.8014 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.2704 Ave N Shift Values>> N :: 120.52(4.2) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.21 C 0.07 L 0.05 F 0.04 Y 0.03 C Shift Assignments>> CA :: 51.5441 CB :: 39.3925 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.8949 HA :: 4.6906 HB2 :: 2.7621 HB3 :: 3.5726 HD21 :: 7.6404 HD22 :: 7.0883 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.0433 ND2 :: 113.8699 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.43 V 0.42 C 0.11 W 0.01 I 0.01 C Shift Assignments>> C :: 177.1711 CA :: 64.2056 CB :: 32.1510 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.3164 HB2 :: 2.2160 HB3 :: 2.2160 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.41 K 0.09 G 0.03 C Shift Assignments>> C :: 176.9976 CA :: 57.4931 CB :: 30.3625 CG :: 27.4875 CD :: 43.0299 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2401 HA :: 4.2186 HB2 :: 1.7786 HB3 :: 1.7786 HG2 :: 1.5423 HG3 :: 1.5981 HD2 :: 3.1641 HD3 :: 3.1641 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.9431 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.18 C 0.07 F 0.04 L 0.04 Y 0.04 C Shift Assignments>> C :: 175.2806 CA :: 51.9789 CB :: 39.0109 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.2201 HA :: 4.7572 HB2 :: 2.6273 HB3 :: 3.1592 HD21 :: 7.3804 HD22 :: 6.6547 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.9707 ND2 :: 109.3204 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 L 0.31 A 0.02 C Shift Assignments>> C :: 175.9704 CA :: 56.5830 CB :: 38.6668 CG :: 27.4228 CD1 :: 22.7859 CD2 :: 24.9473 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3850 HA :: 3.9854 HB2 :: 1.6160 HB3 :: 1.9326 HG :: 1.4102 HD11 :: 0.7114 HD12 :: 0.7114 HD13 :: 0.7114 HD21 :: 0.7871 HD22 :: 0.7871 HD23 :: 0.7871 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.3688 Ave N Shift Values>> N :: 121.86(3.9) 1.Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.22 R 0.13 M 0.06 C Shift Assignments>> CA :: 53.6910 CB :: 28.3552 CG :: 33.0772 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1439 HA :: 4.7498 HB2 :: 1.9330 HB3 :: 2.0634 HG2 :: 2.3229 HG3 :: 2.3229 HE21 :: 7.4452 HE22 :: 6.9020 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.9080 NE2 :: 112.5606 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.0432 CA :: 64.1187 CB :: 32.0381 CG :: 27.9616 CD :: 50.8715 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.9701 HB2 :: 1.9223 HB3 :: 1.9769 HG2 :: 2.0888 HG3 :: 2.2663 HD2 :: 3.8211 HD3 :: 4.0426 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.37 Q 0.16 E 0.08 C Shift Assignments>> C :: 175.3872 CA :: 56.9383 CB :: 32.2587 CG :: 34.1033 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.5459 HA :: 4.5223 HB2 :: 1.9228 HB3 :: 1.9622 HG2 :: 2.2551 HG3 :: 2.3398 HE21 :: 7.2030 HE22 :: 6.9716 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.9531 NE2 :: 111.9919 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.14 H 0.13 E 0.13 W 0.13 C 0.11 R 0.11 M 0.03 I 0.01 C Shift Assignments>> C :: 170.4687 CA :: 56.5320 CB :: 29.3383 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.8864 HA :: 4.7095 HB2 :: 3.2354 HB3 :: 3.1565 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 112.2317 Ave N Shift Values>> N :: 120.17(4.64) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.38 G 0.01 C Shift Assignments>> C :: 175.5269 CA :: 60.2412 CB :: 41.8414 CG1 :: 25.1959 CG2 :: 18.6341 CD1 :: 15.0053 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.0044 HA :: 4.7407 HB :: 1.7811 HG12 :: 0.8758 HG13 :: 0.8758 HG21 :: 0.8582 HG22 :: 0.8582 HG23 :: 0.8582 HD11 :: 0.8881 HD12 :: 0.8881 HD13 :: 0.8881 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.4658 Ave N Shift Values>> N :: 121.46(4.28) 1.M103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.29 C 0.26 C Shift Assignments>> C :: 174.3465 CA :: 54.3781 CB :: 34.4597 CG :: 32.6490 CE :: 17.3957 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.1796 HA :: 5.0030 HB2 :: 1.8860 HB3 :: 2.1407 HG2 :: 2.5216 HG3 :: 2.5216 HE1 :: 2.0037 HE2 :: 2.0037 HE3 :: 2.0037 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 126.4049 Ave N Shift Values>> N :: 120.09(3.57) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 L 0.32 C 0.13 K 0.01 C Shift Assignments>> C :: 174.9158 CA :: 50.5931 CB :: 22.5595 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.2138 HA :: 5.5964 HB1 :: 1.3973 HB2 :: 1.3973 HB3 :: 1.3973 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.6429 Ave N Shift Values>> N :: 123.23(3.54) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 173.9679 CA :: 62.3662 CB :: 33.1822 CG1 :: 21.0900 CG2 :: 20.9720 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.7091 HA :: 4.0353 HB :: 1.9090 HG11 :: 0.5990 HG12 :: 0.5990 HG13 :: 0.5990 HG21 :: 0.8600 HG22 :: 0.8600 HG23 :: 0.8600 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.5146 Ave N Shift Values>> N :: 121.14(4.54) 1.N106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.16 K 0.07 C 0.05 F 0.04 Y 0.02 R 0.02 C Shift Assignments>> C :: 172.0515 CA :: 51.9520 CB :: 41.6309 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.8839 HA :: 5.1688 HB2 :: 1.4763(S) HB3 :: 1.2784(S) HD21 :: 6.7092 HD22 :: 6.3487 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.3526 ND2 :: 118.0648 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 174.7568 CA :: 56.5959 CB :: 39.7182 CD1 :: 133.2103 CD2 :: 133.2103 CE1 :: 117.9544 CE2 :: 117.9544 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.3977 HA :: 4.8682 HB2 :: 2.8543 HB3 :: 2.8543 HD1 :: 7.0028 HD2 :: 7.0028 HE1 :: 6.6300 HE2 :: 6.6300 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.7137 Ave N Shift Values>> N :: 120.52(4.2) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 176.5381 CA :: 63.4631 CB :: 31.6879 CG1 :: 22.8601 CG2 :: 22.3970 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.7575 HA :: 4.3076 HB :: 2.2186 HG11 :: 1.1186 HG12 :: 1.1186 HG13 :: 1.1186 HG21 :: 1.2030 HG22 :: 1.2030 HG23 :: 1.2030 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.5603 Ave N Shift Values>> N :: 121.14(4.54) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.27 R 0.13 A 0.07 G 0.05 C Shift Assignments>> C :: 176.8790 CA :: 54.9320 CB :: 42.9955 CG :: 26.8940 CD1 :: 22.5430 CD2 :: 25.9065 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0775 HA :: 4.4959 HB2 :: 1.5595 HB3 :: 1.5595 HG :: 1.7261 HD11 :: 0.7332 HD12 :: 0.7332 HD13 :: 0.7332 HD21 :: 0.7955 HD22 :: 0.7955 HD23 :: 0.7955 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.5673 Ave N Shift Values>> N :: 121.86(3.9) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.65 T 0.34 C Shift Assignments>> C :: 173.6105 CA :: 58.0207 CB :: 66.8690 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8979 HA :: 4.8225 HB2 :: 3.9381 HB3 :: 4.4062 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.3543 Ave N Shift Values>> N :: 116.28(3.52) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.35 M 0.12 K 0.03 Q 0.03 I 0.01 C Shift Assignments>> C :: 176.5417 CA :: 55.8159 CB :: 30.5113 CG :: 36.5329 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3521 HA :: 4.5205 HB2 :: 1.9178 HB3 :: 2.2134 HG2 :: 2.3051 HG3 :: 2.3629 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.8170 Ave N Shift Values>> N :: 120.67(3.48) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 176.2265 CA :: 62.5638 CB :: 38.1431 CG1 :: 28.5528 CG2 :: 17.7669 CD1 :: 13.5574 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.3520 HA :: 4.0302 HB :: 1.6480 HG12 :: 0.8677 HG13 :: 1.5246 HG21 :: 0.7148 HG22 :: 0.7148 HG23 :: 0.7148 HD11 :: 0.7536 HD12 :: 0.7536 HD13 :: 0.7536 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.2636 Ave N Shift Values>> N :: 121.46(4.28) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 M 0.21 Q 0.05 K 0.02 C Shift Assignments>> C :: 174.6674 CA :: 55.8545 CB :: 31.1250 CG :: 36.1516 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.9002 HA :: 4.4224 HB2 :: 1.7239 HB3 :: 1.9482 HG2 :: 2.2317 HG3 :: 2.3967 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 129.6829 Ave N Shift Values>> N :: 120.67(3.48) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.42 R 0.13 G 0.01 C Shift Assignments>> CA :: 57.6074 CB :: 34.2600 CG :: 25.0062 CD :: 29.3465 CE :: 42.3304 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9247 HA :: 4.2120 HB2 :: 1.6482 HB3 :: 1.7712 HG2 :: 1.2995 HG3 :: 1.2995 HD2 :: 1.5711 HD3 :: 1.5711 HE2 :: 2.8736 HE3 :: 2.8736 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.7496 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 105 #Clerical: 0 #Suspicious: 8 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 113 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 113 #Suspicious: 1 C Shift Results: #Consistent: 505 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 796 #Duplicate: 0 #Unknown: 0 #Suspicious: 20 #Anomalous: 1 N Shift Results: #Consistent: 122 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F13 HE1 = 6.0591(S), Expected = 7.08, Std = 0.3100, ChiSquare = 9.9045e-04 1.Y32 H = 5.8760(S), Expected = 8.32, Std = 0.7300, ChiSquare = 8.1413e-04 1.L37 HB2 = -0.0039(S), Expected = 1.61, Std = 0.3400, ChiSquare = 2.0670e-06 1.L37 HD11 = -0.3547(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9681e-05 1.L37 HD12 = -0.3547(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9681e-05 1.L37 HD13 = -0.3547(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9681e-05 1.L37 HD21 = -0.9303(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.0333e-08 1.L37 HD22 = -0.9303(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.0333e-08 1.L37 HD23 = -0.9303(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.0333e-08 1.S43 HB2 = 3.0108(S), Expected = 3.88, Std = 0.2500, ChiSquare = 5.0744e-04 1.L49 H = 11.4088(S), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0060e-06 1.M54 HB2 = 0.5853(S), Expected = 2.03, Std = 0.3400, ChiSquare = 2.1461e-05 1.M54 HB3 = -0.1674(S), Expected = 1.99, Std = 0.3400, ChiSquare = 2.2200e-10 1.M54 HG2 = 0.5220(S), Expected = 2.42, Std = 0.3500, ChiSquare = 5.8654e-08 1.R73 HG2 = -0.9569(A), Expected = 1.57, Std = 0.2700, ChiSquare = 8.0580e-21 1.R73 HG3 = -0.2477(S), Expected = 1.54, Std = 0.2900, ChiSquare = 7.0714e-10 1.R73 HD2 = 1.7955(S), Expected = 3.12, Std = 0.2400, ChiSquare = 3.4142e-08 1.R73 HD3 = 1.1710(S), Expected = 3.10, Std = 0.2600, ChiSquare = 1.1780e-13 1.R73 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.K77 HB3 = 0.0321(S), Expected = 1.74, Std = 0.2700, ChiSquare = 2.5232e-10 1.N106 HB2 = 1.4763(S), Expected = 2.81, Std = 0.3100, ChiSquare = 1.6907e-05 1.N106 HB3 = 1.2784(S), Expected = 2.75, Std = 0.3300, ChiSquare = 8.2192e-06